Authors: Milad Yazdani, Shahriar Shalileh, Dena Shahriari
Abstract: Kirigami is an increasingly useful fabrication method to produce shape-programmable metamaterial structures. However, inverse design remains difficult because deployment is nonlinear, and feasible cut layouts must satisfy discrete compatibility rules, avoid overlap, and map one target shape to valid designs. We present RL-Kirigami, an inverse design framework that combines optimal-transport conditional flow matching (OT-CFM) with reinforcement learning to generate compatible ratio fields for compact reconfigurable parallelogram quad kirigami. A marching decoder enforces global geometric compatibility, and Group Relative Policy Optimization (GRPO) aligns the generator with nondifferentiable rewards for silhouette matching, feasibility, and ratio-field regularity. Across procedurally generated target shape instances, a single sample from the pretrained OT-CFM prior reached $94.2%$ sIoU and outperformed solver baselines while reducing forward simulator evaluations from hundreds to 1. GRPO improved accuracy to $94.91%$ sIoU and, with regularity included, reduced $\mathrm{TV}(\mathbf{x})$ from 0.95 to 0.81 while maintaining $94.83%$ sIoU. Generated layouts were exported to DXF and laser-cut in $50~\mu\mathrm{m}$ polymeric sheets to produce deployable prototypes in $8.0 \pm 1.0$ minutes per part. These results support a manufacturing-aware inverse design workflow for deployable kirigami metamaterials under hard geometric feasibility constraints.
Authors: Claudio Meggio, Johan Pensar, Riccardo De Bin
Abstract: We propose PathBoost, a gradient tree boosting method for graph-level classification and regression that learns discriminative path-based features directly from the input graph structure. Building on a previous work, which was tailored to a specific chemistry application, PathBoost introduces three key extensions: (i) adaptation to binary classification through gradient boosting with a logistic loss, (ii) incorporation of multiple node and edge attributes into the path feature space via a prefix-based decomposition, and (iii) automatic anchor node selection based on categorical attribute diversity, eliminating the need for the user to specify the starting point of the considered path features. We compared PathBoost to graph neural networks and graph kernel approaches on several benchmark datasets, obtaining better results in half of them, and comparable results in the rest. PathBoost shows better performances on graphs with larger average node counts. Overall, the results demonstrate that path-based boosting methods can be competitive with more complex black-box approaches.
Authors: Vanya Aziz, Ivo Nowak, E. M. T Hendrix
Abstract: This paper explores the application of the Soft Actor-Critic (SAC) algorithm within a Distributional Reinforcement Learning setting and introduces an implementation of such algorithm named Cram\'er-based Distributional Soft Actor-Critic (C-DSAC). The novel approach employs distributional reinforcement learning to represent state-action values, and minimizes the squared Cram\'er distance for learning the distribution. Empirical results across various robotic benchmarks indicate that our algorithm surpasses the performance of baseline SAC and contemporary distributional methods, with the performance advantage becoming increasingly pronounced in high-complexity environments. To explain the efficiency of the new approach, we conduct an analysis showing that its superior performance is partly due to \textit{confidence-driven} Q-value updates: High-variance target distributions (low confidence in target) lead to more conservative model updates, thereby attenuating the impact of overestimated values. This work deepens the understanding of distributional reinforcement learning, offering insights into the algorithmic mechanisms governing convergence and value estimation.
Authors: Jesse Ward-Bond, Ali Mashadian, Timothy C. Y. Chan, Edmond W. K. Young
Abstract: Inertial microfluidic devices (IMDs) offer low-cost, high-throughput alternative techniques for many traditional particle- (or cell-) manipulation tasks, but simulating them requires being able to predict particle migration, and thus particle lift forces, under a variety of possible channel geometries. Recent work has demonstrated that machine learning models can be used to drastically speed up these numerical simulations, but doing so required training individual models for every unique channel cross-section type (e.g., rectangular, triangular) -- shifting the burden from the simulation step to the training step. In this paper, we develop a novel approach for predicting particle lift forces that contains no explicit geometric parameters. We train a neural network model using a new parameter set and show that while it performs comparably to existing models on channel geometries in the training set, it is able to generalize to unseen channel geometries far more effectively. We show that the lift force model developed herein can be easily transferred to particle tracing simulation software, where it is capable of predicting particle migration patterns consistent with the literature across a variety of channel designs.
Authors: Dario Coscia, Sindy L\"owe, Max Welling
Abstract: Low-Rank Adaptation (LoRA) has become the standard for fine-tuning large pre-trained models at reduced computational cost. However, its low-rank point-estimate updates limit expressiveness, leave a persistent gap relative to full fine-tuning accuracy, and provide no built-in uncertainty quantification, limiting its applicability in settings where reliability matters as much as accuracy. We introduce BaLoRA, a Bayesian extension of LoRA with a novel input-adaptive Bayesian parameterization of LoRA matrices that adds minimal parameters and compute. Surprisingly, not only does the Bayesian extension yield well-calibrated uncertainty estimates, but the adaptive noise injection underlying our approach also significantly improves prediction accuracy, narrowing the gap with full fine-tuning across both natural language reasoning and vision tasks. When applied to band gap prediction in metal-organic frameworks, BaLoRA produces zero-shot test-time uncertainty estimates that correlate more strongly with model error than a trained ensemble of LoRA models, and improve monotonically with compute without sacrificing accuracy.
Authors: Omar Faruque, Sahara Ali, Xue Zheng, Jianwu Wang
Abstract: The widespread availability of complex time series data in various domains such as environmental science, epidemiology, and economics demands robust causal discovery methods that can identify intricate contemporaneous and lagged relationships in non-stationary, nonlinear, and noisy settings. Existing constraint-based methods often rely heavily on conditional independence tests that degrade for limited data samples and complex distributions, while score-based methods impose strong statistical assumptions. Recent methods address special cases such as change point detection or distribution shifts, but struggle to provide a unified solution. We propose the Transformer Integrated Temporal Causal Discovery (TTCD) Framework, a novel end-to-end approach that learns contemporaneous and lagged causal relations from non-stationary time series. TTCD introduces a Non-Stationary Feature Learner integrating temporal and frequency-domain attention with dynamic non-stationarity profiling, and a custom Causal Structure Learner. A key innovation is reconstruction-guided causal signal distillation, to distill essential causal signals through the reconstruction process of the transformer decoder, which mitigates noise and spurious correlations while preserving meaningful dependencies. The Causal Structure Learner operates on distilled reconstructed signals to infer the underlying causal graph without restrictive assumptions on noise distributions or data generation processes. Experiments on synthetic, benchmark, and real world datasets show that TTCD consistently outperforms state-of-the-art baselines in both accuracy and consistency with domain knowledge, demonstrating the approach's effectiveness for causal discovery in challenging real world contexts.
Authors: Yaw Osei Adjei
Abstract: Accurate predictions of smallholder maize yields across national boundaries are critical for food security planning in sub-Saharan Africa, yet most published benchmarks report within-country performance that overstates true generalisability. This paper evaluates whether geospatial foundation model embeddings, specifically Prithvi-EO-1.0-100M and ViT-Base, outperform traditional Sentinel-2 spectral features under a Leave-One-Country-Out cross-validation scheme on 6,404 maize field observations from five African countries. The results show a clear generalisability gap: within-country random cross-validation yields moderate R^2 values, but all feature sets perform poorly under cross-country testing, with universally negative R^2. Frozen Prithvi-EO embeddings provide no meaningful advantage over engineered spectral features for cross-country prediction in this setting. The paper argues that the main limitation is a shift in yield distribution between countries rather than representation quality and releases a reproducible negative benchmark for future work.
Authors: Paolo D'Alberto
Abstract: We analyse three KV cache quantization schemes under a fair bit budget: \textbf{KV} (scalar MSE baseline), \textbf{KQV} (WHT + MSE on $K$; WHT + MSE + QJL on $V$), and \textbf{QKQV} (WHT + MSE + QJL on both). Starting from the Beta distribution on the hypersphere, we trace how QJL on $K$ inflates inner product variance by $\pi/2$, which softmax amplifies nonlinearly via Jensen's inequality, and we present statistical inference and information metrics to highlight practical differences. Three empirical findings emerge. (1)~At $n=4$ (the practically dominant budget), KQV wins on every measure -- KL divergence, geometric $K$ error, and 6D distance -- across all distributions and ranks tested. (2)~The K--V asymmetry is unconditional: QKQV is consistently worse than KQV in KL divergence at every budget and distribution. (3)~A budget-dependent crossover exists: QKQV achieves better geometric $K$ reconstruction at $n \in \{2,3,5\}$, KQV at $n \in \{4,6\}$, invariant to rank and tail weight -- an open rate-distortion problem. $\mathrm{KL}(p_{\mathrm{ref}} \| p_{\mathrm{quant}})$, K-only by construction, bridges K direction error to routing corruption and output collapse. We present a sufficient condition when the Jensen mechanism amplifies superlinearly through the softmax. At $n \in \{2,3,5\}$, QKQV wins geometrically because this assumption does not bind. At $n=4$, elevated K error and KL divergence for QKQV strongly suggest the Jensen mechanism is the operative cause of the crossover, providing a new perspective and explanation.
Authors: Amman Yusuf, Zhejun Jiang, Mijung Park
Abstract: Recent work on text diffusion models offers a promising alternative to autoregressive generation, but controlling their safety remains underexplored. Existing safety approaches are geared toward autoregressive models and typically rely on post-hoc filtering or inference-time interventions. These are inadequate for effectively addressing safety risks in text diffusion models. We propose the Safety-Aware Denoiser (SAD), a safety-guidance framework in text diffusion models. The SAD modifies the iterative denoising process such that the text sample at the final denoising step is steered toward provably safe regions of the text space. This inference-time method can integrate safety constraints into the denoiser, avoiding computationally expensive retraining of the underlying diffusion model and enabling flexible, lightweight safety guidance. We evaluate the safety of the generated text using the SAD, with respect to hazard taxonomy, memorization, and jailbreak. Experimental results show that SAD substantially reduces unsafe generations while preserving generation quality, diversity, and fluency, outperforming existing methods. These results demonstrate that our safety guidance during denoising provides an effective and scalable mechanism for enforcing safety in text diffusion models.
Authors: Yongzhong Xu
Abstract: Tian (2025) proves a repulsion theorem (Theorem 6) for the matrix $ B = (\widetilde{F}^\top \widetilde{F} + \eta I)^{-1} $ during the interactive feature-learning stage of grokking: similar features have negative off-diagonal entries $ B_{j\ell} $, producing an effective repulsive force that drives them apart. However, the theorem does not specify when this mechanism becomes empirically observable, nor whether it leaves a measurable spectral signature in the parameter updates. We test this directly on Tian's modular addition setup ($ M = 71 $, $ K = 2048 $, MSE loss) and observe a clear structure-mechanism dissociation. The predicted sign rule holds robustly on the top-200 most-similar feature pairs across activations (empirical sign-match rising from 0.865 to 0.985 on $ \sigma = x^2 $ across 5 seeds, and saturating at 1.000 on $ \sigma = \operatorname{ReLU} $). However, the spectral signature in the parameter updates is strongly activation-dependent. With $ \sigma = x^2 $, a simple slope detector on the rolling eigengap $ \sigma_2 / \sigma_3 $ of $ \Delta W $ fires in 15/15 grokking seeds at epoch 174 (IQR [173,174]) and in 0/15 non-grokking controls, with 229$ \times $ late-stage magnitude separation; the spectrum is rank-2. In contrast, with $ \sigma = \operatorname{ReLU} $, the detector never fires and the spectrum remains effectively rank-1. This dissociation aligns with Tian's Theorem 5 distinction between focused (power-law) and spreading (ReLU) memorization: while the sign structure of $ B $ depends only on $ \widetilde{F}^\top \widetilde{F} $, how feature repulsion translates into weight updates critically depends on the activation derivative $ \sigma' $.
Authors: Dylan Forde
Abstract: We study long-context balanced entropic optimal transport (OT) attention on TPU hardware through a stopped-base, fixed-depth tail-refinement surrogate. After a stopped $T$-step Sinkhorn solve, we unroll a short refinement tail and differentiate that surrogate exactly. For the production $R=2$ case, the backward pass contains four staircase plan factors. We prove an exact one-reference-tile schedule: the $R=2$ score cotangent is a single reference plan tile times an explicit modifier field built from vector cotangents and dual differences. This yields block-wise cost $O((T+R)LW)$, $O(Ld)$ input storage, and $O(L)$ additional HBM usage for fixed head dimension $d$ and band width $W$. We also formalize the current \texttt{dustbin\_block} path as the same balanced surrogate on an augmented support, so the schedule lifts to the gap-aware transport path used in our TPU runs. We provide a local surrogate-bias bound, an a posteriori bias certificate, and a projective contraction certificate for strictly positive active blocks. On synthetic masked problems, the optimized kernel matches exact autodiff of the same centered surrogate to within $10^{-5}$--$10^{-10}$. On TPU v6e-8, a four-configuration Pfam screen completes end-to-end, and a promoted balanced $R=2$ run sustains roughly $8.5$ examples per second through a three-hour budget, reaching step $1437$. Held-out Pfam test shards improve reconstruction from $3.17$ to $0.99$ and sparse CE from $5.86$ to $5.69$ relative to step $0$. These results support exact fixed-depth backward theory, a theorem-matching gap-aware bridge, and trainability evidence for the production path.
Authors: Jiaxin Qi, Hang Li, Yan Cui, Yuhua Zheng, Jianqiang Huang
Abstract: Gene Regulatory Network (GRN) inference is essential for understanding complex cellular mechanisms, rendered tractable through single-cell transcriptomic data. With the emergence of single-cell Foundation Models (scFMs), enhanced transcriptomic encoding is widely expected to revolutionize GRN inference. However, we observe that their performance remains far from satisfactory. The primary reason is that the standard reconstruction-based pre-training objectives often fail to explicitly capture latent regulatory signals. To bridge this gap, we first introduce a GRN generalization benchmark designed to evaluate regulatory predictions on unseen genes and datasets, which relies on the zero-shot capabilities of scFMs and is inherently challenging for traditional methods. Furthermore, to unlock the regulatory knowledge within the foundation models, we propose two novel methods, Virtual Value Perturbation and Gradient Trajectory, to distill implicit regulatory information from scFMs into highly generalizable inter-gene features. Extensive experiments demonstrate that our approach significantly outperforms existing methods, establishing a new paradigm for leveraging the potential of scFMs in universal GRN inference.
Authors: Chao Tang, Jianzong Wu, Qingyu Shi, Ye Tian, Aixi Zhang, Hao Jiang, Jiangning Zhang, Yunhai Tong
Abstract: Unified multimodal understanding and generation models enable richer human-AI interaction. Yet jointly customizing a character's persona, dialogue style, and visual identity while maintaining output consistency across modalities remains largely unexplored. To mitigate this gap, we introduce a new task, Customized Multimodal Role-Play (CMRP). We construct the RoleScape-20 dataset comprising 20 characters, including training and evaluation data that cover persona, stylistic descriptions, visual/expressive cues, and text-image interactions. Building on a unified model, we devise UniCharacter, a two-stage training framework containing Unified Supervised Finetuning (Unified-SFT) and character-specific group relative policy optimization (Character-GRPO). Given only 10 images plus corresponding interaction examples, the model acquires the target character and exhibits coherent persona, style, and visual identity in both generated text and images. This process takes about 100 GPU hours. Experiments on the RoleScape-20 dataset show that the proposed method substantially outperforms prior approaches. Ablation studies further validate the effectiveness of our cross-modal consistency design and few-shot customization strategy. We argue that CMRP, coupled with unified modeling, provides a basis for next-generation characterful and immersive interactive agents.
Authors: Reda Belaiche
Abstract: We present a framework for the simultaneous symbolic recovery of a function and its antiderivative from data. The framework rests on three ideas. First, a derivative algebra: the observation that the product rule $\frac{d}{dx}[f \cdot g] = f'g + fg'$ and the chain rule, applied to a seed set of elementary functions, generate a self-expanding system of function-derivative pairs -- a living library that grows each time a new function is discovered. Second, two complementary primitives -- EML$\,(e^u - \ln v)$, which is theoretically complete for all elementary functions, and SOL$\,(\sin u - \cos v)$, introduced here, which makes trigonometric atoms available at depth~1 instead of depth~$\sim$8 -- that seed the library with core atoms cheaply. Third, additive atomic forests: finite sums of primitive trees, optionally composed via multiplicative nodes, whose derivatives are fitted to data by continuous optimisation or by exhaustive search over the library. Because differentiation of each atom is determined by construction, the forest simultaneously encodes a symbolic expression $F$ and its derivative $F'$; no symbolic integration step is required. The library is not a fixed object: it self-constructs from a small seed set by recursive application of the product rule, chain rule, and the two primitives, and it can grow as newly discovered functions are folded back in. The larger the library, the richer the expressible class of candidate functions. We give conditional completeness, additive-depth, and analytic simultaneous-recovery results for the framework. Empirically, in our reported runs on 17 classification benchmarks, sparse atom combinations match or exceed XGBoost on 13 datasets while producing interpretable formulas.
Authors: Yue Mao, Shicheng Liu, Siyuan Xu, Minghui Zhu
Abstract: Inverse reinforcement learning (IRL) learns a reward function and a corresponding policy that best fit the demonstration data of an expert. However, in the current IRL setting, the learner is isolated from the expert and can only passively observe the expert demonstrations. This limits the applicability of IRL to interactive settings, where the learner actively interacts with the expert and needs to infer the expert's reward function from the interactions. To bridge the gap, this paper studies interactive IRL (IIRL) where a learner aims to learn the reward function of an expert and a policy to interact with the expert during its interactions with the expert. We formulate IIRL as a stochastic bi-level optimization problem where the lower level learns a reward function to explain the behaviors of the expert, and the upper level learns a policy to interact with the expert. We develop a double-loop algorithm, Bi-level Interactive Scenarios Inverse Reinforcement Learning (BISIRL), which solves the lower-level problem in the inner loop and the upper-level problem in the outer loop. We formally guarantee that BISIRL converges and validate our algorithm through extensive experiments.
Authors: Natalia Frumkin, Bokun Wang, Hung-Yueh Chiang, Chi-Chih Chang, Mohamed S. Abdelfattah, Diana Marculescu
Abstract: Diffusion Large Language Models (dLLMs) have emerged as a promising alternative to auto-regressive (AR) models, offering greater expressive capacity and potential for parallel generation and faster inference. However, open-source dLLMs remain immature, lagging behind AR models in both efficiency and quality. We identify an underexplored property of dLLMs: *token-wise redundancy* in bi-directional self-attention. Self-attention activations are highly correlated across tokens, and temporal changes in query representations can predict redundancy in corresponding key, value, and output activations. We introduce DARE, with two complementary mechanisms: DARE-KV, which reuses cached key-value (KV) activations, and DARE-O, which reuses output activations to reduce redundant computation while preserving quality. DARE achieves up to 1.20x per-layer latency reduction and reuses up to 87% of attention activations, with negligible degradation on reasoning and code-generation benchmarks. DARE-KV and DARE-O incur average performance drops of only 2.0% and 1.2%, respectively. Combined with techniques such as prefix caching and Fast-dLLM, DARE provides additive gains without retraining. These results establish token-wise reuse as an effective strategy for improving the efficiency of diffusion-based LLMs while preserving generation fidelity. Code: https://github.com/enyac-group/DARE
Authors: Yoshimasa Kubo
Abstract: Equilibrium propagation (EP) is a biologically plausible alternative to backpropagation (BP), but its effectiveness can degrade in deeper and more challenging learning settings. In parallel, dendritic neural networks have demonstrated improved performance and generalization when trained with BP, suggesting that structured, biologically inspired architectures may enhance learning. In this work, we investigate the integration of dendritic neural networks with equilibrium propagation using an advanced EP framework. We evaluate the proposed dendritic EP model on MNIST, Kuzushiji-MNIST (KMNIST), and Fashion-MNIST (FMNIST), considering both shallow and deeper architectures. Our results show that dendritic EP achieves performance comparable to standard EP on simple tasks, while providing consistent improvements on more challenging datasets and deeper models. In particular, dendritic EP significantly outperforms standard EP on KMNIST and FMNIST, and approaches the performance of dendritic networks trained with backpropagation through time.To further understand these improvements, we analyze the evolution of hidden states during the free phase. We observe that dendritic EP exhibits higher activation magnitudes and more distributed hidden-state activity compared to standard EP, indicating that dendritic structure alters the internal network dynamics. These findings suggest that incorporating dendritic structure can enhance the effectiveness of biologically plausible learning algorithms, especially in regimes where standard EP struggles. Our work highlights the importance of architectural design for improving biologically inspired training methods.
Authors: Plawan Kumar Rath, Rahul Maliakkal
Abstract: Weight pruning is widely advocated for deploying Large Language Models on resource-constrained IoT and edge devices, yet its impact on model fairness remains poorly understood. We conduct a controlled empirical study of three instruction-tuned models (Gemma-2-9b-it, Mistral-7B-Instruct-v0.3, Phi-3.5-mini-instruct) across three pruning methods (Random, Magnitude, Wanda) at four sparsity levels (10-70%) on 12,148 BBQ bias benchmark items with 5 random seeds, totaling 2,368,860 inference records. Our results reveal a Smart Pruning Paradox: activation-aware pruning (Wanda) preserves perplexity nearly perfectly (just 3.5% increase at 50% sparsity for Mistral-7B), yet produces the highest bias amplification, with Stereotype Reliance Score increasing 83.7% and 47-59% of previously unbiased items developing new stereotypical behaviors at 70% sparsity. Random pruning destroys language capability entirely (perplexity exceeding $10^4$ and reaching $10^8$) but produces only random-chance bias. We further show that unstructured pruning provides zero storage savings and zero inference latency reduction on real edge hardware, undermining the primary motivation for its use in IoT deployment. Of 180 dense-vs-pruned comparisons, 141 (78.3%) are significant ($p < 0.05$) with mean $|h| = 0.305$. Published quantization studies report up to 21% of responses flipping between biased and unbiased states; our pruning results show transition rates nearly three times higher (47-59%), suggesting pruning poses a categorically greater risk to alignment than quantization. These findings demonstrate that perplexity-based evaluation provides false assurance of behavioral equivalence, and that IoT deployment pipelines require bias-aware validation before deploying pruned models at the edge.
Authors: Zhichao Shi, Cehao Yang, Hao Zhou, Xiaojun Wu, Huajie Li, Xuhui Jiang, Chengjin Xu, Yuanzhuo Wang, Jian Guo
Abstract: Synthetic data has emerged as a crucial solution to the data scarcity bottleneck in large language models (LLMs), particularly for specialized domains and low-resource languages. However, the broader adoption of existing synthetic data tools is severely hindered by convoluted workflows, fragmented data standards, and limited scalability across modalities. To address these limitations, we develop DataArc-SynData-Toolkit, an open-source framework featuring: (1) a configuration-driven, end-to-end pipeline equipped with an intuitive visual interface and simplified CLI for exceptional usability; (2) a unified, quality-controllable synthesis paradigm that standardizes multi-source data generation to ensure high reusability; and (3) a highly modular architecture designed for seamless multimodal, multilingual, and multi-task adaptation. We apply the toolkit in multiple application scenarios. Experimental results demonstrate that our toolkit achieves an optimal balance between generation efficiency and data quality. By offering an end-to-end and visually interactive pipeline, DataArc-SynData-Toolkit significantly lowers the technical barrier to synthetic data generation and subsequent model training, accelerating its practical deployment in real-world applications.
Authors: Yanbiao Ma, Fei Luo, Linfeng Zhang, Chuangxin Zhao, Mingxuan Wang, Yinan Wu, Zhe Qian, Yang Lu, Long Chen, Zhao Cao, Xiaoshuai Hao, Ji-Rong Wen, Jungong Han
Abstract: Reasoning in large language models is predominantly evaluated through labeled benchmarks, conflating task performance with the quality of internal inference. Here we study reasoning as an intrinsic dynamical process by examining the evolution of internal representations during inference. We find that inference-time dynamics consistently self-organize into low-dimensional manifolds embedded within high-dimensional representation spaces. we find that such geometric compression, although pervasive, is not sufficient for stable or reliable reasoning. Instead, effective reasoning dynamics emerge within a constrained structural regime characterized by three conditions: adequate representational expressivity, spontaneous manifold compression, and preservation of non-degenerate information volume within the compressed subspace. Models outside this regime exhibit characteristic pathological inference dynamics. Based on these insights, we introduce a unified, label-free diagnostic computed solely from internal dynamics. These findings suggest that reasoning in LLMs is fundamentally governed by geometric and informational constraints, offering a complementary framework to benchmark-centric assessment.
Authors: Yuan Fang, Yi Xie, Xuming Ran
Abstract: Large language models encode vast factual knowledge that inevitably becomes outdated or incorrect after deployment, yet retraining is costly prohibitive, motivating model editing in lifelong settings that updates targeted behavior without harming the rest of the model. One line of work installs new facts by directly modifying base weights through locate-then-edit procedures, but accumulated edits progressively disrupt originally preserved knowledge, even with constraint-based projections. A complementary line leaves base weights intact and routes edits through external memory, but it faces routing challenges and its performance degrades at scale. We propose HoReN, a codebook-based parameter-preserving editor with enhanced routing built on three ideas. First, HoReN wraps a single MLP layer with a discrete key-value codebook, where each entry is interpreted simultaneously as a knowledge-memory key and a modern Hopfield stored pattern. Second, both keys and queries are projected onto the unit hypersphere so retrieval is governed by angular similarity, removing magnitude-driven mismatches between an edit prompt and its rephrasings. Third, the query is refined through damped Hopfield attractor dynamics, so paraphrases relax into the correct stored pattern's basin of attraction while unrelated queries remain undisturbed. HoReN achieves well-edited performance with consistent gains across diverse benchmarks spanning standard ZsRE, structured WikiBigEdit, and unstructured UnKE evaluations. Moreover, HoReN scales to 50K sequential edits on ZsRE with stable overall performance above 0.9, while prior editors collapse or degrade severely before reaching 10K. Our code is available at https://github.com/ha11ucin8/HoReN.
Authors: Fang Wu, Haokai Zhao, Da Xing, Hanqun Cao, Tinson Xu, Yanchao Li, Xiangru Tang, Zehong Wang, Aaron Tu, Kuan Pang, Hanchen Wang, Hongbin Lin, Zeqi Zhou, Yinxi Li, Peng Xia, Li Erran Li, Molei Tao, Jure Leskovec, Aditya Joshi, Yejin Choi
Abstract: Diffusion models have achieved remarkable success across a wide range of generative tasks, yet their training paradigm largely treats injected noise as uniformly informative. In this work, we challenge this assumption and introduce NoiseRater, a meta-learning framework for instance-level noise valuation in diffusion model training. We propose a parametric noise rater that assigns importance scores to individual noise realizations conditioned on data and timestep, enabling adaptive reweighting of the training objective. The rater is trained via bilevel optimization to improve downstream validation performance after inner-loop diffusion updates. To enable efficient deployment, we further design a decoupled two-stage pipeline that transitions from soft weighting during meta-training to hard noise selection during standard training. Extensive experiments on FFHQ and ImageNet demonstrate that not all noise samples contribute equally, and that prioritizing informative noise improves both training efficiency and generation quality. Our results establish noise valuation as a complementary and previously underexplored axis for improving diffusion model training. Our code is available at: https://anonymous.4open.science/r/NoiseRater-DEB116.
Authors: Harshavardhan
Abstract: Sparse Autoencoders (SAEs) decompose large language model representations into interpretable features, but how these features interact under uncertainty remains poorly understood. We introduce Feature Rivalry -- negatively correlated SAE feature pairs -- and study whether rivalry serves as a mechanistic signature of model uncertainty in Gemma-2-2B using Gemma Scope SAEs. Through a controlled within-domain experiment on PopQA split by response entropy, we find that high-entropy questions produce significantly stronger feature rivalry at layers 0 and 12 relative to low-entropy questions (p=5.3x10^-26 and p=5.8x10^-5 respectively), localizing uncertainty to specific processing stages in the residual stream. We then test whether rivalry is causally upstream of model outputs via activation steering along rivalry axes -- finding that steering along the rivalry direction (vec_A - vec_B) causes more output changes than random directions at low steering multipliers across 15 of 20 rival feature pairs. Finally, a per-prompt rivalry score derived from pairwise cosine similarities of active SAE feature decoder vectors predicts answer correctness (AUROC=0.689), approaching but not matching softmax confidence (AUROC=0.808).
Authors: Jonathan Bates
Abstract: We present a PyTorch package that compiles neural networks and their weights from Turing machine descriptions, producing models that exactly simulate the specified machine without any training. Given a transition function and a set of terminal states, the package constructs a model whose forward pass corresponds to one step of the Turing machine. Two architectures are implemented, each realizing a different theoretical result: (1) a transformer with self-attention, cross-attention, and feedforward layers based on Wei, Chen, and Ma (2021), and (2) a recurrent network based on Siegelmann and Sontag (1995) that encodes the stack in a Cantor set. We develop the constructions from first principles, showing how ReLU networks implement Boolean circuits (AND, OR, NOT, XOR gates and their composition into DNF formulas and binary adders) and how hard attention implements positional lookup on the tape. The package serves as a concrete, runnable reference for the symbolic-neural bridge, and as a foundation for future work on the stability of constructed solutions under gradient-based optimization. Code is available at https://github.com/jonrbates/turing.
Authors: Chuwen Pang, Bing Mi, Kongyang Chen
Abstract: With the rapid development of machine learning applications on time-series data, accurately assessing the value of training samples has become essential for data selection, noise detection, and model optimization. However, traditional data valuation methods usually assume that samples are independent and identically distributed, and thus ignore the time-varying nature of sample value in time-series data. This paper proposes an improved temporal Shapley data valuation method that enables accurate sample valuation for time-series data through a temporal decay mechanism and a multi-scale fusion strategy. Specifically, we propose three progressively enhanced temporal Shapley methods. Temporal-Decay Shapley (TDS) incorporates temporal information into Shapley value computation through exponential decay weights; the improved TDS adopts power exponential decay to better adapt to nonlinear temporal drift; and Multi-Scale Temporal-Decay Shapley (MS-TDS) constructs a multi-scale fusion mechanism that balances the value of short-term hotspot samples and long-term foundational samples through parallel multi-scale valuation and sample-level adaptive fusion. Experimental results show that the proposed methods generally outperform traditional methods in noise detection and high-value data identification tasks, with more evident advantages under most strongly temporal settings, thereby effectively improving the accuracy and robustness of data valuation.
Authors: Nicole Hao
Abstract: Neural operators have emerged as a powerful tool for learning mappings between infinite-dimensional function spaces. However, their approximation properties in Sobolev norms remain poorly quantified, even though these norms control both function values and derivatives and are the natural metrics for PDE well-posedness, stability, and generalization. We develop a functional-analytic framework for operator learning in Sobolev spaces and connect it to the numerical behavior of Fourier Neural Operators (FNOs) on a prototypical PDE. First, for a continuous nonlinear operator $\mathcal{G}: H^{s}(D)\to H^{t}(D')$ with $s > d/2$ and inputs restricted to a compact subset of $H^{s}(D)$, we prove that $\mathcal{G}$ can be uniformly approximated in $H^{t}$-norm by a neural operator with $\mathcal{O}(\varepsilon^{-d/s})$ trainable parameters. This yields an explicit complexity--error relation of the form $\|\mathcal{G}-\mathcal{G}_\theta\|_{H^{t}} \lesssim C N^{-s/d}$. We then study the one-dimensional viscous Burgers solution operator $\mathcal{G}: u_{0}\mapsto u(\cdot,1)$ on a bounded $H^{1}$-ball and train FNOs with an $H^{1}$-loss. Across a sweep of model sizes, we obtain test $H^{1}$-errors down to $\mathcal{O}(10^{-7})$ and relative errors of order $10^{-3}$, with predictions accurately matching both solutions and spatial derivatives on held-out data. A log-log plot of Sobolev error versus parameter count exhibits an approximate power law $\|\mathcal{G}-\mathcal{G}_\theta\|_{H^{1}} \approx C N^{-\alpha}$ with empirical exponent $\alpha \approx 1.4$, and long-horizon training reveals optimization instabilities in large FNOs, providing quantitative evidence that Sobolev-space approximation theory meaningfully predicts neural-operator scaling behavior.
Authors: Lurong Pan
Abstract: Background and motivation. The Communication Dynamics (CD) framework, introduced in two earlier papers for atomic-energy prediction and field-induced superconductivity, treats each physical channel as a (2l+1)-vertex polygon whose discrete Fourier transform yields its energy spectrum. This paper applies the same circulant-spectral machinery to neural-network design. Layer construction. CDLinear is a block-circulant linear layer with block size B = 2l+1 and 1/B the parameter count of a dense layer of equal input/output dimensions. Three properties follow from the construction. (i) The Hessian of mean-squared loss with respect to the weights is diagonalized by the discrete Fourier transform, with eigenvalues |F[Xj](k)|^2 read directly from the input statistics (Theorem 1). (ii) Under input pre-whitening, the population Hessian condition number satisfies kappa = 1 exactly, with the empirical condition number bounded by 1+O(sqrt(B/N)) on N samples (Theorem 2). (iii) The Shannon noise rate alpha_CD = 0.0118 calibrated in the parent CD papers from the Na D-doublet specifies a transferable, non-arbitrary dropout rate. Empirical evaluation. A CDLinear MLP at B = 4 achieves 97.50% +/- 0.23% test accuracy with 2,380 parameters versus 98.15% +/- 0.47% for a parameter-matched dense MLP at 8,970 parameters, a 3.8x parameter reduction at 0.65% accuracy cost, within one standard deviation of the seed-to-seed spread. The CD-MLP mean Hessian condition number kappa = 1.9x10^4 is 310x smaller than the dense baseline kappa = 5.9x10^6, in quantitative agreement with Theorem 2.
Authors: Jingze Ge, Xue Geng, Yun Liu, Wanqi Dong, Wang Zhe Mark, Min Wu, Ngai-Man Cheung, Bharadwaj Veeravalli, Xulei Yang
Abstract: To mitigate the memory constraints associated with fine-tuning large pre-trained models, existing parameter-efficient fine-tuning (PEFT) methods, such as LoRA, rely on low-rank updates. However, such updates fail to fully capture the rank characteristics of the weight modifications observed in full-parameter fine-tuning, resulting in a performance gap. Furthermore, LoRA and other existing PEFT methods still require substantial memory to store the full set of frozen weights, limiting their efficiency in resource-constrained settings. To addres these limitations, we introduce Cumulative Energy-Retaining Subspace Adaptation (CERSA), a novel fine-tuning paradigm that leverages singular value decomposition (SVD) to retain only the principal components responsible for 90% to 95% of the spectral energy. By fine-tuning low-rank representations derived from this principal subspace, CERSA significantly reduces memory consumption. We conduct extensive evaluations of CERSA across models of varying scales and domains, including image recognition, text-to-image generation, and natural language understanding. Empirical results demonstrate that CERSA consistently outperforms state-of-the-art PEFT methods while achieving substantially lower memory requirements. The code will be publicly released.
Authors: Raul Felipe-Sosa, Angel Martin del Rey, Maria Flores Ceballos
Abstract: We introduce \emph{Dynamical Physics-Modeled Neural Networks} (DynPMNNs), a continuous-time deep learning architecture in which each hidden layer is defined as the solution of an ordinary differential equation. Unlike classical feed-forward networks, this approach replaces static activation functions with time-evolving dynamical systems, providing a biologically inspired interpretation of hidden-layer behavior and enabling the integration of physically meaningful models. The framework is rigorously grounded in Reproducing Kernel Banach Spaces (RKBSs), allowing DynPMNNs to be characterized as finite-dimensional solutions of an abstract training problem and revealing structural connections with standard neural networks. We present a concrete implementation based on the FitzHugh--Nagumo model for neuronal activation, where numerical ODE solvers are embedded into the computational graph via Euler-type schemes. Both network weights and dynamical parameters are trained jointly. Through experiments on the California Housing dataset, we compare DynPMNNs with Neural ODEs (NODEs) and Closed-form Continuous-Time Networks (CfCs). Despite using fewer trainable parameters, DynPMNNs achieve competitive performance. These results position DynPMNNs as a principled bridge between dynamical systems and deep learning, with promising directions for further research in expressivity, stability, and physics-based modeling.
Authors: Yihang Peng, Peng Jin, Jie Gong, Xingyuan Chen, Lingjiao Xu, Ning Su, Yan Ran
Abstract: Parameter-efficient fine-tuning (PEFT) has become a practical route for adapting large language models to downstream tasks, with LoRA-style methods being particularly attractive because they are inexpensive to train and easy to deploy. Most LoRA variants, however, revise the update rule within the weight space of each layer and leave the intermediate representations formed by deeper layers largely unused. We propose Echo-LoRA, a cross-layer representation injection method for parameter-efficient fine-tuning. During training, Echo-LoRA collects boundary hidden states from deeper source layers, aggregates them into a sample-level echo representation, and uses lightweight projection and gating networks to inject the resulting signal into shallow LoRA or DoRA modules. Answer-only masking, masked distillation, and stochastic routing are used to keep this auxiliary path stable and to reduce the gap between training and inference. On eight commonsense reasoning benchmarks, Echo-LoRA exceeds the reported LoRA baselines by 5.7 percentage points on average across LLaMA-7B, LLaMA2-7B, and LLaMA3-8B. Under reproduced LoRA baselines in our unified implementation, the average gain is 3.0 points; when combined with DoRA, the gain is 2.7 points. The Echo path is discarded after training, so the deployed model keeps the original low-rank LoRA/DoRA form and adds neither inference-time parameters nor inference computation.
Authors: Zhongzheng Yuan, Lianshuai Guo, Xunkai Li, Wenyu Wang, Meixia Qu
Abstract: Federated Graph Learning (FGL) enables collaborative learning over distributed graph data, yet existing approaches largely rely on a closed-world assumption, limiting their applicability in dynamic environments where novel categories continuously emerge. To bridge this gap, we target the practical scenario of Federated Graph Generalized Category Discovery (FGGCD), aiming to collaboratively discover novel categories across decentralized graph clients while retaining knowledge of known categories. We observe that FGGCD introduces two fundamental challenges: (1) the Neighborhood Absorption Effect, where structural fragmentation leads to biased neighborhood aggregation, causing novel nodes to be misclassified as known categories; and (2) Global Semantic Inconsistency, where the aforementioned local biases propagate to the server and are amplified by heterogeneous subgraph distributions, hindering cross-client knowledge integration. To address these issues, we propose GCD-FGL, an FGL framework for GCD that integrates a client-side Topology-Reliable Semantic Alignment and Discovery process to mitigate the neighborhood absorption effect, and a server-side Hierarchical Prototype Alignment strategy to resolve global semantic inconsistency. Extensive experiments on five real-world graph datasets demonstrate that GCD-FGL consistently outperforms state-of-the-art baselines, achieving an average absolute gain of +4.86 in HRScore.
Authors: Zhaofan Zhang, Minghao Yang, Rufeng Chen, Sihong Xie, Hui Xiong
Abstract: Quantile-based distributional reinforcement learning methods learn return distributions through sampled quantile regression, but their bootstrapped target quantiles may induce distorted or degenerate distribution estimates. We propose Robust Quantile-based Implicit Quantile Networks (RQIQN), a lightweight Wasserstein distributionally robust enhancement boosted from a quantile estimation perspective. We first reinterpret a snapshot of IQN loss as a collection of local empirical quantile estimation problems over sampled current fractions. We then robustify each local slot with a Wasserstein distributionally robust quantile estimation formulation, yielding a closed-form, fraction-dependent correction to the Bellman target. This correction directly addresses distributional degeneration: its median antisymmetry preserves the risk-neutral quantile average, while its monotonicity enlarges upper-lower quantile gaps and counteracts collapsed distributional spread. RQIQN thus regularizes quantile geometry without changing the underlying value objective or requiring additional sample set reconstruction. Finally, we empirically show that the proposed RQIQN outperforms other existing quantile-based distributional reinforcement learning algorithms in risk-sensitive navigation and Atari games.
Authors: Ayoosh Bansal, Mikael Yeghiazaryan, Artyom Khachatryan, Tianyi Zhu, Hunmin Kim, Naira Hovakimyan, Lui Sha
Abstract: Autonomous systems increasingly rely on machine-learning (ML) components for safety-critical tasks such as perception and control in autonomous vehicles (AVs). While ML enables essential capabilities, it inevitably exhibits long-tail faults that make it unsuitable for safety-critical tasks. Runtime assurance (RTA) mitigates this issue by pairing ML components with verifiable safety monitors, e.g., Control Simplex and Perception Simplex architectures. However, the limited performance of safety monitors remains a major bottleneck. The Synergistic Simplex (SS) architecture improves system performance by enabling bidirectional integration between ML components and safety monitors while preserving formal safety guarantees. The key innovation here is allowing safety monitors to use ML outputs, which is typically prohibited in RTA systems. We formally derive conditions under which this integration preserves safety and demonstrate the performance benefits. We present the design, analysis, and evaluation of SS for AV obstacle detection.
Authors: Mergen Nachin, Digant Desai, Sicheng Stephen Jia, Chen Lai, Mengwei Liu, Jacob Szwejbka, Raziel Alvarez, RJ Ascani, Dave Bort, Manuel Candales, Andrew Caples, Yanan Cao, Zhengxu Chen, Soumith Chintala, Gregory Comer, Tanvir Islam, Songhao Jia, Tarun Karuturi, Jack Khuu, Abhinay Kukkadapu, Tugsbayasgalan Manlaibaatar, Andrew Or, Kimish Patel, Siddartha Pothapragada, Lucy Qiu, Supriya Rao, Orion Reblitz-Richardson, Max Ren, Scott Roy, Anthony Shoumikhin, Scott Wolchok, Guang Yang, Angela Yi, Martin Yuan, Hansong Zhang, Jack Zhang, Jerry Zhang, Shunting Zhang, C. Cagatay Bilgin
Abstract: Local execution of AI on edge devices is important for low latency and offline operation. However, deploying models on diverse hardware remains fragmented, often requiring model conversion or complete reimplementation outside the PyTorch ecosystem where the model was originally authored. We introduce ExecuTorch, a unified PyTorch-native deployment framework for edge AI. ExecuTorch enables seamless deployment of machine learning models across heterogeneous compute environments. It scales from embedded microcontrollers to complex system-on-chips (SoCs) with dedicated accelerators, powering devices ranging from wearables and smartphones to large compute clusters. ExecuTorch preserves PyTorch semantics while allowing customization, support for optimizations like quantization, and pluggable execution "backends". These features together enable fast experimentation, allowing researchers to validate deployment behavior entirely within PyTorch, bridging the gap between research and production.
Authors: Serafim Batzoglou
Abstract: Most causal benchmarks for language models score local answers or graph structure. We introduce ReplaySCM, a 1,300 item benchmark for executable causal mechanism induction from finite interventional evidence. Each item contains binary worlds generated by a latent fully observed acyclic Boolean structural causal model (SCM). A system must output a mechanism map in a restricted Boolean DSL; the submission is parsed, checked for legality and acyclicity, and replayed on training and held-out intervention worlds. Scoring uses replay behavior rather than formula strings, so syntactically different mechanisms receive credit when they behave correctly. ReplaySCM varies the structural information disclosed to the model through Ordered, Block-order, Hidden-order, and Hidden-roots settings, and includes Alternative-SCM tasks that supply a valid reference SCM and ask for a semantically distinct alternative that fits the training worlds, together with a separating intervention and witness. Frontier LLMs infer parts of the functional-parent structure, but held-out replay drops sharply when order or root structure is hidden. We also evaluate a matched support-audit ladder: Original, Extra Worlds, and Counterexample Audit (CEx), that raises mean local predecessor-pattern coverage from 0.8949 to 0.9815 to 1.0; under the audited searches, no discovered semantic alternative remains consistent with the training worlds. The Ordered/Hidden-order gap persists under this stronger evidence. ReplaySCM complements answer-level causal reasoning and graph-discovery benchmarks by evaluating executable replay generalization from finite interventional evidence, without claiming unique identification of the latent SCM.
Authors: Farjana Yesmin
Abstract: We present FairHealth, an open-source Python library that provides a unified, modular framework for trustworthy machine learning in healthcare applications, with particular focus on low-resource and low-income country (LMIC) settings such as Bangladesh. FairHealth addresses four critical gaps in existing healthcare AI toolkits: (1) the absence of integrated fairness auditing for biosignals and clinical tabular data; (2) the lack of privacy-preserving federated learning tools compatible with standard ML workflows; (3) missing explainability tools tailored for low-bandwidth clinical decision support; and (4) no existing toolkit covering Global South healthcare datasets. Built from five peer-reviewed research contributions, FairHealth provides six modules covering federated learning with homomorphic encryption (fairhealth.federated), intersectional fairness metrics (fairhealth.fairness), hybrid fuzzy-SHAP explainability (fairhealth.explain), multilingual dengue triage (fairhealth.lowresource), equitable disaster aid allocation (fairhealth.equity), and public dataset loaders (fairhealth.datasets). All datasets used are publicly available without institutional data use agreements. FairHealth is installable via pip install fairhealth(PyPI: pypi.org/project/fairhealth/) and available at https://github.com/Farjana-Yesmin/fairhealth.
Authors: Sparsh Tiwari, Bettina Finzel, Gesina Schwalbe
Abstract: Neurosymbolic systems promise to combine deep neural network's (DNN) processing of raw sensor inputs with few-shot performance of symbolic artificial intelligence. Two-stage approaches explicitly decouple DNN based perception from subsequent rule based reasoning. This avoids optimization and interpretability issues of end to end differentiable approaches, but requires costly labels for the perception output. This paper introduces an efficient weak supervision scheme for the perception stage to ground its output symbols for logical induction in object-centric reasoning tasks. It combines a slot-based architecture for object-centricity with a Variational Autoencoder (VAE) for self-supervision, competing with concept guidance on latent dimensions for human interpretable grounding. The resulting predictions are translated into symbolic background knowledge for reasoning frameworks, such as Inductive Logic Programming (ILP), Decision Trees, and Bayesian Networks. Our extensive empirical evaluation on synthetic and real world datasets shows that our approach can discover complex, abstract rules for object centric reasoning whilst reducing supervision to as little as 1% of labels, and being robust even under substantial domain shift. Notably, at 1% supervision it even outperforms state of the art foundation model baselines in domain generalization
Authors: Qingjun Wang, Hongtu Zhou, Hang Yu, Junqiao Zhao, Yanping Zhao, Chen Ye, Ziqiao Wang, Guang Chen
Abstract: Offline reinforcement learning (RL) faces a critical challenge of overestimating the value of out-of-distribution (OOD) actions. Existing methods mitigate this issue by penalizing unseen samples, yet they fail to accurately identify OOD actions and may suppress beneficial exploration beyond the behavioral support. Although several methods have been proposed to differentiate OOD samples with distinct properties, they typically rely on restrictive assumptions about the data distribution and remain limited in discrimination ability. To address this problem, we propose DOSER (Diffusion-based OOD Detection and Selective Regularization), a novel framework that goes beyond uniform penalization. DOSER trains two diffusion models to capture the behavior policy and state distribution, using single-step denoising reconstruction error as a reliable OOD indicator. During policy optimization, it further distinguishes between beneficial and detrimental OOD actions by evaluating predicted transitions, selectively suppressing risky actions while encouraging exploration of high-potential ones. Theoretically, we prove that DOSER is a $\gamma$-contraction and therefore admits a unique fixed point with bounded value estimates. We further provide an asymptotic performance guarantee relative to the optimal policy under model approximation and OOD detection errors. Across extensive offline RL benchmarks, DOSER consistently attains superior performance to prior methods, especially on suboptimal datasets.
Authors: Boyu Shi, Junbo Zhou, Chang Liu, Xu Yang, Qiufeng Wang, Xin Geng
Abstract: Deep learning methods are widely used under diverse resource constraints, resulting in models of varying sizes, such as the Vision Transformer (ViT) series. Deploying these models typically requires costly pretraining and finetuning. The Learngene paradigm addresses this issue by extracting transferable components, called learngenes, from a pretrained ancestry model (Ans-Net) to initialize variable-sized descendant models (Des-Nets).Existing learngene extraction methods rely on a single dataset, limiting downstream performance. To address this limitation, we propose Learngene Search Across Multiple Datasets for Building Variable-Sized Models (LSAMD). LSAMD expands the Ans-Net into a searchable super Ans-Net with dataset-specific blocks and dataset adapters (DADs). During training, LSAMD searches for an optimal architecture path for each dataset. The base blocks most frequently selected across datasets are extracted as learngenes for initializing Des-Nets.Experiments on multiple datasets show that LSAMD achieves performance comparable to pretrain-finetune methods while significantly reducing storage and training costs.
Authors: Anamaria Hell, Leander Thiele
Abstract: There is an increasing number of algorithmic computations in theoretical physics. These, while conceptually simple, can nevertheless be time-consuming and contain subtleties that should not be overlooked. Given the recent improvement of Large Language Models (LLM), it is natural to investigate whether LLMs equipped with a computer algebra system (CAS) runtime and sufficiently informative context can reliably carry out these algorithmic tasks. In this work, we interface Claude with Maple, and apply this framework to cosmological perturbations in modified theories of gravity. We demonstrate the current capabilities of this approach, the typical failures, and how the same can be improved. We find that a frontier LLM supplied with worked examples is able to solve most test problems.
Authors: Rishi Ahuja, Kumar Prateek, Simranjit Singh, Vijay Kumar
Abstract: Time Series Foundation Models (TSFMs) have borrowed the long context paradigm from natural language processing under the premise that feeding more history into the model improves forecast quality. But in stochastic domains, distant history is often just high-frequency noise, not signal. Hence, the proposed work tests whether this premise actually holds by running continuous context architectures (PatchTST included) through the ETTh1 benchmark. The obtained results contradict the premise: an inverse scaling law shows up clearly, with forecasting error rising as context gets longer. A 3,000-step window causes performance to drop by over 68%, evidence that attention mechanisms are poor at ignoring irrelevant historical volatility. Retrieval-Augmented Forecasting (RAFT) is evaluated as an alternative. RAFT achieves a mean squared error (MSE) of 0.379 with a fixed 720-step window and selective retrieval, outperforming both long-context configurations and zero-shot foundation models (Chronos, Moirai) despite requiring far less computation. In addition, the retrieval step injects only the most relevant historical segments as dynamic exogenous variables, which gives the model a context-informed inductive bias it cannot build on its own from raw sequences. Therefore, foundation models going forward need to shift architecturally toward selective retrieval.
Authors: Adam Szokalski, Mateusz Modrzejewski
Abstract: This paper proposes latent visualization by optimization (LVO), a mechanistic interpretability technique that extends feature visualization by optimization - originally developed for convolutional neural networks - to latent diffusion models. LVO employs sparse autoencoders (SAEs) to disentangle polysemantic layer representations into monosemantic features. Key contributions include latent-space optimization, time-step activity analysis, schedule-matched noise injection, prior initialization through feature steering, and suitable regularization strategies. We demonstrate the method on Stable Diffusion 1.5 fine-tuned on the Style50 dataset, showing that SAE features produce clear visualizations of recognizable concepts - including diagonal compositions, human figures, roses, cables, and waterfall foam - that correlate with dataset examples, while the baseline without disentanglement produces less coherent results. We further show that regularization techniques from pixel-space feature visualization transfer to the latent domain, though they require different configurations for the raw-layer and SAE variants. Compared to dataset examples and steering, LVO provides complementary insights by directly revealing what activates a feature rather than its downstream effects.
Authors: Michael Jerge, David Evans
Abstract: This paper presents NoisyCoconut, a novel inference-time method that enhances large language model (LLM) reliability by manipulating internal representations. Unlike fine-tuning methods that require extensive retraining, NoisyCoconut operates directly on model representations during inference and requires no retraining. Rather than training models to reason in latent space, we inject controlled noise into latent trajectories to generate diverse reasoning paths. Agreement among these paths provides a confidence signal, enabling models to abstain when uncertain. We demonstrate that this approach achieves effective coverage-accuracy tradeoffs across multiple reasoning benchmarks without requiring access to training data or modification of model parameters. This approach provides a practical pathway to improving the reliability of LLM outputs while maintaining compatibility with existing models. Our experiments show that unanimous agreement among noise-perturbed paths reduces error rates from 40-70% to below 15%, enabling models to exceed 95% accuracy on mathematical reasoning tasks through selective abstention.
Authors: Evelyn Trautmann, Jo\"el Federer-Gsponer, Markus C. Elze, Jos\'e-Tom\'as Prieto
Abstract: Federated techniques such as federated learning and federated analysis have emerged as a powerful paradigm for enabling multi-center research on sensitive clinical data while preserving patient privacy. In this study, we introduce a simulation framework that emulates a real-world federated research project focused on the analysis of multiple sclerosis (MS) patient data. The project comprises two components: an image segmentation task and a clinical data analysis task, where federated variants of survival analysis and Principal Component Analysis (PCA) are employed. To capture the complexity and heterogeneity of real clinical datasets, we construct a federation of high-fidelity synthetic cohorts designed to mirror MS-related clinical and demographic characteristics, while the imaging component leverages publicly available real-world datasets. Our simulation replicates key elements of authentic federated workflows, including distributed data governance, site-specific preprocessing, model training across isolated nodes, and the secure aggregation of analytical outputs. This framework provides a realistic testbed for developing, evaluating, and benchmarking federated learning methods in the context of MS research.
Authors: Kabi Raj Tiruwa (Clark University), Abhisan Ghimire (Clark University), Anuj Kumar Shah (Yeshiva University)
Abstract: Background: Fentanyl overdose deaths are still increasing across the U.S. We do not fully understand which county-level social and structural conditions lead to higher overdose death rates. Social determinants of health, including disability, treatment access, and behavioral health issues, may help identify vulnerable counties before deaths become severe. No earlier study has used explainable machine learning with SHAP attribution on 2022 CDC WONDER data to study treatment access gaps and silent risk counties. Methods: We combined data from four government sources for 975 U.S. counties, including CDC WONDER (2022) overdose mortality data, CDC Social Vulnerability Index (SVI), CDC PLACES health behavior data, and Area Health Resources Files. An XGBoost model was used to predict overdose mortality risk using Standardized Mortality Ratio (SMR). Five-fold cross-validation was used to test model accuracy, and SHAP values were used to show which factors increase or decrease risk. Results: XGBoost outperformed all tested models (Spearman rho=0.67, R2=0.457, MAE=0.409, high-risk recall=71.1%). Top predictors were disability rate, hypertension, smoking, and lack of vehicle access. Treatment desert counties had 52.6% higher overdose mortality (SMR 1.786 vs 1.170; p<0.0001). K-means identified 143 silent risk counties. Overdose deaths were spatially clustered (Moran's I=0.505, p=0.001) with 75 hotspots and 136 coldspots. Suppressed counties were 58.2% of WONDER counties, mostly rural (72%) and treatment deserts (65%). Conclusions: County-level SDOH factors predict overdose deaths, especially disability, treatment access, and behavioral health burden. MOUD expansion should prioritize treatment desert counties, and silent risk counties need early intervention before mortality worsens.
Authors: Chang Meng, Hanyu Wang, Yuyang Ye, Mingfei Yu, Wayne Burleson, Giovanni De Micheli
Abstract: Reducing power consumption in AI accelerators is increasingly important. Approximate computing can reduce power consumption while keeping the accuracy loss small. Since multipliers are power-hungry components in AI models, this paper focuses on synthesizing low-power approximate multipliers (AxMs). Unlike prior works that design AxMs separately from AI model training, we present TRAM, which jointly optimizes the AxM structure and AI model parameters to lower power with small accuracy loss. Experiments show that compared to state-of-the-art AxMs, TRAM achieves up to 25.05% AxM power reduction on CNNs with CIFAR-10, and reduces power by up to 27.09% on vision transformers with ImageNet.
Authors: Saghar Zolfaghari, Yu Xie, Junfeng Yang, Safa Jamali
Abstract: High-fidelity experimental characterization of turbulent premixed flames remains limited by the cost and complexity of advanced diagnostics, particularly under elevated pressures and intense turbulence where measurements of coupled flame morphology and burning dynamics are sparse. Here, we develop a hierarchical multi-fidelity neural network framework (MuFiNNs) to address this challenge by integrating sparse high-fidelity experimental data with structured low-fidelity representations encoding dominant physical trends. The framework combines hierarchical low-fidelity construction with nonlinear multi-fidelity correction to learn coupled geometric and reactive flame behavior while recovering discrepancies that simplified models alone cannot capture. The methodology is applied to expanding turbulent premixed flames to predict three-dimensional flame wrinkling dynamics and turbulent mass burning velocity across varying fuels, pressures, and turbulence intensities. Using experimentally informed low-fidelity trend models with sparse high-fidelity measurements, MuFiNNs accurately reconstruct observed flame behavior, enable interpolation across unseen operating conditions, and demonstrate robust extrapolation beyond the training domain. Importantly, the framework remains effective in noisy, weakly structured, or experimentally inaccessible regimes where conventional data-driven approaches often fail. These results show that hierarchical multi-fidelity learning provides a scalable and physically grounded strategy for predictive combustion modeling in data-limited regimes. More broadly, this work establishes multi-fidelity scientific machine learning as a practical framework for extracting physically meaningful predictive models from sparse experiments, particularly for instability-dominated and turbulence-sensitive reactive flows where high-fidelity data acquisition is demanding.
Authors: Ruijie Zhang, Haozhe Liang, Da Chang, Li Hu, Fanqi Kong, Huaxiao Yin, Yu Li
Abstract: Long-context LLM inference is bottlenecked by the memory and bandwidth cost of reading large KV caches during decoding. KV compression reduces this cost by keeping only part of the cache, but task accuracy alone does not identify why a selector succeeds or fails. A selector can fail at three steps: it may miss the evidence future decoding needs, give high scores to tokens that do not affect the output, or break related evidence when fitting scores into a small cache. We introduce a fixed-contract diagnostic that holds the selector's setup fixed and changes one decision slot at a time. For value ranking, the probe combines a block's attention mass with the estimated output change from removing it. On LongBench across three models and two budgets, the probe is positive on 72.6% of positive-margin cells and 32.4% of nonpositive-margin cells. NeedleBench M-RT at 32k and a RULER 8k check probe support closure under branched retrieval, and a 264-cell sign evaluation separates support recovery and output-value ranking from leverage effects near the boundary. The resulting order is to recover decode-side evidence, rank its output value, and preserve coupled evidence during projection.
Authors: Ziyue Wang, Yufeng Ying, Takafumi Kanamori
Abstract: In grokking, a model first fits the training data while test accuracy remains low, and only later begins to generalize. We ask whether this transition can be localized from observed training trajectories before the test accuracy rises, and formulate grokking transition localization as a diagnostic problem with an explicit threshold/FPR/lead-time trade-off. Task-dependent observables are summarized as empirical distributions, mapped to Wasserstein/quantile coordinates, and analyzed by Hankel dynamic mode decomposition (DMD); the resulting reconstruction residual, together with spectrum and effective rank, forms the diagnostic output. On held-out modular-addition Transformer runs, the residual achieves AUROC \(\approx \) 0.93 for grokking-vs-non-grokking discrimination at the run level; under a fixed sustained-threshold operating rule, true-positive alarms can precede onset, with lead time reported jointly with false-alarm rate and uncertainty intervals. Perturbation experiments show that, in the tested \(wd=1\) pool, high-residual windows exhibit about \(3\times\) larger short-horizon perturbation deviation than low-residual windows. In a same-data norm-window control, perturbation sensitivity aligns with the residual ordering rather than total-parameter-norm ordering, suggesting that the residual is not merely a total-norm proxy at the window level in the studied \(wd=1\) dynamics. Norm signals remain strong run-level regime indicators, and log-probability performs best among the observables tested under the current protocol. We position the residual as a window-level monitoring and localization signal in the studied modular-arithmetic Transformer settings, not a universal early-warning predictor or an intervention rule.
Authors: Boyang Xu, Qing Zou, Siqin Yang, Hao Yan
Abstract: Distributional reinforcement learning (DRL) models the full return distribution, but existing finite-support or quantile-based methods rely on projections, while recent flow-based approaches can suffer from \emph{boundary mismatch} at the flow source or from \emph{high-variance} bootstrapping when current and successor noises are independent. We propose Path-Coupled Bellman Flows (PCBF), a continuous-time DRL method that learns return distributions with flow matching using \textbf{source-consistent Bellman-coupled paths}: the current path starts from the required base prior at $t{=}0$, reaches the Bellman target at $t{=}1$, and maintains a pathwise affine relation to the successor flow at intermediate times (without requiring time-$t$ marginals to satisfy a distributional Bellman fixed point for all $t$). PCBF couples current and successor return flows through shared base noise and uses a $\lambda$-parameterized control-variate target: $\lambda{=}0$ recovers an unbiased sample Bellman target, while $\lambda{>}0$ trades controlled bias for variance reduction. Experiments on analytically tractable MRPs, OGBench, and D4RL show improved distributional fidelity and training stability, and competitive offline RL performance.
Authors: Valentino Maiorca, Eleonora Gualdoni, Xavier Suau, Marco Cuturi, Luca Zappella, Pau Rodr\'iguez
Abstract: As foundation models grow in capability, the ability to efficiently and reliably control their behavior becomes critical. Fine-tuning these models can be costly, and while prompting can be practical for controllability, it remains fragile due to models' high sensitivity to exact prompt wording and structure. This brittleness has driven interest in activation steering techniques that offer more stable and predictable control over model behavior. However, existing activation steering methods require per-concept optimization, which makes them ill-suited to deployment scenarios where the concept set is large, evolving, or only specified at request time: each new concept incurs at least minutes of optimization on the target model. We propose HyperTransport, a hypernetwork framework that amortizes this cost by mapping embeddings from a pretrained encoder (CLIP in our instantiation) directly to intervention parameters, trained end-to-end using an optimal transport loss. Once trained, HyperTransport produces each new intervention in a single hypernetwork forward pass, 3600-7000x faster than per-concept fitting. On concepts unseen during training, it matches the strongest per-concept baselines at inducing the target concept. By decoupling concept representation from intervention prediction, HyperTransport combines three capabilities that no existing approach offers as a set: amortized steering for open-ended concept sets, continuous interpretable strength control, and cross-modal conditioning where reference images can directly steer text-based generation. We validate HyperTransport on DMD2 and Nitro-1-PixArt across 167 held-out test concepts via CLIP-based metrics, a VLM-as-a-judge evaluation, and a user study. In pairwise comparisons, both human and VLM judges prefer HyperTransport over prompting ~2x as often.
Authors: Yuchu Liu, Rui Zhu, Jingwei Xiong, Haixu Tang
Abstract: Can large language models predict physical and mechanical polymer properties simply by reading unstructured scientific prose? Polymer performance is rarely determined by chemical structure alone; identical nominal polymers can exhibit drastically different behaviors depending on their synthesis route, processing history, morphology, and testing conditions. Yet, state-of-the-art polymer property models typically rely on structure-only representations -- such as SMILES or molecular graphs -- which strip away this vital experimental context. In this work, we introduce \textbf{PolyLM}, a natural-language-only, process- and condition-aware framework that predicts materials performance directly from full-text literature. By circumventing structural inputs entirely, PolyLM preserves the nuanced, unstructured descriptions of synthesis and processing reported by domain scientists. To train this framework, we curated an unprecedented, literature-scale dataset encompassing 185,000 scientific papers and over 276,400 unique polymer samples across 22 physical, mechanical, and thermal properties. We fine-tuned a massive 9-billion-parameter language model (Qwen3.5-9B) using Low-Rank Adaptation (LoRA) and task-level uncertainty weighting. Evaluated on 68,283 held-out observations, the model achieves remarkably high predictive accuracy, establishing new state-of-the-art benchmarks for complex properties. Across the 22 diverse targets, the model achieves a median $R^2$ of 0.74, with predictions for key thermal, mechanical, and physicochemical properties frequently surpassing an $R^2$ of 0.80. These results unequivocally demonstrate that natural language is a powerful, highly scalable interface for realistic materials performance prediction.
Authors: Qianru Zhang, Xinyi Gao, Alexander Zhou, Reynold Cheng, Siu-Ming Yiu, Hongzhi Yin
Abstract: Accurate traffic prediction is essential for optimizing transportation systems, enhancing resource allocation, and improving overall urban administration. Spatio-temporal graph neural networks (GNNs) have achieved state-of-the-art performance and have been widely used in various spatio-temporal prediction scenarios. However, these prediction methods often exhibit low generalization ability, struggling with distribution shifts caused by spatio-temporal dynamics. To address this challenge, we propose an approach to enhance the generalization and adaptation of spatio-temporal GNNs through efficient prompting. Specifically, we introduce a lightweight and model-agnostic prompt tuning framework for spatio-temporal GNNs, named SimpleST. It facilitates adapting pre-trained spatio-temporal GNNs to novel distributions while keeping the model parameters fixed. This prompt mechanism reduces the overhead and complexity of adaptation, enabling efficient utilization of pre-trained models for out-of-distribution generalization. Extensive experiments conducted on five real-world urban spatio-temporal datasets demonstrate the superiority of our approach in terms of prediction accuracy and computational efficiency.
Authors: Fan Yang, Binyan Xu, Di Tang, Kehuan Zhang
Abstract: GNNs have become a standard tool for learning on relational data, yet they remain highly vulnerable to backdoor attacks. Prior defenses often depend on inspecting specific subgraph patterns or node features, and thus can be circumvented by adaptive attackers. We propose PRAETORIAN, a new defense that targets intrinsic requirements of effective GNN backdoors rather than surface-level cues. Our key observation is that flipping a victim node's prediction requires substantial influence on the victim: attackers tend to either inject many trigger nodes or rely on a small set of highly influential ones. Building on this observation, PRAETORIAN (i) analyzes internal correlations within potential trigger subgraphs to detect abnormally large injected structures, and (ii) quantifies external node influence to identify triggers with disproportionate impact. Across our evaluations, PRAETORIAN reduces the average attack success rate (ASR) to 0.55% with only a 0.62% drop in clean accuracy (CA), whereas state-of-the-art defenses still yield an average ASR of >20% and a CA drop of >3% under the same conditions. Moreover, PRAETORIAN remains effective against a range of adaptive attacks, forcing adversaries to either inject many trigger nodes to achieve high ASR (>80%), which incurs a >10% CA drop, or preserve CA at the cost of limiting ASR to 18.1%. Overall, PRAETORIAN constrains attackers to an unfavorable trade-off between efficacy and detectability.
Authors: Qixin Xiao, Maani Ghaffari
Abstract: Learning predictive world models from visual observations is a core problem in embodied AI, with applications to model-based reinforcement learning and robotic planning. Existing latent world models typically generate future states with unconstrained neural transition functions, while modern video generation systems often prioritize perceptual plausibility or introduce physical structure through auxiliary losses, external guidance, or separate dynamics modules. As a result, long-horizon rollouts can remain weakly grounded in the physical principles that govern real dynamics, leading to compounding error, energy drift, and physically inconsistent futures. We propose Least Action World Models (LaWM), a latent world-modeling framework that operationalizes the Principle of Least Action in learned visual latent space: future rollouts are governed by a learned Lagrangian action functional rather than produced only by an unconstrained transition predictor. Our main technical realization is a latent variational integrator: LaWM encodes observations into learned generalized coordinates, learns a latent discrete Lagrangian over consecutive latent states, constructs a discrete action functional, and advances prediction by solving the corresponding discrete integration condition. Thus, physical structure is not merely used to score, regularize, or constrain a completed trajectory; it defines the latent transition rule itself. Because the transition is induced by a discrete variational principle, LaWM provides a structure-preserving bias for long-horizon visual prediction. Across physics-clean synthetic dynamics and embodied robot interaction benchmarks, LaWM improves physical invariance, background consistency, motion smoothness, and appearance and geometric prediction metrics over video-generation and world-model baselines.
Authors: Lu Bowen, Xinyu Tang, Yin Yin Low, Shu-Min Leong
Abstract: Preserving model fidelity is essential for stealthy text-to-image (T2I) backdoor attacks. Existing methods such as Learning without Forgetting (LwF) rely on output-based distillation, which provides limited regularization. We introduce Elastic Weight Consolidation (EWC) as a parameter-based alternative for preserving fidelity in backdoor learning. While stronger in principle, we show that standard static EWC with a fixed regularization weight lambda and mean-squared utility loss creates an artificial trade-off between attack success rate (ASR) and fidelity, particularly degrading performance on weak triggers. To address this, we propose Cosine-Aware Adaptive EWC, which dynamically adjusts EWC regularization using a cosine-based semantic utility and adaptive scheduling. This approach transforms EWC from a fixed penalty into a context-sensitive constraint, maintaining high ASR while preserving model fidelity. Experiments demonstrate improved ASR-fidelity balance and enhanced robustness on out-of-domain (OOD) datasets compared to existing baselines.
Authors: Xincheng Yao, Ruoqi Li, Cheng Chen, Daoxin Zhang, Yi Wu, Yao Hu, Chongyang Zhang
Abstract: Reinforcement Learning with Verifiable Rewards (RLVR) has emerged as a pivotal technique for enhancing the reasoning capabilities of Large Language Models (LLMs). However, the de facto practice of mainstream RL algorithms is to treat all tokens of one response equally and assign the same optimization objective to each token, failing to provide granular guidance for the reasoning process. While in Chain-of-Thought (CoT) reasoning, different tokens usually play distinct roles. Therefore, the current RL algorithms lack an effective mechanism to dynamically balance the exploration-exploitation trade-off during learning. To this end, we propose Hierarchical Token-level Objective Control Policy Optimization (HTPO), a novel RL algorithm that takes the divide-and-conquer idea to hierarchically partition the response tokens into specific functional groups from three aspects (i.e., prompt difficulty, answer correctness, and token entropy). Within each group, according to the contributions to exploration or exploitation, we design specialized optimization objectives to facilitate the effective execution of each token's expected functionality. In this way, HTPO can achieve a more balanced exploration-exploitation trade-off. Extensive experiments on challenging reasoning benchmarks validate the superiority of our HTPO algorithm, which significantly outperforms the strong DAPO baseline (e.g., +8.6% and +6.7% on AIME'24 and AIME'25, respectively). When scaling test-time compute, the HTPO-trained model maintains a consistent performance advantage over the DAPO baseline, and the gap widens as the sampling budget increases, validating that our adaptive token-level control method fosters effective exploration without sacrificing exploitation performance. Code will be at https://github.com/xcyao00/HTPO.
Authors: Bum Jun Kim
Abstract: Autoregressive scientific forecasters often enforce physical or structural constraints by repairing each predicted state before feeding it back into the model. However, it remains unclear when stronger physical rule enforcement becomes reliable and when it becomes a source of distribution shift. We study this question through operator exactness, meaning whether the repair map is the identity on the target manifold and is aligned with the target geometry. We compare raw forecasting, post hoc repair, and in-loop repair across periodic incompressible Navier--Stokes, non-periodic CFDBench flows, and a hierarchical-forecasting support task. In the exact periodic regime, Fourier projection substantially improves rollout accuracy. On the NS-128 benchmark, a strong Raw-FNO has a final-step rollout MSE at horizon 100 of $(9.390 \pm 6.290)\times 10^{-5}$, and post hoc and in-loop projection reduce it to $(1.130 \pm 0.165)\times 10^{-6}$ and $(5.370 \pm 0.113)\times 10^{-7}$. However, once an exact projection is unavailable and only approximate boundary-preserving cleanup is available, the ordering changes. Across cavity, tube, dam, and cylinder flow, stronger Poisson-based cleanup can reduce divergence while worsening rollout error; target-distortion MSE predicts this harm far better than a linear-system residual. Controlled mismatch, screened cleanup, adaptive gating, and external-backbone checks show that the best approximate-regime operating point can be raw or near-identity. Hierarchical forecasting gives the same broader pattern. Exact forecast reconciliation is a stable baseline, whereas blended top-down repair, a validation-tuned interpolation toward historical-proportion top-down reconciliation, is dataset-dependent. Thus, constraint enforcement should be benchmarked by operator--data alignment before enforcement strength.
Authors: Hyunmog Kim
Abstract: We introduce a spectral-injection diagnostic for measuring which angular frequencies a trained equivariant force-field backbone preserves: inject a controlled angular-frequency perturbation into a molecular force field, attach a lightweight Spectral Prediction Network (SPN) to the frozen backbone, and read off which frequencies are recoverable. On aspirin, a quadratic SPN attached to an L = 2 NequIP backbone recovers the boundary signal at l = 4 but collapses at l = 5: a 11.7x cliff at the predicted drL boundary, with p dropping from 0.913 to 0.078. The same boundary-vs-above contrast persists across n = 4 independently trained backbones (raw-gain delta contrast, hierarchical cluster bootstrap) and is corroborated by a denominator-free injected-residual metric (R2_inj(4) = 0.374 versus R2_inj(5) = 0.006). A finite-degree span theorem calibrates the diagnostic: for a single marked direction, degree-d polynomials of degree-L spherical-harmonic features span exactly H less than or equal to dL with multiplicity-one saturation at the boundary (scoped to single-direction degree-bounded probes, not a function-class upper bound on multi-atom MPNNs). A synthetic C5 calibration plus capacity, activation, and cross-architecture controls rule out parameter count alone as the explanation.
Authors: Francesco Bacchiocchi, Matteo Castiglioni, Alberto Marchesi, Francesco Emanuele Stradi
Abstract: We study \emph{multi-armed bandits} (MABs) augmented with \emph{best-action queries}, in which the learner may additionally query an oracle that reveals the best arm in the current round. This setting was recently characterized by Russo et al. [2024] in the \emph{full-feedback} model, where the learner observes the rewards of all arms after each round. They show that, in both \emph{stochastic} and \emph{adversarial} environments, $k$ best-action queries reduce the optimal $\widetilde{\mathcal{O}}(\sqrt{T})$ regret to $\widetilde{\mathcal{O}}(\min\{T/k,\sqrt{T}\})$. Whether this improvement extends to the more realistic \emph{bandit-feedback} model -- where the learner observes only the reward of the played arm -- was left as an open problem. We fully resolve this question. When rewards are stochastic but correlated among arms, we show that the full-feedback result does not carry over: any algorithm must incur regret at least $\Omega(\sqrt{T-k})$. This lower bound directly extends to adversarial environments. On the positive side, we show that $\widetilde{\mathcal{O}}(\min\{T/k,\sqrt{T-k}\})$ regret is still achievable when rewards are stochastic and i.i.d., and establish a matching lower bound, up to logarithmic factors. Together, these results provide a complete characterization of the benefits of \emph{best-action queries} in the \emph{bandit-feedback} model.
Authors: Shih-Yu Lai, Hirozumi Yamaguchi, Shang-Tse Chen, Yu-Lun Liu, Bing-Yu Chen
Abstract: Device-free localization trains models from heterogeneous wireless and visual sensors (e.g., Wi-Fi, LiDAR) distributed across edge devices. Federated learning offers a privacy-respecting framework, but is brittle when clients differ in sensor modality and resolution, when their data distributions drift, and when privacy noise destroys the structural signal needed for localization. We propose UMEDA, a graph federated learning framework in which clients form nodes of a global graph that share a continuous integral operator, and aggregation is reformulated as spectral signal processing on this operator. Each client encodes its local sensors with a linear-attention layer whose kernel spectrum is low-rank filtered, suppressing modality-specific residuals so clients with different sensors align in a common low-rank subspace. The server then aggregates client updates via a diffusion model over the kernel's spectral coefficients, treating updates as discretizations of a shared operator rather than topology-bound weights -- this absorbs varying graph sizes and missing modalities without node-wise correspondence. To balance privacy and utility, we add an anisotropic differential-privacy mechanism that projects noise preferentially into the null space of the signal subspace, preserving dominant eigendirections while ensuring formal $(\epsilon, \delta)$-DP under gradient clipping. On MM-Fi and the RELI11D out-of-distribution benchmark, UMEDA outperforms state-of-the-art federated baselines in accuracy, convergence, and communication efficiency, particularly under high modality heterogeneity and tight privacy budgets.
Authors: Fan Zhang, Shiming Fan, Hua Wang
Abstract: Multivariate time series forecasting is critical in many real-world systems, and thus modeling cross-channel dependencies is essential. Although existing methods improve overall accuracy by enhancing representations and cross-channel interactions, it remains challenging to reliably capture inter-variable dependencies under specific conditions. We observe that dependencies in real data are often state-dependent and noisy; in such cases, dense interactions can amplify spurious correlations and lead to representation over-smoothing, which may yield unreliable predictions in certain scenarios. Motivated by this, we propose MS-FLOW, a sparse-bottleneck framework that explicitly models inter-variable interaction as capacity-limited information flow. Specifically, MS-FLOW replaces fully connected communication with selective sparse routing, retaining only a few critical dependency paths and injecting cross-variable signals under a strict communication budget, thereby suppressing redundant connections and spurious-correlation propagation. Extensive experiments demonstrate that MS-FLOW learns more reliable multivariate correlations, achieving state-of-the-art forecasting accuracy on 12 real-world benchmarks while producing fewer yet more reliable dependencies, shifting multivariate forecasting from "more interaction" to "more effective interaction".
Authors: Kalana Kalupahana, Francesco Emanuele Stradi, Matteo Castiglioni, Alberto Marchesi
Abstract: We design the first regret guarantees for robust dynamic pricing that decouple the dependence on the corruption $C$ and the time horizon $T$. In dynamic pricing, a seller with unlimited supply of a good interacts with a stream of buyers over \( T \) rounds, with the goal of maximizing revenue. At each round $t$, the seller posts a price $p_t$, and the buyer purchases the good only if their unknown valuation $v^\star$ exceeds this price. The seller observes only the binary feedback $\mathbb{I} \left\{ p_t \leq v^\star \right\}$, indicating whether a sale occurred. In the \emph{robust} pricing setting, a malicious adversary is allowed to corrupt this feedback in at most $C$ rounds. Even if the learner knows the corruption $C$, the best known regret bound is $\mathcal{O}(C\log\log T)$ by Gupta et al. [2025]. This leaves as an open problem to ``decouple'' the dependence on $C$ and $T$. In this work, we resolve this open problem. In particular, we develop a robust variant of binary search that achieves regret $\mathcal{O}(C+\log T)$ when the corruption $C$ is known and $\mathcal{O}(C+\log^2 T)$ when the corruption is unknown.
Authors: Hyunmog Kim
Abstract: EDA problems are graph-structured, but not all graph-structured problems call for the same GNN computation. We argue that successful GNN-for-EDA methods are those whose propagation, aggregation, and supervision align with the native algebra of the target task. Concretely: static timing analysis is a max-plus/min-plus recurrence on a topologically ordered DAG, structurally aligned with asynchronous DAG-GNNs; placement is governed by hypergraph wirelength and density penalties and is exploited by differentiable placers rather than by message-passing GNNs alone; routing congestion is a sparse demand-supply field over a layout grid; switching-activity propagation is a probabilistic recurrence on a directed netlist; IR drop is a linear system on the power-delivery network; and analog symmetry extraction is a discrete constraint-prediction problem on schematic graphs. Through these task-by-task alignments we (i) review the GNN architectural toolkit relevant to circuits, (ii) formalize how circuit graphs differ from generic graphs (directed, heterogeneous, multi-scale, with sequential and clock structure), (iii) characterize where current methods succeed and where the algebra-architecture mismatch limits them, and (iv) identify failure modes--stage leakage, proxy-to-signoff gap, calibration, and design-distribution shift--that we believe are likely to dominate the next phase of work. We position the paper as a GNN-for-EDA, task-aligned analysis rather than a comprehensive AI-for-chip-design survey. Continuous SE(3)-equivariant geometric GNNs are usually mismatched to Manhattan digital layout, and LLM-for-RTL, HLS, and RL/diffusion-based topology generation are outside our scope.
Authors: Gleb Molodtsov, Alexander Miasnikov, Aleksandr Beznosikov
Abstract: Sparse Mixture-of-Experts (MoE) models scale capacity by routing each token to a small subset of experts. However, their routers exhibit a fundamental trade-off: strong load balancing can suppress expert specialization, while aggressive diversity often causes routing collapse. We propose Hi-MoE, a grouped MoE framework that decomposes routing control into two coupled levels: (i) inter-group balancing that enforces fair traffic across expert groups, and (ii) intra-group specialization that promotes complementary expert behaviors while preventing within-group collapse. Our analysis provides a principled explanation of how our hierarchical objectives reshape the router, thereby promoting stable specialization and mitigating collapse. We observe consistent improvements over recent sparse-routing and grouped-MoE baselines across NLP and vision benchmarks, and confirm robustness via scaling studies (model size, expert count) and targeted ablations. In large-scale pre-training on 58B tokens, Hi-MoE-7B achieves a 5.6% perplexity reduction and a 40% improvement in expert balance over OLMoE-7B across diverse evaluation domains.
Authors: Ming Liu
Abstract: While random demonstration labels barely hurt in-context learning (Min et al., 2022), we show that homogeneous labels--even semantically valid ones--collapse accuracy to <=12% across six models (Pythia, Llama, Qwen; 0.8B--8B) and four tasks. The trigger is label-slot content: the model treats tokens occupying the label position as an exhaustive answer vocabulary, with homogeneity as the maximally collapsed case. A novel set-level fixation finding confirms this: when demonstrations carry varied nonsense tokens from {foo,bar,vex,nit,orb}, the model places 42--67% of probability on the demonstrated set while P(dog) remains below 0.2%. This is inconsistent with latent-concept Bayesian accounts (Xie et al., 2022) and reveals that ICL output is constrained vocabulary retrieval--the model binds its output to the demonstrated token inventory regardless of semantic plausibility. The effect generalizes to 4-way classification (0% accuracy across three models, 1B--8B) and multi-token verbalizers ("very positive"), where we decompose fixation into format-level (template adoption) and content-level (polarity override) components that are experimentally dissociable. Mechanistically, per-item paired activation patching on Pythia-1B recovers 98.4% of the gap (95% CI [84%, 112%]), localizing fixation to a layer-7-centered circuit (rank 2/560, 99.8th percentile; 4-fold CV mean 103%). Cross-architecture logit lens on Llama-3.2-1B replicates the encode-then-override trajectory with causal confirmation (top-5 layers: 89% recovery).
Authors: Daning Cheng, Zeyu Liu, Jun Sun, Fen Xia, Boyang Zhang, Dongping Liu, Yunquan Zhang
Abstract: The scaling behavior, in which test performance often improves as model size and data increase, is a central empirical phenomenon in modern deep learning, yet its theoretical basis remains incomplete. In this paper, we study depth expansion in normalized residual networks: starting from a trained model in an old hypothesis class, we insert a new residual block at an intermediate layer and ask when such an expansion can yield a provable improvement in test risk. We develop a unified framework that decomposes this question into representational gain, optimization gain, and generalization transfer. First, under a first-order descent condition near zero initialization, we prove that the expanded hypothesis class contains an auxiliary jumpboard model with strictly smaller population risk than the original model. Second, under norm control tailored to post-normalized residual architectures, we establish a norm-based Rademacher complexity bound for the expanded model class. These ingredients lead to two complementary test-risk guarantees: one route passes through population risk and is tighter when a positive population margin is available, while the other works directly at the train/test level, avoids Hoeffding transfer, and is more robust in degenerate regimes. Together, these results provide a theorem-driven mechanism under which residual depth expansion can improve test performance in normalized residual networks. More broadly, they suggest that scaling is inherently joint: depth creates new improving directions, width enhances the finite-sample observability of weak signals, and data determines whether the statistical cost of expansion can be controlled.
Authors: Vasiliki Sideri-Lampretsa, Sophie Starck, Robbie Holland, Julian McGinnis, Daniel Rueckert
Abstract: Reusing the early layers of cohort-trained INRs as initialization for new signals has been shown to accelerate and improve signal fitting, yet it remains unclear which layers of the shared encoder learn transferable representations and what those representations encode. We address both questions for two standard backbones, SIREN and Fourier-feature MLPs (FFMLP). First, sweeping the freeze depth across the shared encoder at test time, we find that the optimum coincides with the layer of highest weight stable rank. Moreover, freezing at this depth matches or improves on the standard fine-tuning recipe across all our experiments. Second, identifying which layer transfers does not characterize what that layer encodes. To address this we adopt sparse autoencoders (SAEs), the dominant tool in mechanistic interpretability, and present the first SAE decomposition of INR activations into sparse dictionary atoms. Interestingly, SIREN and FFMLP achieve comparable cohort-fitting quality, but learn qualitatively different dictionaries. Cohort SIREN's atoms are localized, tiling the coordinate plane such that each atom fires in a confined region independent of cohort content. Cohort FFMLP's atoms are image-spanning, tracing the contours of memorized cohort signals. Single-atom ablations confirm causal use of these dictionaries: a single FFMLP atom out of 4096 can drop PSNR by up to 10.6 dB across the image, while SIREN ablations remain confined to where the atom fires. Together, these results give the first mechanistic account of what transfers in cohort-trained INRs and turn their activations into inspectable dictionary atoms. These tools open a path towards characterizing what INRs encode and towards architectures designed for generalization rather than memorization.
Authors: Abdulvahap Mutlu, \c{S}eng\"ul Do\u{g}an, T\"urker Tuncer
Abstract: Manifold-Constrained Hyper-Connections (mHC) introduce a stability-motivated variant of multi stream residual mixing by constraining residual stream mixing matrices to the manifold of doubly stochastic matrices via Sinkhorn-Knopp projection. In his work, we study whether mHC-style constrained multi-stream residual topology transfers effectively to state space model (SSM) language modeling. We implement a static mHC mechanism around an SSM block by expanding the residual stream into multiple parallel streams, aggregating streams into a single SSM input through simplex-constrained pre-mixing, scattering the SSM output back to streams through simplex-constrained post-mixing, and applying Sinkhorn-projected residual stream mixing at each layer. We further introduce stream-specialized adapters that add lightweight stream-specific capacity through a shared bottleneck with per-stream scaling, applied both before stream aggregation and after the SSM output prior to scattering. We evaluate baseline single-stream SSM, static mHC SSM, and mHC SSM with adapters on WikiText-2 using identical training settings and report checkpoint-based validation loss, perplexity, throughput, and peak GPU memory. Under the reported fair checkpoint evaluation, static mHC improves validation loss from 6.3507 to 6.2448 and reduces perplexity from 572.91 to 515.35, while mHC with adapters further improves validation loss to 6.1353 and perplexity to 461.88. These gains are accompanied by modest throughput reductions from 1025.52 to 964.81 and 938.90 tokens per second, and increased peak memory from 2365 MB to 2568 MB and 3092 MB. The results suggest that mHC-inspired constrained multi-stream residual mixing can yield measurable quality improvements in SSM language models and that stream-specialized adapter capacity can further enhance performance with predictable efficiency tradeoffs.
Authors: Aditya Chattopadhyay, Elvis Nunez, Prannay Kaul, Benjamin Bowman, Evan Becker, Luca Zancato, David Thomas, Wei Xia, Stefano Soatto
Abstract: Hybrid State-Space models combine Attention with recurrent State-Space Model (SSM) layers, balancing eidetic memory from Attention with compressed fading memory from SSMs. This yields smaller Key-Value caches and faster decoding than Transformers, along with a richer architectural design space. Exploring that design space at scale has so far required training from scratch, a barrier that has kept most large-model Hybrid research within a narrow range of architectures. We introduce Priming, a method that turns Hybrid architecture design from a pre-training problem into a knowledge transfer one. Priming initializes a Hybrid model from a pre-trained Transformer and, through short alignment and post-training phases, recovers downstream quality using less than 0.5% of the source model's pre-training token budget. Priming is agnostic to the source Transformer family (e.g., Qwen, Llama, Mistral), model class (dense or Mixture-of-Experts), and model scale. Priming enables us to run the first controlled comparison of SSM layer types at scale under identical conditions. We evaluate, Gated KalmaNet (GKA), Gated DeltaNet (GDN), and Mamba-2, and show that their expressiveness hierarchy, GKA>GDN>Mamba-2, directly predicts downstream performance on long-context reasoning tasks. We scale Priming to 8B/32B reasoning models with native 128K contexts. Our Hybrid GKA 32B improves over its source Qwen3-32B by +3.8 average reasoning points, while staying within 1% of a Transformer post-trained on the same data and enabling up to 2.3x higher decode throughput. To foster research on Hybrid architectures, we release a model zoo of primed Hybrid models for long-context reasoning and instruction following, together with the Priming training and inference code (Sequence Parallelism algorithms for long-context training, optimized GKA kernels, and vLLM serving plugin), all under Apache~2.0 License.
Authors: Wenbin Wei, Ruixiang Gao, Suyuan Yao, Xuanzhen Zhao, Cheng Huang, Hen-Wei Huang
Abstract: Real-world digital Parkinson's disease assessment faces challenges such as heterogeneous modalities, cross-device bias, and incomplete labeling. Existing methods often focus on average predictive performance, lacking the reliability mechanisms needed for retrospective reliability-aware assessment - namely, determining when the model is reliable, when to reject an assessment, when to retest, and from which symptom dimensions the predictions are based. This paper proposes SGC-RML, which maps speech, gait, wearable motion, mobility tasks, and clinical variables to a shared 8-dimensional symptom node space (7 clinical symptom nodes and 1 reliability_state auxiliary node), unifying motor and non-motor representations through a symptom atlas. By jointly introducing uncertainty estimation, conformal calibration, and selective decision routing, the model can not only predict symptoms and severity but also reject assessments or suggest retests when evidence is insufficient. We validate this framework on five real-world PD datasets, covering classification, regression, event detection, and longitudinal severity prediction. Experiments show that SGC-RML achieves an MAE of 4.579 / R^2 of 0.772 on PPMI, an AUC of 0.953 on mPower, and an AUC of 0.825 on PADS. Under leak-free temporal anchoring, as few as 5 subject-specific anchors transform UCI from an essentially non-predictive subject-independent setting (motor MAE 8.38, CCC 0.02) into a calibrated longitudinal assessment (motor MAE 3.24, CCC 0.756) with split-conformal coverage held at the 0.80 target. Under the Daphnet LOSO protocol, it achieves an F1 of 0.803 / AUC of 0.872. These results demonstrate that SGC-RML provides a unified paradigm for accurate, calibrated, auditable, and symptom-interpretable retrospective longitudinal assessment of PD under incomplete multimodal conditions.
Authors: Hung-Fu Chang, Tzu-Kang Lin, Yung-Li Cheng
Abstract: Accurate prediction of structural displacements under external loading is fundamental to structural health monitoring and seismic safety assessment. Although the finite element method (FEM) remains the prevailing approach because of its high accuracy, its considerable computational cost restricts its suitability for real-time monitoring applications. To address this limitation, this study proposes a data-driven framework based on Graph Neural Networks (GNNs), in which structural systems are represented as graphs with joints modeled as nodes and structural members as edges. By incorporating both geometric and mechanical properties into the graph representation, the proposed model learns the relationship between applied loads and structural responses directly from simulated data. A synthetic dataset was generated from a two-story frame structure using ANSYS, and both a conventional Neural Network (NN) and a GNN were trained for comparison. The results show that the proposed GNN framework predicts displacements and rotations with high accuracy and outperforms the NN model, demonstrating its potential as a fast and efficient alternative to traditional FEM-based analysis.
Authors: Siyu Wu, Yulong Ye, Zezhen Xiang, Pengzhou Chen, Gangda Xiong, Tao Chen
Abstract: Large Language Model (LLM) systems have been the frontier of AI in many application domains, leading to new challenges and opportunities for hyperparameter optimization (HPO) for the AutoML community. However, this type of system exhibits an unprecedented compound space of hyperparameter configuration from both the AI and non-AI components; rich and nonlinear implications from the fidelity factors; and diverse costs of measuring hyperparameter configurations, none of which have been fully captured in existing benchmarks. This paper presents the first (live) benchmark suite and datasets for HPO of real-world LLM systems, dubbed LLMSYS-HPOBench, covering data related to the inference objective values of hyperparameter configurations profiled from running the LLM systems. Currently, LLMSYS-HPOBench contains 364,450 hyperparameter configurations with a dimensionality of 12-23, 3-5 dimensions of fidelity factor leading to 932 settings, 3-9 inference objective metrics, and 2-10 cost metrics, together with generated logs from measuring the LLM systems. What we seek to advocate is not only a revalidation of the existing HPO algorithms over the frontier LLM systems, but also to provide an evolving platform for the AutoML community to explore new directions of research in this regard. The benchmark suite has been made available at: https://github.com/ideas-labo/llmsys-hpobench
Authors: Guolin Yin, Junqing Zhang, Guanxiong Shen, Simon L. Cotton
Abstract: Wi-Fi sensing detects human motions and activities by analysing the channel state information (CSI) derived from Wi-Fi transmissions. However, the impact of variable transmission traffic, which dictates the effective sampling rate and interval, is often overlooked. Existing Wi-Fi sensing systems are trained with fixed input size and sampling rate, which suffer from poor sampling rate generalisation. This paper proposes a novel Wi-Fi sensing approach for motion recognition applications, e.g., gesture and activity recognition, under variable traffic patterns. A sampling rate versatile neural network (SRV-NN) based on the transformer is proposed to efficiently handle variable input-sized sensing signals. A dynamic sampling rate augmentation is employed for variable sampling rates and intervals. To validate our approach, we have carried out extensive experimental evaluation, using two self-collected datasets, namely SRV activity and SRV gesture, as well as two publicly available datasets. Our method demonstrated exceptional performance and stability under variable sampling rates, with substantial improvements in average accuracy compared to baseline models without augmentation. The proposed approach significantly enhances stability by greatly reducing accuracy variance across different sampling rates.
Authors: Xi Wang, Cheng Deng
Abstract: Model merging provides a compelling paradigm for integrating specialized expertise into a unified multi-task model, a goal that aligns naturally with the sequential knowledge acquisition in continual learning (CL). However, the requirement for preserving diverse forms of previous knowledge conflicts with the storage limitations inherent to CL. In this paper, we systematically analyze existing model merging methods under the constraints of CL. We find that current methods prioritize global alignment, which often leads to the accumulation and amplification of task-specific errors within the continuous data stream; and the vanishing gradients at the onset of subsequent tasks frequently cause optimization to stagnate. These leave the merged model in a suboptimal state at the beginning of the next training phase. To address these challenges, we propose Trajectory Regularized Merging (TRM), a framework that reformulates the merging phase as an optimization process within an augmented trajectory subspace. Our framework integrates three synergistic objectives including task alignment, prediction consistency, and gradient responsiveness to concurrently preserve merged model's historical stability and re-activate optimization dynamics. Extensive experimental results demonstrate that our method achieves state-of-the-art performance across multiple benchmarks.
Authors: Wenhao Wu, Zishan Shao, Kangning Cui, Jinhee Kim, Yixiao Wang, Hancheng Ye, Danyang Zhuo, Yiran Chen
Abstract: SVD-based Low-rank compression reduces transformer parameters and nominal FLOPs, but these savings often translate poorly into real LLM serving speedups. We show that this gap is largely a runtime problem: factorized checkpoints fragment execution paths, and the resulting overhead differs substantially between prefill and autoregressive decode. We present FlashSVD v1.5, a unified inference runtime for serving SVD-compressed transformers. FlashSVD v1.5 maps diverse public SVD compression families to a common factorized representation and combines phase-specific kernels with dense-KV decode, packed MLP execution, and per-layer CUDA-graph replay to reorganize the low-rank serving path into a thin runtime. Across representative decoder-serving settings, FlashSVD v1.5 achieves up to 2.55x decode and 2.39x end-to-end speedup, and it attains 1.48x average decode and 1.44x average end-to-end speedup across multiple popular SVD compression families. These results suggest that practical low-rank acceleration requires runtime co-design, not compression algorithms alone. Our code is available at: https://github.com/Zishan-Shao/FlashSVD.
Authors: Rahaf Abu Hara, Vaibbhav Murarri, Claudio Zito
Abstract: Existing LLM-based policy optimizers see only scalar rewards: that a policy scored 0.45, but not whether the agent got stuck in a loop, fell into a hole on the third step, or performed well on 19 out of 20 rollouts and failed catastrophically on one. We propose Reflective Prompted Policy Optimization (R2PO), a two-stage LLM framework for policy search over compact policy classes that augments scalar reward feedback with trajectory-level behavioral evidence. A Search-LLM proposes candidate policy parameters; the environment executes them; a Critic-LLM inspects the resulting rollouts and proposes targeted revisions grounded in observed states, actions, and rewards. Across ten environments, ablations show R2PO's gains require separating global search from behavior-grounded revision and using selection to filter high-variance edits. We further identify a dominant failure mode, salience bias: when presented with multiple rollouts, the Critic-LLM fixates on improving a single failure even when most trajectories succeed. In a three-trajectory variant where the Critic-LLM sees the best, worst, and median rollout, this behavior explains 76.6% of regressions on CartPole. R2PO mitigates this by reasoning over aggregate rollout statistics, median-trajectory selection, and a revision rule. Using a 20B open-weight model, R2PO achieves the highest mean best reward across all ten environments, reaches near-optimal performance substantially earlier (e.g., near-maximum CartPole reward within ~500 episodes), and trains far more stably than both deep RL and prior LLM-based methods. These results show that treating trajectories as first-class in-context evidence, rather than artifacts reduced to scalar returns, changes how even comparatively small LLMs search over policy spaces, enabling them to learn faster, diagnose more precisely, and reliably improve external controllers.
Authors: Junkai Zhang, Hang Guo, Luca Benini, Yawei Li
Abstract: Large language models (LLMs) have shown strong performance across diverse tasks, but their inference with long input contexts is bottlenecked by memory size and bandwidth. The Key-Value (KV) cache size grows linearly with sequence length and needs to be re-read from off-chip high-bandwidth memory (HBM) to on-chip memory at every decoding step, resulting in memory-bound inference. Existing methods reduce the cache by either eviction or quantization, but typically treat the two in isolation. In this paper, we cast KV cache compression as a rate-distortion problem, under which eviction and quantization are two end-points of the same bit allocation scheme. This exposes the need to optimize them jointly, motivating our method, RDKV (Rate-Distortion KV cache compression). RDKV derives the weight of each token or channel from the distortion that compression induces on the attention computation. Based on these weights, it assigns each token or channel a bit-width ranging from full precision down to zero bits guided by reverse water-filling, applied once after the prefilling stage. Experiments on LongBench, RULER, and InfiniteBench show that RDKV outperforms the best evaluated baseline by 9.1% on average. On LongBench it recovers 97.81% of full-cache accuracy with only 2.48% cache retention. Compared with full-cache FlashAttention-2 decoding, it achieves 4.5x decode speedup and 1.9x peak memory reduction with 128K context length, while maintaining comparable performance.
Authors: Brandon Yee, Pairie Koh, Jack Rodriguez, Mihir Tekal
Abstract: We study the problem of \emph{architecture selection} for deep learning models trained to solve partial differential equations (PDEs), asking when transformer-based architectures with learned attention outperform Fourier-domain neural operators. We introduce the \textbf{Multi-Scale Attention Transformer} (\msat{}), a deep learning architecture that encodes spatiotemporal solution histories as token sequences and trains end-to-end via a composite supervised objective with optional physics-informed regularization terms. We conduct a comprehensive empirical evaluation against nine baselines -- including physics-informed neural networks (PINNs), neural operators (FNO, DeepONet, GNOT), and state-space models (Mamba-NO) -- across five benchmark problems from the PINNacle suite, using identical train/test splits and reference data for all methods. \msat{} achieves state-of-the-art generalization on complex geometry problems ($L^2_\mathrm{rel} = 0.0101$ on Heat2D-CG, a $3.7\times$ improvement over FNO) at $34\,\mathrm{s}$ total inference vs.\ $120{,}812\,\mathrm{s}$ for Mamba-NO. Ablation studies over the physics regularization component reveal a precise inductive bias tradeoff: physics priors reduce test error on diffusion-dominated problems but degrade generalization on chaotic and recirculating-flow regimes, directly characterizing the prior misspecification boundary. Approximation error bounds as a function of domain boundary complexity $\kappa$ provide a theoretical basis for these empirical findings and a principled rule for architecture selection.
Authors: Lennart Wachowiak, Scott D. Blain, David Williams-King, Samuele Marro
Abstract: LLMs are increasingly capable of persuasion, which raises the question of how to protect users against manipulation. In a preregistered user study (N=120) across four decision-making scenarios, we find that an adversarial LLM with a hidden goal succeeds in steering users' decisions 65.4% of the time. We then introduce a "warden" model: a secondary LLM that monitors the human-AI interaction trace in real time and issues non-binding, private advisories to the user when it detects manipulation. Adding a warden more than halves the adversary's success rate to 30.4%, with a much smaller (8.6 percentage points) reduction for genuine interactions. To probe the mechanism behind these results, we release COAX-Bench, a simulation benchmark spanning 14 decision-making scenarios, including hiring, voting, and file access. Across 16,212 simulated multi-agent interactions, capable adversarial LLMs achieve their hidden goals in 34.7% of cases, which warden models reduce to 12.3%. Notably, even warden models substantially weaker than the adversary they oversee provide meaningful protection, suggesting a path for scalable oversight of more capable models.
Authors: Stepan Kulibaba, Kirill Labzin, Artem Dzhalilov, Roman Pakhomov, Oleg Svidchenko, Alexander Gasnikov, Aleksei Shpilman
Abstract: Sparse MoE models achieve a good balance between capacity and compute by routing each token to a small subset of experts. However, in most MoE architectures, once a token is routed, the selected experts process it independently and their outputs are combined via a weighted sum. This leaves open whether enabling communication among them could improve performance. While prior work has raised this question, direct interaction among the active routed experts remains underexplored. In this paper, we propose SDG-MoE (Signed Debate Graph Mixture-of-Experts), a novel architecture that adds a lightweight, iterative deliberation step before final aggregation. SDG-MoE introduces three components: (i) two learned interaction matrices over the active experts, a support graph $A^+$ and a critique graph $A^-$, capturing reinforcing and corrective influences; (ii) a signed message-passing step that updates expert representations before aggregation; and (iii) a disagreement-gated Friedkin-Johnsen-style anchoring that controls deliberation strength while preventing expert drift. Together, these enable a structured deliberation process where interaction strength scales with disagreement and specialization is preserved. We also provide a theoretical analysis establishing stability conditions on expert states and showing that deliberation adds only low-order overhead over the active set. In controlled three-seed pretraining experiments, SDG-MoE improves validation perplexity over both an unsigned graph communication baseline and vanilla MoE, outperforming the strongest baseline by 19.8%, and gives the best external perplexity on WikiText-103, C4, and Paloma among the compared systems.
Authors: Yue Lin, Pascal Poupart, Shuhui Zhu, Dan Qiao, Wenhao Li, Yuan Liu, Hongyuan Zha, Baoxiang Wang
Abstract: Communication is fundamental to sustaining reciprocity and cooperation in strategic interactions. We identify and formulate the influence attribution problem as the central optimization difficulty inherent in such dynamics for a learning agent: any action or signal the agent emits reshapes the reputations of many third parties along combinatorially branching paths before feeding back into its own future rewards, forcing the agent to account for all of these indirect channels at once when choosing every action. To address this, we introduce the reciprocity gradient, which explicitly backpropagates reward gradients through private estimators of opponents' policies trained from public observations. The gradient flows through the reputation chain itself analytically, rather than being estimated from sampled returns. It jointly optimizes actions and evaluative signals without intrinsic rewards or reward shaping. Empirically, the method recovers near-optimal context-sensitive policies, while sample-based baselines collapse into constant-output policies.
Authors: Peiran Yun, Wenxin Xu, Jiayuan Liu, Yihang Zhang, Liang Zeng, Lingkai Kong, Tonghan Wang
Abstract: As Large Language Models (LLMs) transition into conversational agents, generative advertising emerges as a crucial monetization strategy. However, embedding advertisements within unstructured LLM outputs introduces a critical trilemma: balancing advertiser payoffs, platform revenue, and user experience. Existing methods, such as prompt injection or rigid position slots, disrupt semantic coherence and lack a parametric framework for independent control, rendering rigorous mechanism design intractable. To bridge this gap, we introduce Neuron Auctions, a novel paradigm that shifts the auction object from the surface text space to the LLM's internal representations. Leveraging mechanistic interpretability, we identify brand-specific feed-forward network (FFN) neurons and demonstrate that competing brands activate within approximately orthogonal subspaces. This near-perfect independence allows us to define continuous, disentangled intervention budgets (specifically, neuron counts and amplification factors) as auctionable commodities. Building on this computational carrier, we design a continuous menu-based auction mechanism that naturally guarantees strategy-proofness and optimizes revenue for the platform. By explicitly incorporating a user utility penalty into the platform's optimization objective, our framework dynamically prices out overly aggressive interventions. Extensive experiments demonstrate that Neuron Auctions effectively preserve natural discourse quality while achieving an optimal alignment between commercial incentives and user satisfaction.
Authors: Fei Xu Yu, Zuyuan Zhang, Mahdi Imani, Nathaniel D. Bastian, Tian Lan
Abstract: In structured decision-making workflows such as form filling, compliance checking, and maintenance reporting, LLM outputs must be locally correct, globally consistent, and auditable against task-specific rules. Existing refinement methods often rely on heuristic debate, self-play, or LLM-generated supervision, creating a second-order assurance problem. We propose DPA-GRPO (Dual Paired-Action Group-Relative Policy Optimization), a paired-action training method for a two-player generator--verifier game with structured verifier interventions. The generator proposes outputs and may revise them when challenged; the verifier either remains silent or raises a safety assurance case (SAC) containing a claim, argument, and evidence. These SAC/no-SAC and KEEP/REVISE decisions induce paired counterfactual action groups, which DPA-GRPO uses for role-specific KL-regularized GRPO updates. We analyze the unregularized game and show that positive probability on strictly lower-reward intervention or revision actions creates a profitable unilateral deviation. Under standard stochastic-approximation assumptions, DPA-GRPO tracks the corresponding game ODE, whose isolated asymptotically stable limit points are stationary and candidate local equilibria under role-wise local optimality. Experiments on TaxCalcBench TY24 show that DPA-GRPO improves structured decision accuracy over zero-shot generation and generator-only RL baselines across Qwen3-4B and Qwen3-8B. Training increases correct silent acceptance, reduces missed errors, and improves calibrated revision behavior, indicating gains for both generator and verifier.
Authors: Zehua Jiang, Fenghao Zhu, Xinquan Wang, Chongwen Huang, Zhaoyang Zhang
Abstract: Generative models based on flow matching have emerged as a powerful paradigm for inverse problems, offering straighter trajectories and faster sampling compared to diffusion models. However, existing approaches often necessitate differentiating through unrolled paths, leading to numerical instability and prohibitive computational overhead. To address this, we propose P-Flow, a framework that stabilizes the reconstruction process by leveraging a proxy gradient to update the source point. This approach effectively circumvents the numerical instability and memory overhead of long-chain differentiation. To ensure consistency with the prior distribution, we employ a Gaussian spherical projection motivated by the concentration of measure phenomenon in high-dimensional spaces. We further provide a theoretical analysis for P-Flow based on Bayesian theory and Lipschitz continuity. Experiments across diverse restoration tasks demonstrate that P-Flow delivers competitive performance, especially under extreme degradations such as severely ill-posed conditions and high measurement noise.
Authors: Pengzhou Chen, Tao Chen
Abstract: Retrieval-Augmented Generation (RAG) is sensitive to the vast hyperparameters of the retriever and generator, yet optimizing them using given queries is a challenging task due to the complex interactions and expensive evaluation costs. Existing algorithms are ineffective and slow in convergence, since they often treat RAG as a monolithic black box or only optimize partial hyperparameters. In this paper, we propose CDS4RAG, a framework that optimizes the full RAG hyperparameters using given queries via a new cyclic dual-sequential formulation. CDS4RAG is special in the sense that it distinguishes the hyperparameters of the retriever and generator, cyclically optimizing them in turn. Such a paradigm allows us to design fine-grained within-cycle budget provision and expedite the optimization via cross-cycle seeding when optimizing the generator. CDS4RAG is also an algorithm-agnostic framework that can be paired with diverse general algorithms. Through experiments on four common benchmarks and two backbone LLMs, we reveal that CDS4RAG considerably boosts the vanilla algorithms in 21/24 cases while significantly outperforming state-of-the-art algorithms in all cases with up to 1.54x improvements of generation quality and better speedup.
Authors: Lucas Fenaux, Larris Xie, Aditya Bang, Alex Zhang, Kevin Wilson, Florian Kerschbaum
Abstract: Institutions may benefit from collaborative inference on time-series data. In settings where privacy is necessary, multi-party computation (MPC) is a straightforward approach to providing strong guarantees, yet it remains prohibitively expensive and scales poorly with modern transformer architectures. Vertical Federated Learning (VFL) offers efficiency but suffers from privacy leakage at the embedding level, and securing the entire VFL model head via MPC remains prohibitively slow and communication-heavy for larger models. To enable practical, secure inference at scale, we propose "Public/Private Hybrid Head-VFL" (PPHH-VFL). This hybrid architecture splits the model head into an efficient plaintext public head and a secure, lightweight MPC private head. By applying adversarial training to the public embeddings, we mitigate privacy leakage; concurrently, the small private head securely preserves the flow of sensitive information needed for high downstream utility. Empirical evaluations on models ranging up to 86 million parameters demonstrate that PPHH-VFL accelerates inference by up to six orders of magnitude compared to end-to-end MPC. Compared to a standard VFL+MPC baseline, our approach scales significantly better, achieving a speedup of up to 44.4x in WAN and a 91.2x reduction in communication costs (dropping from 1.7 GB to 19 MB per batch), while simultaneously improving downstream classification accuracy by 2.50% and regression RMSE by 40.7%.
Authors: Alec Helbling, Sebastian Gutierrez Hernandez, Benjamin Hoover, Duen Horng Chau, Parikshit Ram
Abstract: Recent work has shown that models flow matching models can be trained without explicit time conditioning, challenging the standard view that the interpolation time is needed to disambiguate velocity targets. But why should a time-blind model work at all? Decomposing the time-blind flow matching loss, we identify two sources of irreducible error: a coupling variance, which arises from ambiguous velocity targets induced by how noise and data points are paired, and the time-blindness gap, which is the additional error caused by ignoring time. This gap shows that time-blind training is strictly harder than conventional training, reinforcing the puzzle that time-blind models work so well in practice. We resolve this tension by showing that the geometry of high-dimensional data makes time identifiable directly from noisy observations. When data concentrates near a $k$-dimensional subspace, time can be recovered from the statistical structure of noisy interpolants in directions orthogonal to the data; under a spiked-covariance model, this yields a closed-form estimator that recovers $t$ from a single observation $z$ at rate $O(1/\sqrt{d-k})$ for ambient dimension $d$. As a consequence, we prove that the time-blindness gap is asymptotically negligible relative to the coupling variance. We empirically demonstrate our identifiability result on real-world data and show that changing the coupling has a much larger effect on loss and sample quality than removing time conditioning across CIFAR-10, CelebA-HQ, and FFHQ. These results explain why time-blind flow matching works and show that the main practical lever is the choice of coupling, not explicit time conditioning.
Authors: Konstantin Riedl, Konstantinos Spiliopoulos, Justin Sirignano
Abstract: A convergence analysis is developed for the regularized Newton method for training neural networks (NNs) in the overparameterized limit. As the number of hidden units tends to infinity, the NN training dynamics converge in probability to the solution of a deterministic limit equation involving a ``Newton neural tangent kernel'' (NNTK). Explicit rates characterizing this convergence are provided and, in the infinite-width limit, we prove that the NN converges exponentially fast to the target data (i.e., a global minimizer with zero loss). We show that this convergence is uniform across the frequency spectrum, addressing the spectral bias inherent in gradient descent. The eigenvalues of the NTK for gradient descent accumulate at zero, leading to slow convergence for target data with high-frequency components. In contrast, the NNTK has uniformly lower bounded eigenvalues if the regularization parameter is selected appropriately, allowing Newton's method to converge more quickly for data with high-frequency components. Mathematical challenges that need to be addressed in our analysis include the implicit parameter update of the Newton method with a potentially indefinite Hessian matrix and the fact that the dimension of this linear system of equations tends to infinity as the NN width grows. This complicates deriving the training dynamics in the overparameterized limit as well as proving the convergence of the finite-width dynamics thereto. The analysis identifies a scaling formula for selecting the regularization parameter, which we show can vanish at a suitable rate as the number of hidden units becomes larger. We prove that, for sufficiently large numbers of hidden units, the regularized Hessian remains positive definite during training and the Newton updates for individual NN parameters converge to zero, showing that the model behaves as a linearization around the initialization.
Authors: Mohit Raghavendra, Soham Dan, Miguel Romero Calvo, Yannis Yiming He, Johannes Baptist Mols, Gautam Anand, Cole McCollum, Edgar Arakelyan, Vijay Bharadwaj, Andrew Park, Jeff Da, MohammadHossein Rezaei, Bing Liu, Brad Kenstler, Yunzhong He
Abstract: We introduce SWE Atlas, a benchmark suite for coding agents spanning three professional software engineering workflows: Codebase Q&A (124 tasks), Test Writing (90 tasks), and Refactoring (70 tasks). SWE Atlas differs from prior SWE benchmarks in three key ways: it targets underrepresented but practically important task categories, uses comprehensive category-specific evaluation protocols, and adopts under-specified, agentic task formulations that better reflect real-world usage. Its evaluation framework combines programmatic checks with rubric-based assessment. This goes beyond functional correctness, evaluating software engineering quality, including test and refactor completeness, maintainability, reusable abstractions, and codebase hygiene. We evaluate a range of frontier and open-weight models on SWE Atlas and find that GPT-5.4 and Opus 4.7 achieve the strongest overall performance, while even the best open-weight models score poorly. Our analysis suggests that top models rely on extensive codebase exploration and runtime-driven reasoning. However, even top models consistently struggle with subtle edge cases, complex runtime analysis, and adherence to software engineering best practices. Overall, SWE Atlas provides a complementary evaluation suite for measuring both correctness and engineering quality in coding agents.
Authors: Ali Syed, Aditya Nambiar, Jonathan W. Siegel
Abstract: In many practical applications it is important to build symmetries into neural network architectures. Consider the important case of permutation symmetry on point clouds consisting of $n$ points in $d$ dimensions. In this case the network learns a function on a set of $n$ points in $\mathbb{R}^d$, and a natural paradigm for constructing invariant networks is Janossy pooling, which generalizes the popular Deep Sets architecture. We study the universality of this approach, in particular the important question of how large the embedding dimension must be to guarantee universality of this architecture. Specifically, using a novel technique, we prove new lower bounds on the required size of this embedding dimension. For Deep Sets, this gives the correct minimal dimension up to a constant factor for all $d > 1$. For $k$-ary Janossy pooling, we prove the first non-trivial lower bound on the required embedding dimension when $k > 1$.
Authors: Guangchen Lan
Abstract: Reinforcement learning has become a powerful paradigm for improving the capability of intelligent systems, but its practical deployment faces two central challenges. First, reinforcement learning must scale efficiently in distributed environments where communication bandwidth is limited and computation is heterogeneous across agents. Second, as reinforcement learning is increasingly used in post-training large language models and autonomous agents, the optimized policies must also be aligned with human preferences and satisfy safety requirements such as privacy-aware information disclosure. This dissertation addresses both challenges through four complementary contributions spanning federated optimization, preference alignment, and contextual safety. The first part of the dissertation studies scalable reinforcement learning in federated settings. The second part of the dissertation studies trustworthy reinforcement learning for large language models. Together, these contributions advance reinforcement learning along two complementary dimensions. On the one hand, they make reinforcement learning more scalable through communication-efficient and asynchronous federated optimization. On the other hand, they make reinforcement learning more trustworthy by improving alignment with human preferences and by reducing contextually inappropriate information disclosure in language-based intelligent systems. As a whole, this dissertation argues that the next generation of intelligent systems will require both efficient optimization and trustworthy behavior, and that reinforcement learning provides a unifying framework for addressing both goals.
Authors: Annie Marsden, Elad Hazan
Abstract: Sequence prediction methods for dynamical systems with long memory, i.e. marginally stable systems, typically achieve regret that grows polynomially with the hidden dimension of the underlying generative model. Universal Sequence Preconditioning (USP) is a method that compresses any sequence which comes from a linear dynamical system into a "preconditioned" sequence which requires exponentially shorter memory for accurate prediction. However, the preconditioned sequence yields exponentially larger diameters and gradients, hindering USP from unlocking optimal regret bounds. Inspired by the minimum description length principle, we show that the Vovk-Azoury-Warmuth (VAW) algorithm is naturally matched to the USP regime. Indeed, it takes advantage of the memory compression while remaining robust to the exponential explosion of the diameter. We prove that combining USP with VAW achieves astoundingly strong results: for any marginally-stable linear dynamical system, this algorithm achieves polylogarithmic regret $O \left( \log^3 T \right)$ even in the presence of asymmetric hidden transition matrices. Finally, we extend the applicability of USP beyond bounded-spectrum systems by providing new complex-analytic bounds on Chebyshev polynomials, allowing for systems with constant complex arguments.
Authors: Nikunj Gupta, James Zachary Hare, Jesse Milzman, Rajgopal Kannan, Viktor Prasanna
Abstract: Cooperative multi-agent reinforcement learning agents that act on partial local observations face a fundamental information bottleneck: the knowledge needed to select jointly optimal actions is scattered across the team, yet each agent must commit to a decision without access to its teammates' observations, intentions, or chosen actions. Existing methods either ignore this bottleneck, compress it into a scalar mixing signal, or route around it with learned communication channels. Framing action coordination as a problem of structured information integration among agents, we propose \textit{structured agent coordination via holistic information integration}, or SACHI, in which graph transformer convolutions over an inter-agent coordination graph enrich each agent's representation with receiver-sensitive, content-dependent signals from teammates prior to action selection. We evaluate SACHI across five cooperative tasks spanning spatial, communicative, and adversarial coordination challenges against twelve baselines. SACHI consistently matches or outperforms the best baseline on every task, and rigorous aggregate statistical analyses, including normalized metrics with bootstrap confidence intervals, Friedman ranking, and performance profiling, confirm that this advantage is statistically significant, robust across environments, and not attributable to increased model capacity. Parameter-matched ablations further trace the source of the gains to a single architectural property: the degree of content-dependence in the message-passing operator.
Authors: Samuel Hurault, Thomas Moreau, Gabriel Peyr\'e
Abstract: Practical diffusion sampling is a numerical approximation problem: under a fixed inference budget, one must simulate a reverse-time ODE or SDE using only a limited number of denoising steps, so discretization error is often the dominant source of error. Existing non-asymptotic analyses provide convergence guarantees, but are typically too loose and too insensitive to diffusion parameters to guide practical design: broad families of schedules receive the same rates, which depend on coarse worst-case quantities such as the dimension or the drift Lipschitz constant. We take a less ambitious but more informative route. In the exact-score setting, we derive first-order asymptotic expansions of the Euler-Maruyama weak and Fr\'echet discretization errors. These formulas hold for general smooth reverse diffusions and become fully explicit under Gaussian data. They show how discretization error adapts to the geometry of the data through the covariance spectrum, and how this geometry interacts with key diffusion parameters, including the diffusion schedules and the diffusion-term coefficient. This yields tractable objectives for geometry-aware parameter optimization. Finally, we show that the qualitative predictions of the Gaussian formulas remain robust across diffusion sampling problems with different geometries, including image generation on different datasets and image posterior sampling.
Authors: Rania Briq, Michael Kamp, Ohad Fried, Sarel Cohen, Stefan Kesselheim
Abstract: In this work, we show that Latent Flow-Matching (LFM) models are robust to different types of perturbations, including data reduction and model capacity shrinkage. We characterize this stability by their tendency to generate similar outputs under identical noise seeds. We provide a perspective relating this phenomenon to flow matching theory, which indicates that this stability is inherent to the FM objective. We further exploit this stability to derive practical algorithms for more efficient training and inference. Concretely, first, we show that by training LFM models on significantly reduced datasets, the performance does not degrade perceptually or quantitatively. This yields multiple advantages, such as reducing training time by converging faster under limited compute budget, and alleviating annotation effort when training conditional models. Second, LFM stability under architectural shrinkage gives rise to a two-model coarse-to-fine approach, one using a light-weight architecture for the first phase of the FM trajectory, and one with higher capacity for the second, thereby reducing the inference cost substantially. To determine which samples are informative, we introduce three sample-scoring criteria and evaluate them under standard metrics for generative models. Our results are thoroughly evaluated on multiple datasets, demonstrating the practical advantage of this stability, including data saving and a more than two-fold inference speedup while generating comparable outputs.
Authors: Binghang Lu, Runyu Zhang, Changhong Mou, Na Li, Guang Lin
Abstract: Physics-informed neural networks (PINNs) provide a flexible framework for solving forward and inverse problems governed by partial differential equations (PDEs), but standard PINN training typically relies on soft penalty formulations that combine PDE residuals, data mismatch, and initial/boundary conditions using manually chosen weights. This often leads to ill-conditioning, sensitivity to loss weights, and poor constraint satisfaction. In this work, we reformulate PINN training as an equality-constrained optimization problem and propose a novel Adaptive Momentum Feedback Linearization Optimization for Hard Constrained PINN (AdamFLIP). The key idea is to view the constraint residuals as the output of a controlled dynamical system and to compute the Lagrange multiplier as a feedback input that locally drives these residuals toward stable linear contraction dynamics. AdamFLIP then applies Adam-style first- and second-moment adaptation to the resulting feedback-linearized Lagrangian gradient, combining principled constraint handling with the scalability and robustness of adaptive neural-network optimization. We test AdamFLIP on a range of benchmark forward and inverse PDE problem, and it consistently outperforms both the standard soft-constrained PINN and state-of-the-art constrained optimizers. Specifically, on the Navier--Stokes equations benchmark, AdamFLIP \textbf{reduces relative $L_2$ error by more than two thirds} for the predicted solution compared to the next best method. Our AdamFLIP framework provides an effective and computationally scalable hard constraint optimization method for PINN training.
Authors: Shengbo Wang, Zexi Zhang
Abstract: Designing model-free algorithms for distributionally robust reinforcement learning (DRRL) poses fundamental challenges. The robust Bellman operator is nonlinear in the transition kernel, which makes one-sample Bellman updates biased, while the adversarial optimization underlying robustness makes robust evaluation computationally demanding. To address these difficulties, we consider the natural small-ambiguity regime under Kullback--Leibler ambiguity sets and propose an approximate DRRL framework based on a first-order expansion of the relevant robust functional. This yields an approximate robust Bellman equation that removes the adversarial optimization while remaining first-order accurate in the ambiguity radius. To learn the fixed point of this approximate equation, we propose Mean-Variance Stochastic Approximation (MVSA), a model-free algorithm that uses only one-sample updates. This is achieved via a lifted stochastic approximation dynamics and a two-time-scale design. We then prove convergence and a central limit theorem for MVSA: its main iterate satisfies a central limit theorem at the canonical $n^{-1/2}$ scale, with explicitly characterized asymptotic covariances. Finally, we validate our theoretical findings with a numerical experiment.
Authors: Omatharv Bharat Vaidya, Connor T. Jerzak, Nhat Ho, Chandrajit Bajaj
Abstract: We present a data-adaptive method for parameter-efficient fine-tuning of large neural networks. Standard low-rank adaptation methods improve efficiency by restricting each layer update to a fixed low-rank form, but this static parameterization can be too rigid when the appropriate correction depends on the input and on the evolving depth-wise computation of the network. Our approach replaces a purely layer-local adapter with a shared queryable memory of low-rank update atoms. For each block of layers, the model forms a query from the current low-rank state and a running summary of previous blocks, uses this query to retrieve a content-dependent combination of shared update components via attention, and applies the resulting routed operator within the low-rank bottleneck. In this way, the method retains the efficiency and scalability of low-rank adaptation while allowing the effective update to vary across inputs and to share reusable structure across layers. The resulting architecture provides a principled middle ground between static LoRA-style updates and fully generated parameter updates: it remains compact and parameter-efficient while supporting dynamic, context-sensitive adaptation. Further, we incorporate instruction-regularization by augmenting routing logits with a language-induced prior over update atoms, thereby biasing the selection of low-rank transformations toward semantically relevant directions without generating unconstrained parameter updates. Experiments on noisy non-linear regression tasks and LLM fine-tuning suggest that this queryable update-memory formulation can improve final test performance and training stability compared to standard low-rank adaptation, while using a comparable number of trainable parameters.
Authors: Moritz Piening, Richard Duong, Gabriele Steidl
Abstract: Flow matching has recently emerged as a flexible and efficient framework for generative modelling by learning deterministic transport dynamics between probability measures. In this work, we extend flow matching to the space of probability measures over probability measures, introducing a Wasserstein-on-Wasserstein (WoW) formulation. Leveraging the nested Wasserstein geometry, we show that measures over transport plans naturally induce velocity fields that realize metameasure flows. This yields a principled generalization of Wasserstein flow matching via coupled outer and inner transport plans. To address the substantial computational cost of WoW transport, we propose scalable approximations based on sliced and linear Wasserstein distances, enabling efficient training while promoting numerically stable, near-straight trajectories. Our framework unifies and extends existing approaches to point cloud and set generation, providing a practical and theoretically grounded method for generative modelling in WoW spaces.
Authors: Benjamin D. Shaffer, Brooks Kinch, M. Ani Hsieh, Nathaniel Trask
Abstract: We introduce a meshfree exterior calculus (MEEC) for learning structure-preserving descriptions of physics on point clouds, and use it to build MEEC-Net, a data-efficient surrogate that transfers across resolutions, geometries, and physical parameters. MEEC equips an $\varepsilon$-ball graph with virtual node and edge measures via a single sparse Schur complement solve; the resulting complex satisfies discrete conservation exactly, is end-to-end differentiable in the point positions, and exposes a direct geometry-to-physics link without the mesh-generation step required by conventional structure-preserving discretizations. MEEC-Net learns unknown physics as a shared edge-wise flux law in an SO($d$)-invariant local frame, so the same kernel produces compatible fluxes on any point cloud whose features lie in the training range. We prove a solution-error bound that splits into discretization and kernel-approximation terms which is independent of problem geometry, explaining the observed transfer from very few examples. We show that single-solution training transfers to unseen geometries, boundary conditions, and physical parameters. On five canonical PDE benchmarks MEEC-Net achieves 1-2 orders of magnitude lower out-of-distribution error than baseline neural-operator approaches. On the SimJEB structural-bracket benchmark it achieves competitive error while using substantially fewer training geometries.
Authors: Daniel Wesego, Pedram Rooshenas
Abstract: Adversarial purification with diffusion models seeks to project adversarial examples back toward the data manifold, but balancing semantic preservation and robustness against adaptive attacks remains challenging. Recent work shows that standard diffusion purification can fail under adaptive evaluation, while test-time score-based optimization is more resilient. Existing optimization defenses, however, typically rely on a single diffusion noise regime or treat timesteps uniformly, overlooking the distinct roles of coarse and fine denoising scales. We propose Temporal Adversarial Rectification Optimization (TARO), an inference-time purification method that builds a temporally guided score prior from multiple denoising views along the diffusion trajectory. TARO forms a coarse-to-fine residual target: high-noise experts provide globally smoothed structure with reduced adversarial sensitivity, while low-noise experts restore image-specific, class-relevant details. A guidance strength controls this temporal correction, allowing TARO to balance robust global rectification with semantic preservation. Empirically, TARO improves robust accuracy across datasets and adaptive threat models in a zero-shot setting, while remaining compatible with complementary adversarial-likelihood objectives for further robustness gains.
Authors: Haoyu Hu, Xuandong Zhao, Xuhai "Orson'' Xu, Nori Jacoby
Abstract: Reinforcement learning with verifiable rewards (RLVR) generates hundreds of thousands of tokens per training step, with rollout generation dominating the computational cost. The overall token budget can be controlled along two main dimensions: (i) deciding which prompts to allocate rollouts to, and (ii) deciding how long each rollout should be. Prior work has generally controlled only one of these dimensions at a time. We show that jointly tuning both decisions under a shared compute budget improves both reasoning quality and wall-clock training time. We instantiate this view as \textbf{DU}al-controlled tok\textbf{E}n alloca\textbf{T}ion (DUET), a computationally efficient layer over GRPO that uses a lightweight pre-rollout surrogate of prompt informativeness to set how many rollouts each prompt receives, and a marker-gated abort rule with importance reweighting to set when to stop them. On Qwen3-1.7B trained on MATH, DUET outperforms full-budget GRPO and the other three budget-aware baseline methods. DUET's advantage further generalizes to other benchmarks across math and coding, and is on par with the best baseline on the scientific Q\&A domain, while also achieving a $1.62\times$ wall-clock speedup. More notably, using only 50\% of the token budget, DUET still outperforms all baseline methods at their full budget, achieving an even higher $2.51\times$ speedup over full-budget GRPO. We verify the high performance of DUET on other backbone LLMs, including Qwen3-4B and Llama-3.2-3B-Instruct. Notably, the gap between DUET and the strongest baseline \emph{widens} as the budget tightens, contrary to the usual pattern in which efficient methods trade off quality as compute decreases. More broadly, these results suggest that DUET budget-aware control strategies are valuable not only for accelerating training, but also for improving the quality of the learning signal.
Authors: Pavel Prochazka
Abstract: We propose training Bayesian neural networks by directly minimizing the Bethe free energy rather than maximizing a variational lower bound. On tree-structured factor graphs the Bethe free energy is exact; deterministic layers drop out of the objective and are trained by standard backpropagation, so the framework accommodates any mixture of probabilistic and deterministic subgraphs without modification. Restricting the weight posterior to a last-layer Gaussian yields analytically tractable losses: for a Gaussian likelihood the Bethe loss equals the exact marginal likelihood, and for a probit likelihood it reduces to a closed form via the probit-Gaussian convolution. Both objectives sit strictly between MAP and the ELBO ($L_\text{MAP} \leq L_\text{Bethe} \leq L_\text{ELBO}$), removing the structural Jensen gap that no choice of variational family can close. The Z-consistent prior formulation makes the prior precision a differentiable parameter, enabling empirical Bayes - joint optimization of weights, covariance, and hyperparameters - in a single gradient pass, with no cross-validation or outer loop. All variants admit a closed-form predictive at MAP-equivalent inference cost, in contrast to ensemble and sampling-based methods. On 8 UCI regression and 12 UCI classification benchmarks evaluated under a single shared hyperparameter regime, Bethe is competitive with standard reference methods at single-pass cost. Independently, joint single-pass empirical Bayes matches grid-search cross-validation of the prior precision on essentially all dataset-variant combinations, eliminating the outer hyperparameter loop without measurable cost. Isolated optimization gaps on a few datasets reflect numerical rather than principled limitations of the framework.
Authors: Maxwell J. Jacobson, Yexiang Xue
Abstract: Imitation learning is effective for training agents when expert demonstrations are available, but collecting demonstrations for every complex task in an environment is costly. We study the long-horizon, goal-conditioned setting where a fixed demonstration dataset contains useful behavior, but not complete examples for every task the agent must solve. Existing imitation learning methods can learn strong policies from demonstrations, but when solving long-horizon tasks, small errors accumulate over long primitive-action trajectories and make zero-shot adaptation to new tasks unreliable. We introduce Zero-shot Agents from Latent Topologies (ZALT), an imitation-learning method that solves unseen start-goal tasks beyond those demonstrated during training. ZALT identifies latent hub states where trajectories converge or diverge, learns policies and a dynamics model over hub-to-hub transitions, and plans over the hub topology to complete new tasks. This topology makes demonstrated behaviors explicitly composable while compressing long tasks into shorter sequences of abstract transitions -- combined, these enable ZALT to perform zero-shot adaptation. In a complex 3D maze environment, ZALT achieves 55% zero-shot success on unseen tasks, compared to 6% for the strongest baseline.
Authors: Linda Friso, Annie Marsden, Xinyi Chen, Arushi Gupta, Peter Bartlett, Mark Braverman, Elad Hazan
Abstract: Convolutional architectures have emerged as powerful alternatives to Transformers for sequence modeling. The primary advantage is that they offer improved theoretical sequence length complexity by leveraging the Fast Fourier Transform (FFT). However, this theoretical improvement does not always meaningfully land in practice. One critical obstacle is that applying standard FFTs is not amenable to the large-scale training pipeline wherein data is packed from different sources into a single sequence for hardware efficiency. Indeed, standard FFT algorithms are not easily amenable to document packing. Existing workarounds suffer from severe inefficiencies, crippling the practical performance of convolutional architectures. We close this gap with RubiConv, a novel algorithm for performing hardware-efficient, boundary-respecting convolutions on packed sequences. Extensive experiments show that RubiConv achieves significant speedups over both attention and standard FFT-based baselines. This work makes the theoretical efficiency of long convolutional models a practical reality for large-scale, real-world data packing.
Authors: Peter S\'uken\'ik, Cristina L\'opez Amado, Christoph H. Lampert, Marco Mondelli
Abstract: This paper studies the role of sinks and diagonal patterns as attention switch and anti-oversmoothing mechanisms. We analyze geometric conditions under which sinks can be represented, showing a necessary alignment between the embedding of the sink and all other embeddings. Next, we refine the current understanding of the role of sinks in oversmoothing prevention: we specify the conditions under which dense attention provably smooths more than sparse attention, and empirically verify that such conditions are often satisfied in practice. We further prove an equivalence between sinks and hard attention switch, in which the output of the attention is identically 0. Finally, we relax the hard attention switch by allowing token self-communication: we provide a quantitative comparison of the costs of representing sinks vs.\ diagonal patterns, showing why sinks are favored in pretrained transformers. The introduction and analysis of diagonal patterns and the generalization of the attention switch close the gap between what oversmoothing prevention requires and what sinks provide, while also establishing when and why attention layers act like MLPs if token communication is not necessary.
Authors: Yuxiang Luo, Andrew Perrault
Abstract: Recovering continuous-time dynamics from discrete observations is difficult because local supervision (e.g., pointwise regression targets, derivative approximations, or equation residuals) loses fidelity as the observation interval grows. We replace local supervision with a global structural constraint: any flow representing autonomous dynamics must satisfy the semi-group property under time translation. We train a time-conditioned secant velocity field whose deviation from this property, which we call Symmetry Rupture, serves two purposes. As a training regularizer, it confines the hypothesis space to flows that compose consistently across temporal scales. As an inference oracle, it lets the solver select the largest step size that preserves internal consistency, replacing the local truncation error that conventional adaptive solvers depend on. On the diffusion-reaction benchmark under time-informed inference, our method reduces rollout RMSE by 87\% while using 5x fewer function evaluations than a Neural ODE baseline. In the more demanding direct auto-regressive setting, where the model must predict distant future frames without intermediate temporal cues, our adaptive solver allocates compute based on local geometric complexity -- maintaining the lowest rollout RMSE on two of three PDE benchmarks while baselines either diverge or require up to an order of magnitude more function evaluations to remain stable.
Authors: Shiyang Li, Haoyang Chen, Mattia Fazzini, Caiwen Ding
Abstract: Debugging CUDA programs has long been challenging because failures often arise from subtle interactions among hardware behavior, compiler decisions, memory hierarchy, and asynchronous execution. More importantly, with the rapid expansion of GPU usage across scientific computing, machine learning, graphics, and systems workloads, CUDA debugging has become more challenging than ever. Current evaluations of LLM-based CUDA programming largely miss this setting: a model can pass correctness tests with repair by degeneration, simplifying the CUDA code into a safer but slower program that abandons the original optimization structure. We introduce CUDABEAVER, a benchmark for CUDA debugging from real failing workspaces produced during LLM-based CUDA generation. Each task provides the broken candidate, native build/test commands, raw error evidence, and a single editable file. CUDABEAVER evaluates whether a fixer truly repairs the failing CUDA code or merely finds a slower test-passing replacement, reporting results by failure category, debugging trajectory, stagnation mode, and performance preservation. We further propose pass@k(M,C,A), a protocol-conditional CUDA debugging metric by making the fixer M, corpus C, and protocol axes Aexplicit. Using this metric across 213 tasks and seven frontier LLMs, we show that protocol-aware evaluation gives a more faithful view of CUDA debugging ability: when performance-loss tolerance is high, fixers appear much stronger, but even a minor stricter performance requirement can sharply reduce measured success, shifting scores by up to 40 percentage points.
Authors: Jakeb Chouinard
Abstract: Coherent, continuous spatial representations are critical for synthesizing physical and perceptual phenomena into a single representational space. Radial basis kernels provide a path forward for this type of distributed representation. In this work, we aim to characterize and analyze common radial basis kernels realizable in the neurally-plausible framework of spatial semantic pointers. Further, we analyze previous radial basis kernel work based on grid cell-like representations and demonstrate that such representations are both capable of and optimal for realizing radial basis kernels.
Authors: Thomas Walker, T. Mitchell Roddenberry, Ahmed Imtiaz Humayun, Randall Balestriero, Richard Baraniuk
Abstract: The manifold hypothesis (MH) is often used to explain how machine learning can overcome the curse of dimensionality. However, the MH is only applicable in regimes where the training data provides a sufficiently dense sample of the underlying low-dimensional data manifold, or where such a low-dimensional manifold is conceivably present. We describe the regimes where the MH is not applicable as sparse. In this paper, we demonstrate that models succeed in the sparse regime by exploiting a highly structured local geometry, a property we formalize as normal alignment. We prove that normal-aligned classifiers -- whose input-output Jacobians are rank-one and align perfectly with the training data -- minimize the training objective under norm constraints and achieve maximal local robustness under a non-zero Jacobian constraint. For continuous piecewise-affine deep networks, normal alignment manifests geometrically as centroid alignment within the network's induced power diagram partition and results from the feature-learning regime. Motivated by these theoretical insights, we introduce GrokAlign, a regularization strategy that actively induces normal alignment. We demonstrate that GrokAlign significantly accelerates the training dynamics of deep networks relevant to the grokking phenomenon. Furthermore, we apply the principle of normal alignment to Recursive Feature Machines (RFMs) to introduce Recursive Feature Alignment Machines (RFAMs). We show that RFAMs exhibit greater adversarial robustness compared to RFMs when trained on tabular data.
Authors: Shiyang Li, Zijian Zhang, Guangyan Sun, Yuebo Luo, Winson Chen, Yanzhi Wang, Mingyi Hong, Caiwen Ding
Abstract: Large language models show promise for automated CUDA programming, however even the strongest coding models (e.g., Claude-Opus-4.6) may still fall short of expert-level, architecture-aware optimization. We introduce CUDAHercules, a benchmark that evaluates generated CUDA against end-to-end human-expert SOTA systems. It spans single kernels, module-level operators, full applications, and unsolved challenge tasks across Ampere, Hopper, and Blackwell GPUs, with end-to-end tasks gated by domain-specific semantic validators. Evaluating models such as Claude-Opus-4.6 and GPT-5.4 shows a large gap between runnable CUDA and expert CUDA engineering: models often compile and pass tests, but rarely recover the optimization strategies needed to match expert performance. Application semantics further reduce success, and iterative or tool-augmented feedback can improve correctness while drifting toward slow fallback implementations. These results show that automated CUDA programming remains far from fully solved and requires stronger hardware reasoning, better tool use, and training objectives that connect code understanding to hardware architecture-grounded intelligence.
Authors: Mingsong Yan, Dongyang Li, Charles Kulick, Sui Tang
Abstract: Mechanistic accounts of in-context learning (ICL) have identified iterative algorithms for linear regression and related linear prediction tasks, often using linear or ReLU attention variants. For nonlinear ICL, prior work has related softmax and kernelized attention to functional-gradient-type dynamics, but it remains unclear whether a standard transformer with softmax attention can implement a convergent solver with an end-to-end prediction-error guarantee. In this paper, we study in-context kernel ridge regression (KRR) with Gaussian kernels and show that a standard softmax-attention transformer can approximate the KRR predictor during its forward pass by implementing preconditioned Richardson iteration on the associated kernel linear system. Under bounded-data assumptions, we construct a single-head transformer with $O(\log(1/\epsilon))$ blocks and MLP width $O(\sqrt{N/\epsilon})$ that achieves $\epsilon$-accurate prediction for prompts of length $N$. Our construction reveals a functional decomposition within the transformer architecture: softmax attention produces a row-normalized Gaussian-kernel operator needed for cross-token interactions, while ReLU MLP layers act locally to approximate the intra-token scalar arithmetic required by the update. Empirically, we train GPT-2-style transformers on Gaussian-process regression tasks to further test the preconditioned Richardson interpretation. Through linear probing, we compare the transformer's layer-wise predictions with the step-wise outputs of classical KRR solvers and find that its error profiles align most consistently with preconditioned Richardson iteration. Ablation studies further support this interpretation. Together, our theory and experiments identify preconditioned Richardson iteration as a concrete mechanism that softmax-attention transformers can realize for nonlinear in-context Gaussian-kernel regression.
Authors: Yihe Dong, Boris Shigida
Abstract: We study how to allocate inference-time compute for competitive programming under fixed budgets. Evaluating 216 Codeforces problems across Divisions 1-3, we compare agent-based reasoning with repeated independent sampling (k-shot) as a function of both cost and number of model calls. Across models and difficulty levels, k-shot consistently achieves a better accuracy-cost and accuracy-query tradeoff. This gap persists despite prompt caching in agent frameworks, indicating lower per-call effectiveness. Our results show that, for self-contained algorithmic tasks, independent exploration can outperform deeper agentic reasoning under realistic resource constraints. We also provide a budget-allocation analysis when the inference budget is fixed, and prove that a cost-optimal solver minimizes the principled metric log failure likelihood per dollar.
Authors: Mohammed Sameer Syed, Xuan Lu
Abstract: Automated ICD-10 coding from clinical discharge summaries requires models that are both accurate on long-tailed multi-label classification tasks and interpretable to clinicians. Concept Bottleneck Models (CBMs) offer a principled framework for interpretability by routing predictions through human-interpretable concepts, but this transparency often comes at a cost: compressing rich clinical text representations into a narrow concept layer can restrict gradient flow and limit predictive capacity. We present ShifaMind, a concept-grounded architecture built around a Multiplicative Concept Bottleneck (MCB), which changes the form, rather than the width, of the bottleneck. Instead of projecting through a narrow concept layer, ShifaMind uses a learned multiplicative gate over a concept-grounded representation while retaining a scalar concept interface for inspection. On MIMIC-IV top-50 ICD-10 coding, ShifaMind achieves performance competitive with LAAT, the strongest baseline, across F1, AUC, and ranking metrics, while outperforming five additional ICD-coding baselines and providing concept-mediated explanations. Its substantial gains over a capacity-matched Vanilla CBM in both predictive performance and interpretability-oriented metrics highlight the importance of the bottleneck design.
Authors: Hubert Banville (Lucy), St\'ephane d'Ascoli (Lucy), Simon Dahan (Lucy), J\'er\'emy Rapin (Lucy), Marl\`ene Careil (Lucy), Yohann Benchetrit (Lucy), Jarod L\'evy (Lucy), Saarang Panchavati (Lucy), Antoine Ratouchniak (Lucy), Mingfang (Lucy), Zhang, Elisa Cascardi, Katelyn Begany, Teon Brooks, Jean-R\'emi King
Abstract: Deep learning and large public datasets have recently catalyzed the proliferation of AI models for processing brain recordings. However, systematically evaluating these models remains a challenge: not only do the preprocessing pipelines, training and finetuning approaches largely vary across studies, but their downstream evaluation is often limited to small sets of tasks and/or datasets. Here, we present NeuralBench: a unified framework for benchmarking AI models of brain activity. We accompany this framework with NeuralBench-EEG v1.0 -- a large EEG benchmark that includes 36 electroencephalography (EEG) tasks and 14 deep learning architectures, and is evaluated on 94 datasets accessed through a standardized interface. This first EEG-focused release already highlights two main findings. First, current foundation models only marginally outperform task-specific models. Second, a large set of tasks (e.g. cognitive decoding, clinical predictions) remain highly challenging, even for the best models. Critically, NeuralBench is designed for the integration of new tasks, datasets, models, and neuroimaging modalities, as illustrated by preliminary extensions to MEG and fMRI datasets and models. Through this white paper, we invite the community to expand this open-source framework and work together toward a unified benchmarking standard for neuroimaging models.
Authors: Viresh Pati, Zhengyu Li, Piyush Jha, Rahul Garg, Yatharth Sejpal, Vijay Ganesh
Abstract: We introduce MathConstraint, a hard, adaptive benchmark for evaluating the combinatorial reasoning capabilities of LLMs. We combine constraint satisfaction problems with rigorous solver-based verification and design an adaptive generator to create instances that remain challenging as the LLMs improve in their reasoning capabilities. Unlike existing benchmarks that quickly saturate on fixed datasets or use LLM-as-a-judge for checking solutions,MathConstraint uses parameterized problem types that enable scalable generation of arbitrarily difficult and automatically verifiable instances. We release MathConstraint-Easy ($266$ instances), on which frontier models achieve between $72.6\%$ (gemini-3.1-flash-lite) and $87.6\%$ (gpt-5.5) accuracy, and MathConstraint ($329$ instances) on which the same models drop to between $18.5\%$ (claude-4.6-sonnet) and $66.9\%$ (gpt-5.5) accuracy, demonstrating the resilience of our benchmark generator against rapid progress in LLM reasoning capabilities. We evaluate 12 frontier and open-weight models with and without access to a sandboxed Python environment that includes generic SAT/SMT solvers. Tool access roughly doubles frontier accuracy on MathConstraint (mean $+28$pp; up to $+52$pp for claude-4.6-sonnet). Further, halving the tool-call budget from $8$ to $4$ rounds erases up to $37$ points -- a sensitivity that most single-budget benchmarks miss. We release the generator, dataset, and evaluation harness as a robust environment for studying combinatorial reasoning and tool-use behavior under adversarially-tunable difficulty.
Authors: Giuseppe Bruno, Shi Chen, Zhengjiang Lin, Yury Polyanskiy, Philippe Rigollet
Abstract: We study the long-context limit of softmax self-attention with a fixed query and a random context of $n$ i.i.d. keys on the sphere, viewing the inverse temperature $\beta_n$ as the scaling parameter that decides whether attention degenerates into uniform averaging or collapses onto the single closest key. We show that the critical scale at which selectivity emerges is determined by the local exponent of the distance-to-query distribution near zero rather than by global features of the context, and scales like $\beta_n^\ast \asymp n^{2/(d-1)}$ for uniform keys on $\mathbb{S}^{d-1}$. Furthermore, we characterize the limiting laws of the ordered attention weights and of the attention output across all regimes of $\beta_n$: a subcritical regime in which the output reduces to a local average around $q$ with explicit deterministic bias and Gaussian fluctuations; a critical regime in which a finite collection of nearest keys retains macroscopic mass without single-key collapse; and a supercritical regime in which all mass concentrates on the closest key. Of notable interest is the subcritical case with identity value matrix where the attention map approximately implements a backward heat equation.
Authors: Shuyi Chen, Wenbin Zhou, Shixiang Zhu
Abstract: Robust optimization (RO) provides a principled framework for decision-making under uncertainty, but its performance critically depends on the choice of the uncertainty set. While large sets ensure reliability, they often lead to overly conservative decisions, whereas small sets risk excluding the true outcome. Recent data-driven approaches, particularly conformal prediction, offer finite-sample validity guarantees but remain largely task-agnostic, ignoring the downstream decision structure. In this paper, we propose a decision-aware conformal framework that learns uncertainty sets tailored to robust optimization objectives. Our approach parameterizes a flexible family of polyhedral sets via data-driven hyperplanes and learns their geometry by directly minimizing the induced robust loss, while preserving statistical validity through conformal calibration. To correct for data-dependent selection, we incorporate a re-calibration step on an independent dataset to restore coverage. The resulting sets capture directional and anisotropic uncertainty aligned with the decision objective while remaining computationally tractable. We provide finite-sample coverage guarantees and bounds on the sub-optimality gap to an oracle decision. This work bridges the gap between statistical validity and decision optimality, providing a principled framework for data-driven robust optimization.
Authors: Yusuf Syed, Viraj Parimi, Brian Williams
Abstract: Temporally contrastive representation learning induces a latent structure capable of reducing long-horizon planning to inference in a low-dimensional linear system. However, existing contrastive planning work learns a single latent geometry which cannot distinguish multiple valid behaviors trading task efficiency against risk exposure for the same start-goal query. We introduce MoMo, a preference-conditioned contrastive planner allowing a scalar user preference to continuously modulate plan conservativeness at inference time, without retraining. MoMo learns a joint conditioning of the representation geometry and latent prediction operator via Feature-Wise Linear Modulation and low-rank neural modulation, respectively. We show that our formulation preserves the probability density ratio encoded in the representation space that is required for inference-driven contrastive planning, further retaining its inference-time efficiency. Across six environments, MoMo smoothly adapts plan safety according to user preferences, yielding improved temporal and preferential consistency over state augmentation baselines.
Authors: Michael Groom, Victor-Alexandru Darvariu, Lars Kunze, James Wilson, Nick Hawes
Abstract: Unlike standard expected-return Reinforcement Learning (RL), Distributional RL (DRL) models the full return distribution, making it better-suited for uncertainty-aware and risk-sensitive decision-making. Conditional Flow Matching (CFM) critics have recently attracted attention for modelling continuous, multi-modal return distributions. Despite this interest, there remains a substantial metric mismatch: DRL theory relies on the distributional Bellman operator being contractive in the $p$-Wasserstein distance, yet existing CFM critics are trained with arbitrary source-target couplings, so their flow-matching losses are not Wasserstein-aligned surrogates for matching Bellman target return distributions. In this work, we address this mismatch by proposing FlowIQN, a CFM critic that sorts source and Bellman target samples within each mini-batch to approximate the monotone optimal transport coupling, replacing arbitrary pairings with quantile-aligned flow paths. We prove that the loss of our quantile-coupled CFM critic yields a Wasserstein-aligned approximate projection compatible with the foundations of DRL. To our knowledge, FlowIQN is the first flow-matching distributional critic with an explicit Wasserstein-aligned projection guarantee. We further extend FlowIQN with shortcut models for efficient inference. Empirical results show that FlowIQN improves Wasserstein return-distribution accuracy over other CFM critics. It also yields competitive performance on offline RL benchmarks across multiple policy extraction methods, providing a theoretically grounded CFM critic that is readily compatible with DRL pipelines. Code: https://github.com/ori-goals/flowIQN.
Authors: Andreas Maier, Md Hasan, Paulina Conrad, Paula Andrea Perez-Toro
Abstract: We describe an approach for estimating the statistical risk of deep networks that contain a mix of learned and known operators. Building on the maximal training error bounds previously established for known operator learning, we derive a deep risk estimator that connects the expected error of a layered network to the size of the training sample. The estimator decomposes the total risk into a sum over learned layers; every known operator contributes zero to this sum, while every learned layer adds an approximation term inspired by Barron's classic work and an estimation term that decreases with the number of training samples. We are able to show that the bound shrinks whenever a learned layer is replaced by a known operator and that the corresponding sample requirement scales with the number of trainable parameters of the layer that is replaced. As an application, we use computed tomography as an example and compare an operator-aware filtered backprojection network with a fully connected substitute that collapses the entire reconstruction pipeline into a single learned dense matrix. The predicted parameter ratio coincides with the structural sparsity that the analytic decomposition into a circulant filter and a sparse backprojection exposes. We confirm the predicted scaling on CPU at small image scale and on GPU at medium image scale, all on the same scaling law. Beyond CT reconstruction, the estimator applies to physics-informed neural networks that hardcode a known physical operation in its architecture, and we expect the result to be of interest for a broad community working on operator-aware deep learning. Calibrating the per-layer constants on each sweep yields a bound that tracks the empirical test MSE within a factor of two at every training-set size, so the estimator can be inverted to predict how many training samples are required to reach a target error.
Authors: Kacper Jurek, Wojciech Batko, Marek \'Smieja, Marcin Przewi\k{e}\'zlikowski
Abstract: Learning from scarce labeled data with a larger pool of unlabeled samples, known as semi-supervised few-shot learning (SS-FSL), remains critical for applications involving tabular data in domains like medicine, finance, and science. The existing SS-FSL methods often rely on self-supervised learning (SSL) frameworks developed for vision or language, which assume the availability of a natural form of data augmentations. For tabular data, defining meaningful augmentations is non-trivial and can easily distort semantics, limiting the effectiveness of conventional SSL. In this work, we rethink SSL for tabular data and propose Separated-at-Birth Alignment (SeBA), a joint-embedding framework for SS-FSL that eliminates the dependence on augmentations. Our core idea is to separate the data into two independent, but complementary views and align the representations of one view to mirror the nearest-neighbor correspondence of the data in the second view. Our experimental evaluation supported by a theoretical analysis justifies that SeBA generates an output space, which improves the feature-label relationship. An experimental study conducted in various benchmark datasets demonstrates that SeBA achieves the state-of-the-art performance in the majority of cases, opening a new avenue for SS-FSL paradigm in the domain of tabular data.
Authors: Zhengding Hu, Mingge Lu, Zhen Wang, Jixuan Ruan, Chang Chen, Zaifeng Pan, Yue Guan, Ruiyi Wang, Zhongkai Yu, Chao Zhang, Yufei Ding
Abstract: LLM-based evolution has emerged as a promising way to improve agents by refining non-parametric artifacts, but its wall-clock cost remains a major bottleneck. We identify that this cost comes from synchronized stage execution and imbalance inside each LLM-heavy stage. We present FlashEvolve, an efficient framework that replaces synchronized execution with asynchronous workers and queues, allowing different stages and steps to overlap. To handle data staleness introduced by asynchrony, FlashEvolve tracks artifact versions and applies different policies to update, discard, or patch stale artifacts. Unlike weight-space staleness in asynchronous RL, language-space staleness is inspectable and repairable: a stale artifact is not just delayed work, but readable evidence that the LLM can reflect on, revise, and turn into useful evolution signal. FlashEvolve further improves throughput and token efficiency with speculative stage completion and adaptive workflow control. On GEPA workloads, FlashEvolve improves proposal throughput by $3.5\times$ on local vLLM and $4.9\times$ on API serving over synchronous GEPA. The same design also applies to ACE and Meta-Harness.
Authors: Zihan Huang, Junda Wu, Tong Yu, Qianqi Yan, Rohan Surana, Uttaran Bhattacharya, Lina Yao, Xin Eric Wang, Julian McAuley
Abstract: While LLM-based agents excel at planning and executing long action sequences, their execution often remains inconsistent across trials, limiting reliability. Consolidating agent consistency requires distilling trial-error trajectories into reusable skills that preserve task-relevant invariants while discarding trajectory-specific noise. However, in multimodal settings, the key challenge is not only that useful invariants are distributed across vision and language information, but that different modalities support different kinds of reusable skill content: while some skills are verbalizable and interpretable, others reside in perceptual evidence beyond text. Text-only skills may lose perceptual cues, whereas storing text and perception naively introduces redundancy and noise. Existing inference-time methods, such as self-consistency, improve reliability through costly multi-sample decoding, while internalization strategies lack a way to separate verbalizable skill content from residual perceptual information. To address this, we introduce Conditional Multimodal Information Bottleneck (CMIB), a method for multimodal skill construction. CMIB begins with a joint bottleneck over multimodal skills and derives an exact sequential decomposition: (1) a text-stage bottleneck distilling interpretable skill cards, and (2) a conditional multimodal bottleneck compressing only residual information in perception that remains predictive beyond text. Unlike naive two-stream formulations, CMIB explicitly conditions the multimodal latent on the text skill, thus structurally reducing cross-modal redundancy and enabling independent control over textual and perceptual compression. We instantiate CMIB with a variational objective that makes its conditional decomposition tractable to optimize, yielding reusable multimodal skills that improve execution stability without incurring multi-sample inference overhead.
Authors: Xingrui Gu
Abstract: Modern deep learning treats neural networks primarily as endpoint functions from inputs to outputs. Inspired by the shift from force to geometry in physics, we ask whether a network should instead be understood through the geometry of its internal propagation. We define a neural propagation field as the collection of hidden-state trajectories and local Jacobian operators across depth. Endpoint losses constrain only the boundary behavior of this field, leaving its interior geometry underdetermined. We show that endpoint-equivalent models can differ by orders of magnitude in trajectory and Jacobian structure, and introduce observable field metrics such as path sensitivity, solver consistency, and trajectory/Jacobian retention. In controlled teacher-flow and PDE systems, endpoint fitting fails to recover the underlying propagation law. In real multi-path tasks, field-aware objectives improve unseen-path generalization, OOD robustness, and calibration when aligned with the observation structure, but can collapse when over-constrained. In continual learning, field-preservation regularization complements replay and distillation: on Split CIFAR-100, DER++ with field preservation improves average accuracy, backward transfer, and field-retention metrics. These results identify propagation-field quality as a measurable and trainable property of neural networks beyond endpoint performance.
Authors: Annan Yu, Dongwei Lyu, N. Benjamin Erichson
Abstract: Inductive biases influence the behavior and performance of sequential models. In this work, we study an underexplored inductive bias in sequential modeling: continuity in time. We ask a simple question: do models motivated by continuous-time formulations, such as state-space models, actually behave continuously in time, and does this translate into better performance on tasks with continuous temporal structure? To answer this, we formalize model continuity as convergence under temporal refinement, where a model is continuous if its predictions approach an underlying continuous trajectory as the temporal discretization is refined. We show that S4 exhibits stable continuous behavior, whereas S6 (the core of Mamba) can be more sensitive to input amplitude and selective dynamics, despite being derived from a continuous dynamical system. To study whether this distinction matters for learning, we also need a corresponding notion of task continuity. We therefore introduce a metric to quantify the continuity of datasets directly from their temporal structure. Across benchmarks, we find a clear empirical alignment between task continuity, model continuity, and model performance. Beyond an inductive bias, continuity also has practical consequences: we show that it enables a simple temporal subsampling strategy that improves both efficiency and performance.
Authors: Joshua Shay Kricheli, Alexander Lawrence Reid, Soumajyoti Sarkar, Venkata Gandikota, Paulo Shakarian
Abstract: Neural scaling laws approximate a language model's loss as a power-law function of parameter count $N$ and token count $D$. Following Chinchilla-style compute-optimal training, many studies fit scaling laws from runs performed under a fixed tokens-per-parameter (TPP) ratio $k$ and set $D = kN$. We show that this collinear design, combined with the empirically common near-equality of the exponents governing $N$ and $D$, induces an inherent ill-conditioning in the Gauss-Newton least-squares problem: the condition number of the design grows as the inverse square of the gap between the $N$ and $D$-exponents. The scale coefficients become practically unidentifiable, with confidence intervals inflating by an order of magnitude or more, yielding a ``sloppy'' model whose extrapolations degrade sharply off the training ray. We prove this for four scaling-law formalisms and derive a closed-form TPP-diversity threshold that is necessary and sufficient for well-conditioned estimation. Empirically, non-collinear designs outperform collinear ones on held-out splits with a 97.3\% win rate across four laws, five corpora, multiple floating point precision modes. We further show the degeneracy is rooted in Jacobian geometry and is not an artifact of the loss function: any smooth estimation objective whose curvature involves the Jacobian inherits the same ill-conditioning.
Authors: Vincent Guan, Lazar Atanackovic, Kirill Neklyudov
Abstract: The population dynamics of molecules, cells, and organisms are governed by a number of unknown forces. In the last decade, population dynamics have predominantly been modeled with Wasserstein gradient flows. However, since gradient flows minimize free energy, they fail to capture important dynamical properties, such as periodicity. In this work, we propose a change in perspective by considering dynamics that minimize a population-level action under a damped Wasserstein Lagrangian. By deriving the corresponding Hamiltonian equations of motion, we formalize Wasserstein Lagrangian Mechanics, a structured class of second-order dynamics that encompasses classical mechanics, quantum mechanics, and gradient flows. We then propose WLM as the first algorithm that learns these second-order dynamics from observed marginals, without specifying the Lagrangian. By directly learning the population mechanics, WLM can both forecast and interpolate unseen marginals, and outperforms existing gradient flow and flow matching methods across a wide range of dynamics, including vortex dynamics, embryonic development, and flocking.
Authors: Khurram Yamin, Jingjing Tang, Eric Horvitz, Bryan Wilder
Abstract: LLMs are increasingly used to make or support high-stakes decisions under uncertainty, where alignment depends not only on factual accuracy but on how models weigh tradeoffs between different outcomes. We present an empirical pipeline for estimating the implied preferences that an LLM's observed choices optimize: we elicit the model's probability distribution over unknowns along with the choice it would make for the decision task and then fit a discrete choice model to recover the cost function that best rationalizes the model's decisions. We show how this revealed-preference description allows rigorous evaluation of whether models behave in a consistently goal-directed way, whether they can verbalize a description of their objectives which matches their revealed decision policy, and whether prompting can reliably steer those policies to implement a user-specified cost function. We apply this evaluation across four medical diagnosis domains and multiple frontier and open-source models. We find that while many models have a nontrivial degree of internal coherence, they also have significant weaknesses in faithfully reporting or adopting preferences in response to user direction.
Authors: Muyun Lu, Haoyang Hong, Huazheng Wang, Ying Lin
Abstract: As an extension of the classical multi-armed bandit problem, multi-fidelity multi-armed bandits (MF-MAB) enable individual arms to be evaluated using diverse feedback sources that vary in both cost and accuracy. Prior stochastic models typically assume fixed low-to-high fidelity discrepancies, whereas modern proxy sources, such as learning-based simulators and Large Language Models (LLMs), can be improved using additional calibration. We investigate adaptive MF-MAB with improving proxy sources, and focus on the canonical two-fidelity case in which the low-fidelity source becomes more informative with repeated use. To capture this dynamic, we introduce a selected-average mismatch bound that converts dynamic low-fidelity observations into improvement-aware confidence bounds for the high-fidelity target. We propose the Threshold-Based Adaptive Continuation Companion (TACC), an optimistic algorithm that uses a bounded continuation rule to decide when low-fidelity sampling remains cost-effective and when to escalate. We prove an instance-dependent regret bound showing that, for detected intermediate arms, adaptive continuation replaces logarithmic high-fidelity confirmation with bounded low-fidelity continuation. Experiments on synthetic bandits and an LLM-as-a-judge policy-evaluation task examine when continuation improves cost-weighted regret.
Authors: Clemens Schaefer, Gil Tabak
Abstract: Microscaling is a critical technique for preserving the quality of Large Language Models (LLMs) quantized to ultra-low precision formats. Intuitively, finer block sizes should yield lower quantization error; however, a paradox recently identified in the literature demonstrates that standard abs-max scaling can actually degrade model quality as block sizes shrink. In this work, we investigate the underlying mechanics of this phenomenon. We demonstrate that this degradation is not an inherent limitation of finer granularity, but is primarily driven by heavy-tailed tensor distributions interacting poorly with the coarse upper quantization bins of the FP4 element format. Specifically, we show that i) preventing the scaling factor from underflowing to zero mitigates localized errors, ii) targeted algorithmic interventions like the 4-over-6 methodology effectively correct the quantization geometry for large elements, and iii) a brute-force search establishes an optimal baseline, confirming that the theoretical Mean Squared Error (MSE) strictly improves with finer block sizes. Ultimately, our findings reveal a valuable interchangeability: applying the correct algorithmic recipe allows standard, hardware-compliant formats (like OCP E4M3) to match the performance of custom, wider-exponent formats (like UE5M3). We validate these results across several large language models, fully resolving the block size paradox and achieving robust downstream perplexity improvements.
Authors: Hengyi Zhu, Zhendong Mi, Grace Li Zhang, Shaoyi Huang
Abstract: Large language models (LLMs) have rapidly grown in scale, creating substantial memory and computational costs that hinder efficient deployment. Singular value decomposition (SVD) has emerged as an effective post-training compression technique, but existing SVD-based methods rely on static rank truncation, applying a fixed prefix of singular components to all inputs regardless of their diversity. We identify two limitations of this static design: the optimal rank varies across individual prompts, and the selected rank is sensitive to the choice of calibration set, leading to suboptimal performance across diverse inputs. To address these challenges, we propose $\textbf{PARSE}$, a post-training framework for $\textbf{P}$rompt-$\textbf{A}$ware $\textbf{R}$ank $\textbf{S}$election as $\textbf{E}$xperts in SVD-compressed LLMs. PARSE trains a linear router offline to perform prompt-aware rank selection, decoupling it from calibration information by supervising the router against dense-model outputs on a large-scale corpus. We further observe that rank-selection patterns are shared across semantically similar prompts and remain stable across decoding steps, allowing appropriate rank subsets to be served directly from a pattern cache at inference. Complemented by expert memory aggregation and kernel fusion for system-level efficiency, PARSE is orthogonal to existing SVD-based pipelines and consistently improves both model quality and inference efficiency. Integrated with four representative SVD-based methods, PARSE improves average task accuracy by up to 10% at a compression ratio of 0.6 on LLaMA-7B, and achieves up to 2.5 $\times$ prefill and 2.4 $\times$ decode speedup over native SVD execution.
Authors: Jongseok Park, Sunga Kim, Zhenyu Gu, Ion Stoica, Alvin Cheung
Abstract: Mixture of Experts (MoE) architecture has become the standard for state-of-the-art large language models, owing to its computational efficiency through sparse expert activation. However, sparsity through finer expert granularity is becoming increasingly difficult to achieve due to fundamental training challenges such as expert collapse and load imbalance. In this work, we explore and leverage intra-expert activation sparsity as a complementary and underexplored dimension of sparsity in MoE models. Surprisingly, substantial intra-expert sparsity is readily available in existing pre-trained MoE models, without any modification to the activation function or model parameters, providing up to 90% sparsity within each expert without significant accuracy loss. We explore intra-expert activation sparsity across eight off-the-shelf MoE models ranging from 1B to 400B parameters, and extend the MoE execution pipeline of vLLM to leverage intra-expert activation sparsity by skipping the computations of inactive neurons, on top of its existing optimizations, achieving up to 2.5 times speedup in MoE layer execution and 1.2 times end-to-end speedup compared to the original dense vLLM baseline.
Authors: Jooyeon Kim
Abstract: Developing generalist systems that retain human-like data efficiency is a central challenge. While world models (WMs) offer a promising path, existing research often conflates architectural mechanisms with the independent impact of model \emph{scale}. In this work, we use a minimalist transformer world model to analyze scaling behaviors on the Atari 100k benchmark, using fixed offline datasets derived from a presupposed expert policy. Our results reveal that environments fundamentally fall into distinct scaling regimes, even when constrained by identical offline data budgets and model capacities. For individual tasks, some environments naturally allow models to pass the interpolation threshold, yielding monotonic improvements in the overparameterized regime, while others remain trapped in the classical regime, where larger world models degrade fidelity. In the unified setting, i.e., a single transformer trained on a suite of 26 Atari environments, we uncover that joint training stabilizes scaling dynamics, ensuring monotonic gains across all environments, regardless of their distinct inherent scaling regimes. Finally, we demonstrate that improved fidelity translates directly to downstream control, with policies learned entirely within the simulated dynamics achieving a median expert-random-normalized score of 0.770. Our findings suggest that future progress lies as much in precise scaling strategies as in architectural innovation.
Authors: Xingyu Qu, Tianhao Lin, Yiqi Li, Zhiyu Chen, Sheng Wang
Abstract: Modern online large language model (LLM) services, such as Retrieval-Augmented Generation (RAG) and agent systems, increasingly expose two prominent characteristics: prompt segmentation (e.g., system instructions, retrieved passages, tool outputs) and hotspot skew, where a small set of these segments recurs frequently across user requests. Failing to jointly exploit these patterns could lead to repeated prefill of hot segments and prolonged TTFT, undermining both throughput and user-perceived responsiveness. However, existing work tackles these patterns independently: KV-cache management mainly exploits segment reuse while scheduling reorders requests to improve cache locality, yet neither aligns request admission with KV-cache retention. To address this gap, we first analyze how scheduling and KV-cache management jointly affect TTFT. Guided by this, we present PRISM (Prefix Reuse Optimization Integrated Scheduling and Memory), which co-designs a query-aware scheduler (QAS) with a demand-aware radix tree (DART) to align request admission with exact-prefix KV retention. Our evaluation results show that, versus the strongest baseline, PRISM reduces average per-QPS P99 TTFT by 23.3\% and 37.1\% while increasing exact-prefix KV-cache hit rate by 5.9 and 12.2 percentage points on 4B and 13B models, respectively.
Authors: Jiaxuan Zou, Ruifeng Ren, Yong Liu
Abstract: Long-context language modeling remains central to modern sequence modeling, but the quadratic cost of Transformer attention makes scaling computationally prohibitive. Linear recurrent models address this bottleneck by compressing the context into a fixed-size state, making the rule that forgets, writes, and edits information a central design problem. To address state maintenance, Gated DeltaNet (GDN) combines gated state decay with delta-rule residual writes, using a learnable coefficient to balance forgetting and update magnitude. However, this coefficient is learned empirically rather than derived from the underlying objective, which can lead to suboptimal update magnitudes. We revisit the online-regression objective underlying GDN and, inspired by the Kaczmarz projection method, derive the key-norm-normalized dynamic step size $\beta_t = \eta_t / (\|k_t\|_2^2 + \epsilon)$ for residual updates. We propose Kaczmarz Linear Attention (KLA), a one-scalar modification of GDN that preserves the state shape, gates, linear recurrence, and chunkwise parallel algorithm. At the 0.4B scale with a 1B-token budget, KLA achieves the lowest validation perplexity among evaluated linear-time baselines, 8.09 versus 8.50 for GDN, and remains stable up to 65K tokens. On controlled tasks, KLA reaches 100% on single-needle-in-a-haystack retrieval, improves 8x multi-query associative recall by 7.03 points over GDN, and delivers 2.1x higher decode throughput at 32K context. These results suggest that the key-norm-normalized Kaczmarz coefficient is a first-order design axis for delta-rule sequence models: it improves accuracy, extrapolation, and decoding efficiency without changing the recurrent state or hardware kernel.
Authors: Liam Davis, Leopold Haller, Alberto Alfarano, Mark Santolucito
Abstract: We introduce the Lattice Deduction Transformer (LDT), a recurrent transformer that approximates logically sound deduction by projecting its latent state through a lattice between forward passes. We train on-policy in a process that mirrors deduction in a search-based constraint solver and supervise training via a domain-agnostic, abstract-interpretation-based approximation of the set of solution candidates. An $800$K-parameter LDT achieves $100\%$ accuracy on Sudoku-Extreme and Snowflake Sudoku, at a fraction of the training cost of prior small recurrent reasoners, while remaining empirically sound: the model returns a correct answer or abstains. A $1.8$M-parameter variant reaches $99.9\%$ accuracy on Maze-Hard. Frontier LLMs score $0\%$ on all three benchmarks.
Authors: Chia-Yuan Wu, Frank E. Curtis, Daniel P. Robinson
Abstract: Collaborative machine learning (CML) enables multiple clients to train a global model jointly in a data-distributed setting. To address data privacy and communication efficiency, one-shot CML has been increasingly adopted, where clients communicate with the server only once by sharing synthetic or processed proxy data. This single-round communication, however, eliminates the possibility of iterative correction at the server, making the learning process particularly vulnerable to client unreliability. In this setting, unreliable clients, whether malicious or non-malicious, may provide biased proxy data that favors certain groups, thereby degrading the fairness of the global model and harming minority or unprivileged groups. In this work, we propose a server-side defense framework based on a bilevel optimization formulation. The proposed approach learns client-level weights to mitigate the influence of biased client proxy data while enforcing fairness constraints by using a very small trusted root dataset available at the server. Experimental results on benchmark datasets show that our method improves fairness with little accuracy loss under biased proxy data contributions from unreliable clients. Moreover, the proposed approach remains effective even when unreliable clients make up a majority of the system, consistently outperforming other existing methods.
Authors: Md Atik Ahamed, Mihir Parmar, Palash Goyal, Chun-Liang Li, Qiang Cheng, Tomas Pfister, Jinsung Yoon
Abstract: Time Series Foundation Models (TSFMs) excel at numerical forecasting but operate as black boxes lacking qualitative reasoning. Conversely, applying LLMs directly to temporal data introduces a modality gap: text tokenizers fragment continuous numerical values, degrading mathematical relationships and exploding sequence lengths, leading to computational overhead. To resolve this, we introduce STRIDE (Strategic Time-series Reasoning Injected via Distilled Embeddings), a novel framework natively integrating LLM reasoning into the continuous embedding space of TSFMs. Instead of discrete tokens, STRIDE distills reasoning traces into a lightweight LLM, dynamically projecting its mean-pooled hidden states as a cross-modal prior into the target numerical encoder. The architecture is jointly optimized using cross-entropy and quantile losses. Evaluations demonstrate STRIDE establishes state-of-the-art numerical forecasting on GIFT-Eval (0.674 MASE, 0.454 CRPS) compared to TSFMs and exhibits superior in-domain and out-of-domain numerical as well as reasoning performance on TFRBench. Specifically, STRIDE acts as a plug-and-play enhancement, consistently improving diverse TSFMs (e.g., Chronos-2, Timer-S1) across various LLM configurations. Thus, injecting semantic reasoning as a continuous prior equips TSFMs with human-interpretable reasoning while fundamentally improving predictive accuracy.
Authors: Chao Jin, Xinming Wei, Yinmin Zhong, Chengxu Yang, Bingyang Wu, Ruidong Zhu, Zili Zhang, Yuliang Liu, Xin Jin
Abstract: Load imbalance is a long-standing challenge in Mixture-of-Experts (MoE) training and is exacerbated in reinforcement learning (RL) for LLMs, where hot experts can shift frequently across micro-batches. Existing MoE training systems rely on historical loads to predict future expert demand, making them less effective under sharp fluctuations. We propose ReLibra, an MoE RL training system that exploits a unique opportunity in RL's rollout-training workflow, routing replay, to enable fine-grained load balancing at micro-batch granularity. Because rollout and training process the same tokens with the same MoE parameters, the token-to-expert routing decisions are known before training starts. Leveraging this information, ReLibra places two MoE load-balancing mechanisms at inter- and intra-batch timescales, matching their communication patterns to hierarchical network bandwidths. At the inter-batch timescale, ReLibra performs expert reordering to redistribute experts for batch-level cross-node balancing; at the intra-batch timescale, it dynamically performs expert replication within a node to absorb micro-batch-level load fluctuations. Experiments on diverse MoE LLMs and RL workloads show that ReLibra improves training throughput by up to 1.6$\times$ over Megatron-LM and by up to 1.2$\times$ over EPLB, even when EPLB is given oracle loads. Moreover, ReLibra remains within 6%-10% of the throughput of an idealized balanced baseline.
Authors: Liangqi Yuan, Wenzhi Fang, Shiqiang Wang, Christopher G. Brinton
Abstract: Large language model (LLM) agents face a structural tension: cloud agents provide strong reasoning but expose user data, while on-device agents preserve privacy at the cost of overall capability. Existing device-cloud designs treat this boundary as a compute split rather than a trust boundary suited to agentic workloads, and existing sanitizers force a choice between policy flexibility and the structural fidelity tool calls require. In this work, we develop PAAC, a privacy-aware agentic framework that aligns planner--executor decomposition with the device-cloud boundary so that role specialization itself becomes the privacy mechanism. The cloud agent reasons over typed placeholder tokens that preserve each sensitive value's reasoning role while discarding its content, while the on-device agent identifies sensitive spans and distills each step's execution outcome into compact key findings. Sanitization confines the on-device LLM to proposing which spans to mask, while a deterministic registry performs all substitution and reversal, keeping actions directly executable on device. On three agentic benchmarks under strict privacy settings, PAAC dominates the Pareto frontier of privacy and accuracy, improving average accuracy by 15-36\% and reducing average leakage by 2-6$\times$ over state-of-the-art device-cloud baselines, with the largest margins on privacy targets outside fixed entity taxonomies. We find consistent improvements on 17 additional benchmarks spanning 10 domains, including math, science, and finance.
Authors: Josue Ortega Caro, Yongxu Zhang, Hannah M Batchelor, Sizhuang He, Jessica Cardin, Shreya Saxena
Abstract: Many biological systems evolve through continuous local dynamics while switching between latent regimes defined by learning, stimulus context, internal state, or developmental stage. These processes are often observed only as unpaired longitudinal snapshots: the same cells, neurons, or animals are not tracked as matched trajectories, even though population states are sampled across successive stages. This creates two coupled challenges. First, trajectories must respect curved low-dimensional manifolds embedded in high-dimensional biological measurements. Second, the model must identify when the transport mechanism itself changes. We introduce FLUX (FLow matching for Unpaired longitudinal data with miXture-of-experts), a geometry-aware longitudinal flow-matching framework for joint transport modeling and unsupervised regime discovery. FLUX learns a data-dependent metric from pooled labeled and unlabeled observations, uses that metric to construct geometry-aware conditional paths between adjacent marginals, and decomposes the resulting velocity field into sparse expert vector fields selected by a Straight-Through Gumbel-Softmax router. Across manifold controls, a regime-switching Lorenz system, widefield cortical calcium imaging during associative learning, and embryoid body single-cell differentiation, FLUX reconstructs longitudinal transport while recovering interpretable regime structure. Ablations show that mixture-of-experts routing alone is insufficient: FLUX without geometric learning can fit local transport but fails or weakens regime discovery when regimes are encoded in local dynamics. These results suggest that geometry-aware velocity decomposition provides a general strategy for discovering latent biological state transitions from unpaired longitudinal snapshots.
Authors: Youngsung Kim
Abstract: We study learnable logic gate networks that stack layers of 2-input Boolean gates to build combinational circuits. Every 2-input gate has a unique multilinear polynomial with 4 coefficients, so the 16 Boolean gates form a codebook of prototypes in a 4-dimensional space, reducing training to a vector-quantization problem. The baseline method, Soft-Mix, learns a 16-dimensional softmax over gate identities, but the codebook has rank~4: 11 of 15 simplex directions carry nullspace gradient, and at uniform initialization the backward signal vanishes exactly. We prove that no affine product reparameterization fixes the resulting interaction-coefficient starvation under STE, and show that the covariance Jacobian of soft-VQ selection bypasses it by coupling the starved coefficient to the always-active constant channel. Working in the 4-dimensional polynomial space reduces each neuron from 16 to 4 parameters. On seven datasets, at least one 4-parameter method matches or exceeds Soft-Mix on every dataset; the CovJac advantage over STE grows monotonically with interaction demand across all seven datasets. At depth, Soft-Mix collapses ($-37.3$pp on CIFAR-10 at 12 layers) while CovJac holds ($-0.5$pp on CIFAR-10, stable on MNIST).
Authors: Shan Jiang, Zijian Yi, Chenguang Zhu
Abstract: SKETCHVERIFY is a within-tier cost-performance policy, not a universal accuracy improvement. The operational question: a practitioner stuck with a small, cheap code model (here, Gemini 3.1 Flash Lite) for latency, deployment, or budget reasons -- how should they spend a small amount of extra test-time compute? SKETCHVERIFY factorizes the search space: the LLM enumerates K distinct algorithmic strategies, writes a program sketch for each (a partial program with ?? holes), and fills each sketch M times, producing K x M structurally diverse candidates that are verified by execution and selected by fingerprint clustering. Each extra sketch is guaranteed to explore a different algorithm; each extra flat sample likely duplicates an existing one. Our central evidence is a cost-quality Pareto plot on HumanEval+ across three Gemini tiers (Lite, Flash, Pro), and a reanalysis of the 19 problems where Lite greedy fails. Two findings: (1) Within-tier, sketching dominates flat sampling at matched candidate count. On the hard subset, Lite Sketch K=2, M=5 recovers 11/19 (58%) vs. flat N=10 at 5/19 (26%, +32pp); Lite Sketch K=10, M=10 recovers 15/19 (79%) vs. flat N=100 at 10/19 (53%, +26pp). Flat cannot close the gap even at ~3x the budget: flat N=50 still loses to Sketch K=2, M=5 by +11pp. (2) Cross-tier, sketching does not replace upgrading. Pro greedy (89%) dominates Lite Sketch K=10, M=10 (79%) on both pass@1 and dollar cost. Practitioner rule: if a stronger tier is available, use greedy on it; otherwise sketching is the cost-effective way to spend extra compute. We characterize the K-vs-M trade-off via a Flash Lite scaling sweep, report HumanEval+ saturation on Flash and Pro, and show the method composes cleanly with execution-based selection from the concurrent Semantic Voting line of work.
Authors: Emmanuel Adutwum
Abstract: In the recent literature, Support Vector Regression (SVR) has been cited as one of the weakest performers on the California Housing benchmark dataset, with Preethi et al. (2025)specifically ranking it last among the algorithms they tested, reporting an R2 of only 0.60. This paper examines whether the previously reported performance reflects experimental configuration choices rather than an inherent algorithmic limitation. A structured experimental workflow is applied: ten domain-motivated derived features are constructed from the eight raw inputs, an exploratory ensemble feature importance analysis identifies the most predictive candidates, and a randomised search over hyperparameter combinations with three-fold cross-validation selects the optimal SVR configuration within a leakage-safe scikit-learn Pipeline. A formal four-stage ablation study isolates the contribution of each component: scaling alone accounts for +0.744 in R2 (from -0.054 to 0.690), feature engineering adds +0.026 (to 0.716), and hyperparameter tuning contributes +0.008 (to 0.723). The resulting tuned SVR achieves a test R2 of 0.723, a 0.123-point absolute improvement over the previously reported SVR result (from 0.60 to 0.723, approximately 20% relative gain). In the ten-model comparison, the tuned SVR ranks fourth with R2 = 0.723, below XGBoost (0.832), Random Forest (0.814) and Gradient Boosting (0.783), while substantially outperforming simpler baselines. Ten-fold cross-validation yields a mean R2 of 0.703 (95% CI: [0.630, 0.775]), confirming robust generalisation. The observed improvement from R2 = 0.60 to R2 = 0.723 is associated primarily with proper feature scaling within a unified preprocessing pipeline, with domain-motivated feature engineering and systematic hyperparameter tuning, providing further incremental gains.
Authors: Tianhao Cheng, Zeyu Huang, Zihan Qiu, Yu Cheng, Edoardo Ponti, Yinghui Xu, Ivan Titov, Zenglin Xu
Abstract: A commonly accepted explanation of critic-free RL for LLMs, based on sequence-level rewards, is that it reinforces successful rollouts with a positive advantage while penalizing failed ones. In contrast, we study critic-free RL from a token-level perspective, revealing the token-flipping phenomenon: positive and negative rollouts exhibit remarkably similar proportions of tokens whose probabilities are boosted or suppressed during RL training. To explain this phenomenon, we further show that a token's change in probability is not fully determined by its own advantage; coupled gradient interactions with other tokens also play a non-negligible role. Specifically, these token coupling effects occur primarily between identical tokens that are both predicted with low confidence. Building upon this analysis, we propose the cancellation hypothesis: as a result of coupling, opposing signals cancel out for tokens shared by positive and negative rollouts, while tokens more specific to successful rollouts receive stronger reinforcement, thereby inducing hidden token-level credit assignment from rollout-level rewards. We support this hypothesis with complementary empirical evidence. (1) Compared with training on only positive rollouts, critic-free RL shifts updates from template and formatting tokens toward reasoning tokens; (2) Tokens boosted by critic-free RL consistently demonstrate higher value than suppressed tokens, regardless of whether they originate from positive or negative rollouts. Guided by this view, we implement two batching interventions to encourage or preserve cancellation in critic-free RL training: query-preserved mini-batching and reward-balanced batching. Despite their simplicity, these interventions improve RLVR training across multiple model scales, supporting cancellation as both an explanatory principle and a practical design criterion for critic-free RL training.
Authors: Naoki Masuyama, Yusuke Nojima, Stefan Wermter, Yuichiro Toda, Hisao Ishibuchi, Chu Kiong Loo
Abstract: Online clustering methods that adaptively create and update nodes as data arrive often make node learning explicit, whereas the mapping from the learned node state to output clusters often remains implicit or simplified. Implicit mappings make output clusters sensitive to weak graph bridges or local relations based on distance in the graph over learned nodes, leaving no explicit constraint on which node groups remain intact during mapping. This paper addresses this gap by proposing PHIDA, a persistence-guided node-to-cluster mapping method for online clustering with learned nodes. PHIDA implements this mapping within Adaptive Resonance Theory (ART)-based online clustering by combining Inverse-Distance ART (IDA) node learning with node-to-cluster mapping constrained by Persistent Homology (PH). Experiments on 24 benchmark datasets show that PHIDA achieves the best average ranks in stationary comparisons that include the recent stationary-only clustering methods, while also improving aggregate performance in the nonstationary setting over the evaluated online methods that adaptively create and update nodes. Ablations and comparisons with conventional node-to-cluster mappings indicate that the observed gains are associated with PH-constrained mapping that preserves raw PH components, together with the use of the PH component view during node learning. Source code is available at https://github.com/Masuyama-lab/PHIDA
Authors: Bohan Lyu, Yucheng Yang, Siqiao Huang, Jiaru Zhang, Qixin Xu, Xinghan Li, Xinyang Han, Yicheng Zhang, Huaqing Zhang, Runhan Huang, Kaicheng Yang, Zitao Chen, Wentao Guo, Junlin Yang, Xinyue Ai, Wenhao Chai, Yadi Cao, Ziran Yang, Kun Wang, Dapeng Jiang, Huan-ang Gao, Shange Tang, Chengshuai Shi, Simon S. Du, Max Simchowitz, Jiantao Jiao, Dawn Song, Chi Jin
Abstract: Modern AI progress has been driven by ML methods that are generalizable across settings and scalable to larger regimes. As large language models demonstrate advanced capabilities in reasoning, coding, and engineering tasks, it is increasingly important to understand whether they can discover such methods rather than only apply existing ones. We introduce MLS-Bench, a benchmark for evaluating whether AI systems can invent generalizable and scalable ML methods. MLS-Bench contains 140 tasks across 12 domains, each requiring an agent to improve one targeted component of an ML system or algorithm and demonstrate that the improvement generalizes across controlled settings and scales. We find that current agents remain far from reliably surpassing human-designed methods, and that engineering-style tuning is easier for them than genuine method invention. We further study the effects of test-time scaling, adaptive compute allocation, and context provision on agents' discovery performance, together with case studies of their behavior. Our analyses suggest that the bottleneck is not only in proposing new methods, but also in the scientific insight needed to plan, validate, and scale claims about them. More search, compute, or context alone does not remove this bottleneck. We build and maintain a community platform for cumulative and comparable iteration, and release the data and code at https://mls-bench.com.
URLs: https://mls-bench.com.
Authors: Li Na, Yuanyun Zhang, Shi Li
Abstract: We propose a new class of waveform foundation models that departs from conventional sequence based representations by modeling physiological time series as realizations of latent event processes. Rather than treating signals as collections of local tokens or patches, our approach assumes that clinically meaningful structure arises from temporally extended, interacting events whose boundaries and dynamics are not directly observed. To capture this structure, we introduce a self supervised learning framework that enforces consistency across stochastic segmentations and time frequency projections of the same waveform, encouraging representations that are invariant to signal level perturbations while preserving event level organization. The resulting model combines a segmentation aware encoder with a latent interaction operator that captures dependencies among inferred events, and naturally extends to multimodal settings by aligning modalities through shared event representations. Across a range of physiological benchmarks, including arrhythmia classification, hemodynamic prediction, and waveform retrieval, the proposed method improves performance, robustness, and label efficiency relative to strong sequence based baselines. These results suggest that shifting from signal centric to event centric representations provides a more appropriate inductive bias for modeling physiological dynamics and offers a complementary path to scaling foundation models in healthcare.
Authors: Xiaodong He, Haolan He, Ruiyi Fang, Ming Sun, Zhao Kang
Abstract: Graph foundation models (GFMs) seek transferable representations across graph domains but are limited by structural heterogeneity and incompatible node feature spaces. We propose Structure-Centric Graph Foundation Models (SCGFM), which treat graph topology as the primary source of transferable knowledge. Modeling graphs as metric measure spaces, SCGFM introduces learnable geometric bases that define a shared structural coordinate system. Graphs are aligned to these bases via Gromov-Wasserstein distances, yielding structure-aligned latent representations that accommodate heterogeneous graph topologies. To address feature incompatibility, SCGFM employs a structure-aware feature re-encoding mechanism that unifies node representations without assuming a fixed feature dimensionality or requiring dataset-specific preprocessing. Experiments on graph- and node-level tasks demonstrate strong in-domain and cross-domain generalization, outperforming existing GFM approaches.
Authors: Beshr IslamBouli, David Jin
Abstract: Post-training weight-only quantization to 4 bits is widely used to reduce the memory and compute costs of large language model inference. Existing PTQ methods, such as AWQ and GPTQ, improve how weights are mapped onto a fixed 4-bit grid through scaling, clipping, or error compensation. To further improve accuracy, methods such as OmniQuant and QuIP\# uses gradient-assisted algorithms at the cost of hours of quantization time. In this work, we propose AAAC (Activation-Aware Adaptive Codebooks), a lightweight method for 4-bit LLM weight quantization. AAAC replaces the fixed scalar codebook used in standard quantization with two small learned scalar codebooks (64 bytes) per layer. Each group of weights selects the codebook that minimizes activation-weighted reconstruction error, encoding the choice in the unused sign bit of the group's positive scale and adding zero storage overhead. AAAC completes in 3--30 minutes on a single GPU, and adds no memory beyond the model itself. We evaluate against AWQ, GPTQ, IF4, GPTVQ, OmniQuant, SqueezeLLM, and QuIP\# across model families. AAAC outperforms baselines at orders-of-magnitude less quantization time.
Authors: Matheus Lima Castro, William Dantas Vichete, Leopoldo Lusquino Filho
Abstract: This data paper describes METBRA25Y, a harmonized archive of hourly surface meteorological observations from Brazil derived from public historical records of the Instituto Nacional de Meteorologia (INMET). The dataset was designed to support reproducible environmental, climatological, hydrological, agricultural, urban-risk, and machine-learning studies that require station-level meteorological time series with standardized variable names and explicit quality-control metadata. The processing workflow ingests annual INMET archives, parses station metadata from raw file headers, normalizes heterogeneous Portuguese column names into a canonical schema, constructs hourly timestamps, consolidates observations by city and station, and exports compressed CSV files together with station manifests, per-station quality flags, daily precipitation aggregates, variable-level failure summaries, and missing-data audits. The quality-control protocol follows a two-stage strategy: first, physically implausible values are converted to missing values and flagged; second, temporal and cross-variable consistency checks generate diagnostic flags without necessarily overwriting the original measurements. The resulting package covers observations between 2000 and 2025, with stationspecific temporal coverage, and includes key meteorological variables such as precipitation, air temperature, dew point, relative humidity, atmospheric pressure, wind speed, wind gust, wind direction, and global solar radiation. Based on the summary files included in the current release snapshot, the archive contains 616 unique station codes across variable summaries, of which 605 have coordinates within a broad Brazil plausibility envelope. This paper documents the dataset provenance, file organization, harmonized schema, quality-control rules, technical validation outputs, limitations, and recommended usage practices.
Authors: Weidong Zheng, Kongyang Chen, Yuanwei Guo, Yatie Xiao
Abstract: Class-level machine unlearning aims to remove the influence of specified classes while preserving model utility on retained classes. Existing methods are commonly evaluated by retain-set accuracy, forget-set accuracy, and unlearning time, but these metrics provide limited insight into how forgetting is achieved internally. In this paper, we reveal a bias-dominated shortcut in class-level unlearning: the prediction of forgotten classes can be suppressed by decreasing the corresponding bias terms in the final classification head. We first analyze the gradient dynamics of classification-head biases under softmax cross-entropy training, explaining why retain-set-only optimization tends to reduce the biases of absent classes. Based on this observation, we introduce BiasShift as a diagnostic baseline, showing that simple bias manipulation can satisfy conventional unlearning metrics while leaving abnormal bias patterns that reveal forgotten labels. To mitigate excessive forgotten-class bias suppression, we propose two bias-aware mechanisms, namely Two-Stage Bias Gradient Reversal Mechanism (TS-BGRM) and Lower-Bound Hinge Regularization (LB-HR). We further introduce three bias-oriented metrics, including Bias Stability Coefficient (BSC), Median Bias Gap (MBG), and Minimal Bias Score (MBS), to quantify bias dependence and potential leakage. Experiments on CIFAR-10, CIFAR-100, and Tiny-ImageNet demonstrate that the proposed methods maintain competitive unlearning performance while producing more stable bias distributions. We have released our code at {https://github.com/zwd2024/Beyond-the-Shadow-of-Bias-From-Classification-Head-Bias-to-Parameter-Redistribution}.
Authors: Ke He, Le He, Shunpu Tang, Yafei Wang, Lisheng Fan
Abstract: Expressive generative policies such as diffusion and flow models are appealing for MaxEnt online reinforcement learning because of their ability to model multimodal and highly non-Gaussian action distributions. However, training effective soft generative policies faces two obstacles that often arise together. First, marginal action densities are often unavailable, so existing methods typically rely on entropy bounds, heuristic proxies or approximations. Second, iterative shared-parameter samplers raise inference cost and require backpropagation through time over repeated network evaluations, increasing memory cost and destabilizing policy optimization. These obstacles motivate us to seek a generative policy that exposes a tractable MaxEnt objective while requiring only a single sampled actor forward pass for action generation. To this end, we propose soft generative actor-critic (SoftGAC), whose actor defines a stochastic bridge from a fixed base latent to a terminal action latent in pre-tanh space. This structured bridge allows us to lift the MaxEnt objective as an analytically tractable path-wise relative-entropy objective against a high-entropy reference process. In practical finite-step implementation, this relative entropy reduces exactly to sampled transition control energy and thus provides principled soft regularization. Moreover, we keep the single-pass actor lightweight by using small step-specific bridge transitions, each evaluated only once per sampled action, while maintaining a parameter budget comparable to strong actor baselines. Extensive experiments on challenging continuous-control benchmarks show that SoftGAC attains higher or competitive returns than strong generative policy baselines, including diffusion and flow-matching policies, while staying in the low-latency regime of one-pass actors and showing considerable improvements in the compute-return tradeoff.
Authors: Ziyun Liu, Fengmiao Bian, Jian-Feng Cai
Abstract: Low-Rank Adaptation (LoRA) reparameterizes a weight update as a product of two low-rank factors, but the Jacobian $J_{G}$ of the generator mapping the factors to the weight matrix is rank-deficient, so the factor-space preconditioner $J_{G}^* {F}_t J_{G}$ induced by any ${W}$-space preconditioner ${F}_t$ is singular, and consequently the standard chain rule cannot be uniquely inverted to map a preconditioned ${W}$-space direction back to a factor-space update. We cast existing LoRA optimizers in a unified framework parameterized by two choices: (i) which invertible surrogate for $J_{G}^* {F}_t J_{G}$ to use, and (ii) which ${F}_t$ on ${W}$ to use. Existing methods occupy four families along these axes: factor-space adaptive updates, block-diagonal surrogates for $J_{G}^* J_{G}$, Frobenius-residual pseudoinverse methods, and Riemannian manifold constraint. Within this design space, a gradient-statistics-aware ${F}_t$ paired with a closed-form factor-space solve at ${O}((m+n)r)$ memory remains underexplored. We propose \textbf{AdaPreLoRA}, which fills this gap by adopting the Adafactor diagonal Kronecker preconditioner ${H}_t$ on ${W}$ and selecting from the resulting factor-space solution family the element minimizing an ${H}_t$-weighted imbalance between the two factor contributions; by construction, the resulting factor update is the closest LoRA approximation to the preconditioned ${W}$-space direction under the ${H}_t$-weighted norm. Across GPT-2 (E2E), Mistral-7B and Qwen2-7B (GLUE, ARC, GSM8K), and diffusion-model personalization, AdaPreLoRA is competitive with or improves over a representative set of LoRA optimizers while keeping peak GPU memory at the LoRA optimizer level.
Authors: Xin Li, Hao Jiang, Annan Wang, Yichi Zhang, Chau Yuen
Abstract: On-policy distillation (OPD) is widely used for LLM post-training. When pushed with a reward-extrapolation coefficient lambda > 1, the student can lift past the teacher in domain, but past a threshold lambda* the same step violates the output contract on structured-output tasks. In a single-position Bernoulli reduction, we derive a closed-form base-relative clip-safety threshold lambda*(p,b,c) determined by three measurable quantities: the teacher modal probability, the warm-start mass, and the importance-sampling clip strength. Above lambda*, the extrapolated fixed point exits the clip-safe region, changing training from format-preserving to format-collapsing. We extend the rule to calibrated K-ary listwise JSON tasks where a single binding equivalence class dominates the output contract and SFT retains parse headroom. On Amazon Fashion, three pre-registered tests--a fine-grid cliff interval, a budget-extension test, and a small-clip cross-prediction--fall within their locked prediction windows, with the small-clip value matching the closed-form prediction below grid resolution. Operating just below lambda*, ListOPD brings a 1.7B Qwen3 student to in-domain parity with an 8B-SFT baseline at one-fifth the parameters. The gain is driven primarily by format adherence: NDCG@1 on parsed outputs remains flat across lambda, while parse validity sharply changes at the predicted boundary. The cliff diagnostic is rubric-independent, whereas the parity claim uses a Gemini-graded rubric and inherits that evaluator's exposure.
Authors: Shengkun Tang, Zekun Wang, Bo Zheng, Liangyu Wang, Rui Men, Siqi Zhang, Xiulong Yuan, Zihan Qiu, Zhiqiang Shen, Dayiheng Liu
Abstract: Structured pruning and knowledge distillation (KD) are typical techniques for compressing large language models, but it remains unclear how they should be applied at pretraining scale, especially to recent mixture-of-experts (MoE) models. In this work, we systematically study MoE compression in large-scale pretraining, focusing on three key questions: whether pruning provides a better initialization than training from scratch, how expert compression choices affect the final model after continued training, and which training strategy is most effective. We have the following findings: First, across depth, width, and expert compression, pruning a pretrained MoE consistently outperforms training the target architecture from scratch under the same training budget. Second, different one-shot expert compression methods converge to similar final performance after large-scale continual pretraining. Motivated by this, we introduce a simple partial-preservation expert merging strategy that improves downstream performance across most benchmarks. Third, combining KD with the language modeling loss outperforms KD alone, particularly on knowledge-intensive tasks. We further propose multi-token prediction (MTP) distillation, which yields consistent gains. Finally, given the same training tokens, progressive pruning schedules outperform one-shot compression, suggesting that gradual architecture transitions lead to better optimization trajectories. Putting it all together, we compress Qwen3-Next-80A3B to a 23A2B model that retains competitive performance. These results offer practical guidance for efficient MoE compression at scale.
Authors: Nilesh Sarkar, Dawar Jyoti Deka
Abstract: Sparse autoencoders (SAEs) decompose transformer residual streams into interpretable feature dictionaries, yet the relationship between SAE width and causal influence on model output has not been systematically characterised. We introduce causal dimensionality kappa(L, M, T), defined as the effective rank of the expected Jacobian outer product at layer L, and show it can be estimated via the SAE width sweep paired with attribution patching. Across seven SAE widths from 16,384 to 1,048,576 features on Gemma-2-2B layer 12, representational capacity grows 15.6x while causal capacity grows only 4.35x: a robust separation we term the representational-causal wedge. A saturating fit yields kappa-hat approximately 1,990 with kappa-hat / d_model = 0.86 and participation-ratio lower bound kappa_PR approximately 280. Crucially, kappa is invariant to model scaling: Gemma-2-9B and Gemma-2-2B yield identical N_causal = 328 at the same SAE width despite a 3.46x parameter increase (the count is forced to 2% of SAE width by calibration; the substantive empirical claim is shape invariance of the AtP score distribution under matched seq=512 conditions). Across eight network depths kappa is constant while the absolute attribution threshold drops 20x from layer 1 to layer 23. Five controls (architecture invariance, threshold robustness, geometric privilege, synthetic ground-truth recovery, and a four-cell encoder/decoder ablation) pin down what kappa measures and what it does not. Our findings establish kappa as a measurable, model-intrinsic property of transformer layers: sub-linearly recoverable by SAE width, invariant to model scaling, and structured across network depth.
Authors: James Hazelden, Laura Driscoll, Eli Shlizerman, Eric Shea-Brown
Abstract: In training a neural network with gradient descent (GD), each iteration induces a linear operator that governs first-order updates to a model's internal state variables. We define this operator as the Global Empirical Neural Tangent Kernel (NTK). In finite-width networks, the NTK is typically intractable to form, leading prior work to focus on restrictive settings such as tracking outputs only or taking infinite-width limits. Here, we study the structure of the NTK for a range of models. Formulating the model state as the solution to a single global implicit constraint, we derive the NTK as a product of two operators: K, accounting for immediate parameter-to-state interactions, and P, describing internal state-to-state dependencies. For a broad class of weight-based models, including RNNs and transformers, we prove a universal Kronecker-core theorem showing that K admits an exact, computable form given by the Gram matrix of weight-site variables. This core structure reveals that the NTK is structurally bottlenecked, constraining its effective rank and giving rise to a self-referential bias whereby GD preferentially learns within dominant modes of joint hidden and input activity. For recurrent models, we examine the spectrum of the NTK and show when it is biased and low-rank in space or time under the proposed decomposition. We further demonstrate that model dynamics at initialization bias the NTK, restricting learning and preventing task components from being learned effectively. Finally, we show that the NTK associated with a self-attention transformer is likewise structurally constrained to be low-rank. Overall, we show that the NTK possesses tractable structure that explains GD bias toward task solutions and the emergence of low-rank representations. To enable use of the NTK as a practical metric, we build kpflow, a library relying on randomized matrix-free numerical linear algebra.
Authors: Mikhail Parakhin, Andr\'e M. Carvalho, Patrick Haluptzok
Abstract: We present the Wristband Gaussian Loss, a deterministic batch loss for Gaussianizing point embeddings without sampling, KL terms, or iterative transport. Each $x \in \mathbb{R}^d$ is mapped to a direction $u = x/\|x\|$ and a CDF-transformed radius $t = F_{\chi^2_d}(\|x\|^2)$ on the wristband $S^{d-1} \times [0,1]$. We prove (and machine-verify in Lean~4) that for $d \ge 2$ the pushforward wristband map equals $\sigma_{d-1} \otimes \mathrm{Unif}[0,1]$ iff the source is $\mathcal{N}(0, I_d)$, and that the Neumann-reflected wristband repulsion energy is uniquely minimized at the uniform target. We compute this reflected-kernel objective in two ways: a nearest three-image pairwise truncation at $O(N^2 d)$, and a spectral Neumann path joining angular and radial Mercer modes (spherical-harmonic and cosine) at $O(N d K)$, with empirically matched gradients. A 1D Wasserstein radial term and a moment penalty serve as finite-sample accelerators with the same optimum, and Monte-Carlo null calibration turns the components into a single standardized statistic. We evaluate direct point-cloud Gaussianization with a calibrated barycentric $W_2$ score: a deterministic Gaussian reference batch is built by recursive Hungarian averaging, with each method reported as a $z$-score against same-size Gaussian batches. On the axis-uniform X benchmark, Wristband is competitive in 2D and gives the best 10D score. On a harder radial--angular-copula impostor whose Gaussian radial and angular marginals are correct but dependent, Wristband gives the best 10D and 128D scores. Coupled with learnable-key Euclidean attention and exact invertible flows, the resulting Deterministic Gaussian Autoencoder delivers a Gaussian-latent interface for counterfactual sampling with independent factors and a context/residual construction for dependent factors.
Authors: Emanuele Rossi, Emanuele Rodol\`a
Abstract: Natural language is widely used to describe, prompt, and control audio systems, but rarely serves as the representation carrying audio itself. We introduce lexical acoustic coding (LAC), a framework in which pre-trained LLM sender and receiver agents transmit sound through natural language. Under fixed system prompts, the agents write their own analysis and synthesis code, communicating only through a lexical sentence, shared vocabulary, and optional symbolic music structure. The sender analyzes an input waveform into interpretable, non-learned acoustic descriptors, quantizes each with a feature-specific interval vocabulary, and verbalizes the lexical code as English. The receiver parses the sentence back into lexical-acoustic constraints and renders a waveform through closed-loop refinement. The transmitted text serves as both a rich caption and as the transport representation itself. We frame LAC as a finite-rate lossy quantizer, exposing trade-offs between vocabulary size, rate, and fidelity. Experiments on short sounds and symbolic music transfer show that plain text preserves measurable acoustic structure while remaining interpretable, editable, and native to LLM-mediated communication.
Authors: Euntae Choi, Sumin Song, Sungjoo Yoo
Abstract: Large reasoning models (LRMs) reach competition-level math and coding accuracy via long autoregressive decoding, making per-token decoding cost a primary deployment concern. Weight quantization is the standard tool for acceleration, but representative recipes -- including state-of-the-art end-to-end (E2E) QAT -- lose accuracy on long-decoding reasoning benchmarks despite preserving perplexity and short-decode accuracy. Through a systematic gradient-direction analysis, we identify two factors driving this gap: (i) KV-cache fidelity preservation under the QAT loss, which E2E supervision attenuates via the softmax Fisher metric; and (ii) Hessian-subspace alignment between calibration data and the deployment distribution. We propose LookAhead Quantization (LAQuant), a layer-wise weight-only QAT method that addresses both factors without online-transform overhead by combining reasoning-domain calibration with a one-layer lookahead loss whose implicit cross-layer co-adaptation preserves the next-layer residual stream. For Qwen3-4B under W3G128 quantization, LAQuant improves AIME25 Pass@1 over ParoQuant by 15.11pp (1.93pp over ParoQuant++ at matched calibration) while achieving a 3.42x decoding speedup over FP16 on RTX A6000, compared with ParoQuant's 3.01x.
Authors: Zeqiang Xian, Caihui Liu, Yong Zhang, Wenjing Qiu, Duoqian Miao, Witold Pedrycz
Abstract: Existing granular-ball generation methods are still mainly driven by handcrafted quality measures and heuristic splitting or stopping criteria, which weakens the transparency of local generation decisions in clustering. To address this issue, this paper proposes Minimum Description Length based Granular-Ball Generation (MDL-GBG), a non-parametric and interpretable granular-ball generation method for clustering. MDL-GBG reformulates granular-ball generation as a local model selection problem under the Minimum Description Length principle. For each granular ball, three candidate explanations are compared, namely a single-ball model, a two-ball model, and a core-ball-plus-residual model, and the model with the shortest description length is selected. In this way, ball retention, splitting, and residual peeling are unified within a common coding-theoretic framework. A residual reassignment mechanism is further introduced to globally re-evaluate peeled-off boundary samples after stable granular-balls are formed. Experiments on 20 UCI datasets show that the stable granular-balls generated by MDL-GBG provide a highly competitive upstream representation for clustering, with MDL-GBG+AC achieving the best overall average ranks in ARI, ACC, and NMI among the compared methods. These results demonstrate that MDL-GBG offers an effective and interpretable alternative to conventional heuristic granular-ball generation strategies.
Authors: Qijun Hou, Yuchen Shi, Pingyi Fan, Khaled B. Letaief
Abstract: Federated Learning (FL) facilitates collaborative model training across decentralized clients while preserving data privacy by avoiding raw data exchange. Despite its potential, FL performance is often compromised by data heterogeneity across clients. To address this, Clustered Federated Learning (CFL) groups clients with similar data distributions to improve model performance, but constrained by intra-cluster heterogeneity. Conversely, Personalized Federated Learning (PFL) tailors models to individual clients, but usually neglects the underlying structural similarities among clients. In this work, we investigate a probabilistic mixture (PM) scenario, where each client's local data distribution is modeled as a convex combination of several shared inherent distributions. To effectively model this structure, we propose FedGMI, a framework that utilizes Variational Autoencoders (VAEs) as generative density estimators to represent these inherent distributions and infer the mixture components of clients' local data distributions. This approach enables structured personalization without sacrificing the benefits of collaborative learning. Extensive experiments demonstrate that FedGMI effectively characterizes and discriminate the inherent distributions, as well as accurately estimates mixture proportions. Furthermore, FedGMI maintains robust performance even under communication cost constraints.
Authors: Nikhil J. Dhinagar, Vidhi Chhatbar, Chirag Jagad, Pavithra Senthilkumar, Sophia I. Thomopoulos, Mahir H. Khan, Sook-Lei Liew, the ENIGMA-Stroke Recovery Working Group, Paul M. Thompson
Abstract: Deep vision models degrade sharply in low-data regimes, particularly in medical imaging where labeled samples are scarce. We show this arises not merely from overfitting but from a geometric failure: finite-sample noise corrupts the embedding covariance, collapsing the eigengap and limiting the number of recoverable signal-bearing modes. We develop a spectral theory of finite-sample representation learning that quantifies the recoverable dimension K(N), the number of eigenmodes that can be stably estimated from N samples. Using perturbation theory and concentration bounds, we show that only modes with eigenvalues above the noise floor $\|\hat{\Sigma} - \Sigma\|_{\mathrm{op}} \sim \sqrt{D/N}$ are reliable, yielding a truncated Mahalanobis energy that governs classification performance. Under a power-law spectral model, this energy can be approximated by a truncated Riemann zeta function, linking eigenvalue decay to data efficiency and AUC. Within this framework, multimodal learning acts as spectral stabilization: vision-language models impose low-rank constraints that suppress noise-dominated directions and preserve the eigengap, increasing K(N) under data scarcity. Across MNIST and multi-disease neuroimaging, we show that multimodal training maintains more stable modes and improves class separation, even when unimodal models achieve comparable few-shot accuracy. These results identify spectral collapse as a fundamental bottleneck in low-data learning. We use truncated Mahalanobis energy and K(N) to diagnose encoder quality, and introduce zeta-based spectral filtering as a principled approach to improve data efficiency.
Authors: Renjie Gu, Jiazhen Du, Yihua Zhang, Sijia Liu
Abstract: Unlearning in large language models (LLMs) aims to remove harmful training data while preserving overall utility. However, we find that existing methods often hallucinate, generate abnormal token sequences, or behave inconsistently, raising safety and trust concerns. According to prior literature on LLM honesty, such behaviors are often associated with dishonesty. This motivates us to investigate the notion of honesty in the context of model unlearning. We propose a formal definition of unlearning honesty, which includes: (1) preserving both utility and honesty on retained knowledge, and (2) ensuring effective forgetting while encouraging the model to acknowledge its limitations and respond consistently to questions related to forgotten knowledge. To systematically evaluate the honesty of unlearning, we introduce a suite of metrics that cover utility, honesty on the retained set, effectiveness of forgetting, rejection rate and refusal stability in Q&A and MCQ settings. Evaluating 9 methods across 3 mainstream families shows that all current methods fail to meet these standards. After experimental and theoretical analyses, we present ReVa, a representation-alignment procedure that fine-tunes feature-randomized unlearned models to better acknowledge forgotten knowledge. On Q&A tasks from the forget set, ReVa achieves the highest rejection rate after two rounds of interaction, nearly doubling the performance of the second-best method. Remarkably, It also improves honesty on the retained set. We release our data and code at https://github.com/renjiegu.
Authors: Christopher Lohse, Anish Dhir, Amadou Ba, Bradley Eck, Marco Ruffini, Jonas Wahl
Abstract: Root cause analysis (RCA) in complex systems is challenging due to error propagation across multiple variables, the need for structural causal knowledge, and the computational cost of inference at test time. We introduce PRIM (Prior-fitted Root cause Identification with Meta-learning), a causal meta-learning approach that frames RCA as a Bayesian inference task over a synthetic prior of causal models. By marginalising out structural uncertainty, PRIM implicitly identifies changes in the data-generating mechanism between baseline and anomalous periods. In doing so, PRIM infers distributional differences without explicit statistical testing, and implicitly learns causal structure without model fitting at test time. Following the simulation-based meta-learning paradigm of prior-fitted networks, PRIM uses a Model-Averaged Causal Estimation (MACE) transformer neural process that jointly attends over observational and anomalous samples and the causal structure of nodes, enabling zero-shot inference in 17,ms for systems with up to 100 variables. Across synthetic benchmarks and two realistic benchmark datasets, PetShop and CausRCA, PRIM is competitive with methods that are aware of the system's causal graphical structure a priori while outperforming graph-unaware methods on several tasks. Lightweight fine-tuning to specific domains and data dynamics improves performance further.
Authors: Xingyu Song, Yuan Mei, Naoya Takeishi
Abstract: Modern generative models can be understood as probability transport from a simple base distribution to a target data distribution. Deterministic transport models offer tractable velocity-field parameterizations, whereas stochastic generative models capture richer density evolution through drift and diffusion. Yet when stochastic dynamics are described through deterministic velocity fields, the effects of drift and diffusion are often compressed into a single effective field, obscuring the distinct roles of deterministic evolution and stochastic fluctuation. In this work, we show that the deterministic field \(b_t\) of a stochastic generative process admits a natural transport--osmotic decomposition that separates deterministic transport from stochastic, diffusion-induced effects: \(b_t = u_t + d_t\), where \(u_t\) governs marginal probability transport and \(d_t\) captures an osmotic effect induced by diffusion and determined by the marginal score. Based on this decomposition, we propose Bridge Matching, a flow-based framework for learning decomposed generative dynamics through both marginal and conditional formulations. In generative modeling experiments, we recombine the learned components as \(b_t = u_t + \lambda_d d_t\), showing that the proposed decomposition enables interpretable and controllable sampling by adjusting the osmotic contribution in probability transport.
Authors: Peter Vanya, Katar\'ina \v{S}imkov\'a, Rastislav Farka\v{s}
Abstract: Macroscopic transport modelling aims to predict traffic flows after proposed public policy interventions, such as a new road or railway section or a temporary road closure. As such, it is a vital step in infrastructure planning and development. Traditionally, building a transport model has relied on complex understanding of socio-economic characteristics of the population requiring expensive data collection via surveys, which are prone to biases. Previous numerical frameworks to optimize transport models to fit observed traffic flows are not easily-interpretable and can lead to overfit. We present here an alternative: a data-driven modelling protocol with objective function based on traffic counts, which can be nowadays cheaply and reliably obtained; explainable model weights; and a controlled path to increase model complexity and accuracy. We demonstrate our approach on several toy and realistic examples, and suggest ways to generalize to multimodal systems including public transport.
Authors: Yang Xiao, Huiyuan Chen, Kaiyuan Deng, Chao Jiang, Zinan Ling, Ruimeng Ye, Xiaolong Ma, Bo Hui
Abstract: We propose Compressed Video Aggregator (CVA), a lightweight micro-video recommendation module that decouples video information from preference learning. It aggregates frozen VFM embeddings, and uses latent reasoning without cross-attention projection, producing compact video embeddings for recommenders. Due to the redundancy in the frame count of the original benchmark and its overly coarse sampling, we used titles to re-select key frames based on CLIP. Experiments on MicroLens and Short-Video show consistent gains with orders-of-magnitude reductions in training time and GPU memory, and re-selected frames can further enhance the performance of all methods, including CVA. Furthermore, we also discussed the impact of several scenarios involving erroneous titles on our method. Code will be released soon.
Authors: Yulang Chen, Haoxuan Peng, Jinyan Liu, Zichen Wen, Dongrui Liu, Linfeng Zhang
Abstract: Large Language Model-based Multi-Agent Systems (MAS) have demonstrated remarkable capabilities in complex tasks. However, manually designing optimal communication topologies is labor-intensive, while automated expansion methods often result in bloated structures with redundant agents, leading to excessive token consumption. To address this problem, we introduce \textbf{AgentSlimming}, a plug-and-play compression framework for graph-structured multi-agent workflows. Motivated by pruning and quantization in neural networks, AgentSlimming compresses workflows by first estimating the importance score of each agent with a hybrid mechanism, and then removes redundant agents or replaces them with low-cost ones, where each operation is validated using a baseline-anchored acceptance rule to prevent performance collapse. Experiments show that AgentSlimming reduces average token cost by up to 78.9\% with negligible performance degradation, and sometimes even improves accuracy, achieving a strong Pareto-optimal trade-off between cost and quality. \textit{Our code is publicly available at https://github.com/CitrusYL/AgentSlimming
Authors: Seungik Cho
Abstract: Predicting microbial operon co-membership requires integrating two complementary biological signals: protein-scale molecular identity and genome-context organization. While recent biological foundation models provide powerful representations of each view independently, naive concatenation of these modalities ignores a key biological property -- protein identity and genomic context may agree when adjacent genes form a coherent functional module, or conflict when sequence similarity is misleading but genomic layout indicates independent regulation. We present MicroFuse, a protein-to-genome expert fusion framework that integrates structure-aware protein representations from ProstT5 with genome-context representations from Bacformer through a four-expert Mixture-of-Experts module (protein, genome-context, agreement, and conflict experts) with a learned soft router. Training combines binary cross-entropy with symmetric cross-modal InfoNCE alignment and disagreement-weighted supervised contrastive shaping. We further construct OG-Operon100K, a 100,000-pair scaffold-level benchmark from the OMG metagenomic corpus with biologically grounded positive and negative criteria. On OG-Operon100K, MicroFuse achieves the strongest AUROC, AUPRC, mAP, and mAR among ProstT5-only, Bacformer-only, and Concat MLP baselines. Ablations identify cross-modal contrastive alignment as the dominant component, and a hard sequence-conflict subset reveals MicroFuse's largest gains precisely in biologically ambiguous cases where protein identity alone is misleading.
Authors: Jonas Weidner, Yeray Martin-Ruisanchez, Daniel R\"uckert, Benedikt Wiestler, Julian Suk
Abstract: Neural surrogate models for computational fluid dynamics (CFD) are typically trained as forward operators that map explicit problem specifications, such as geometry and boundary conditions, to solution fields. This ties the model to the conditioning variables seen during training and limits reuse under boundary-condition shifts or local geometry changes. We propose to reformulate steady CFD inference as an inpainting problem: instead of training on explicit boundary conditions, we learn a self-supervised prior over velocity fields and impose boundary constraints only during inference by fixing known regions such as inlet, outlet or unchanged regions from previous simulations. To scale this idea to large 3D meshes, we introduce a local neighbourhood tokeniser that represents high-resolution velocity fields as compact spatial latent tokens and train latent flow-matching and masked-autoencoder models on these tokens. On intracranial aneurysm hemodynamics, our method reconstructs full velocity fields from sparse boundary context, outperforms supervised neural surrogates under boundary-condition and dataset shift and enables local geometry editing by reusing unchanged simulation context. These results suggest that viewing CFD inference as context-conditioned inpainting can turn neural surrogates from task-specific predictors into reusable flow priors.
Authors: Adeel Pervez, Francesco Locatello
Abstract: Autoregressive neural simulators now match classical solvers on short-horizon prediction of physical systems, yet their accuracy degrades rapidly when rolled out over long horizons. In this work, we identify transient amplification of perturbations around rollout trajectories as a structural mechanism driving rollout error. Using a linearization analysis we show that when the Jacobians along an autoregressive trajectory are non-normal and non-commuting, the model amplifies errors transiently, resulting in model rollout drift even when the overall system is asymptotically stable. Building on the analysis, we propose commutativity regularization: a combination of two penalties designed to reduce the normality defect of individual Jacobians and the commutator norm of Jacobians across steps. The penalties are estimated with Jacobian-vector products and have no inference-time cost. We show a propagator bound that quantifies rollout error under approximate commutativity and normality. We evaluate UNet and FNO variants with commutativity regularization on 1D and 2D spatio-temporal data in synthetic and real settings, showing successful long-horizon rollouts over thousands of steps. Further, we show that the method improves FourCastNet climate forecasts on ERA5 without using any new data. The gain is most pronounced out-of-distribution: trained on trajectories of a few hundred steps, regularized models remain in-distribution for thousands of rollout steps on initial conditions where baselines diverge.
Authors: Manuel Heurich, Maximilian Granz, Tim Landgraf
Abstract: Recent advances in uncertainty quantification for time series forecasting show that conformal prediction can provide reliable prediction intervals, yet standard conformal methods are often inefficient under temporal dependence, drift, and heterogeneous error behavior. Existing methods typically either update miscoverage rates over time or learn unconstrained calibration weights, without explicitly separating two central sources of nonstationarity: smoothly drifting error distributions and co-existing distinct error regimes. We introduce RareCP, a regime-aware retrieval method for adaptive conformal time series prediction. RareCP learns local calibration representations through a mixture of cosine-attention experts that each capture distinct error regimes, while a compact hypernetwork adapts the kernel parameters to track temporal drift. Given a new forecasting context, RareCP retrieves the top-k most relevant calibration examples, assigns similarity weights, and forms a weighted conformal quantile over their signed residuals, yielding asymmetric prediction intervals. The adaptive kernel is trained using a smooth interval score objective, with a parameter-space anchor to a lightweight teacher kernel to preserve stable local representations. On the GIFT-Eval benchmark, RareCP improves interval efficiency over recent conformal baselines and foundation model uncertainty estimates while maintaining empirical coverage. Ablations confirm that regime-specific experts, drift-adaptive kernels, sparse retrieval, and teacher anchoring each contribute to the final performance.
Authors: Yuhang Xu, Kaibin Tian, Yang Tian, Zhice Yang, Yifeng Yu, Yan Li, Shengzhong Liu, Fan Wu, Guihai Chen
Abstract: Reinforcement Learning (RL) has become a cornerstone for improving the performance of Large Language Models (LLMs). However, its rollout phase constitutes a significant efficiency bottleneck, mainly arising from the long-tail bubbles across data parallel ranks, particularly in long-context scenarios where faster GPUs remain idle while waiting for stragglers. Existing solutions, such as partial rollout or asynchronous RL, mitigate these bubbles by compromising the algorithm's strict synchronous nature. Instead, we propose BubbleSpec, a novel framework that accelerates RL rollouts while strictly keeping the mathematical exactness. Instead of attempting to eliminate bubbles, BubbleSpec exploits them. We exploit the idle time windows of faster ranks to pre-generate rollout results for subsequent steps, serving as drafts for speculative decoding. Unlike prior speculative methods that rely on historical epoch similarity and warm-ups, BubbleSpec is agnostic to dataset size and provides immediate acceleration from the onset of training. Extensive evaluations demonstrate that BubbleSpec reduces decoding steps by 50% and increases rollout throughput by up to 1.8x. Critically, BubbleSpec is seamlessly compatible with various RL frameworks and strategies as it sustains the strict synchronous property of RL algorithms.
Authors: ZhiMing Li, Yue Song
Abstract: We study online estimation in latent-variable models by recasting the problem as tracking a moving empirical equilibrium. Standard online EM and stochastic approximation analyses primarily study convergence toward the population parameter and typically do not isolate the empirical batch optimum from the online tracking error at finite horizon. Our framework decomposes the online estimate into the frozen batch equilibrium at the current running statistic and a tracking lag that captures the algorithm's delay behind this moving target. We prove a batch-to-online transfer theorem: provided $\lVert e_T \rVert_{L^{2}} = o(T^{-1/2})$, the online estimator inherits the batch central limit theorem and the sharp first-order risk constant. Our key observation is that the empirical optimum evolves on a smooth equilibrium manifold indexed by the running statistic. An $m$-th order equilibrium-jet predictor combined with an order-$\nu$ frozen corrector yields localized tracking rates $O(T^{-\nu(m+1)})$. We formalize EM-compressibility and EM-jet$^R$-compressibility as the structural conditions that make the equilibrium response and the Newton corrector evaluable from a retained streaming statistic. The theory is instantiated in latent linear Gaussian covariance estimation, where the first-order scheme operates on a compressed $d \times d$ statistic with explicit finite-sample risk envelopes and a certified restart rule.
Authors: Farid Hazratian, Ali Zia, Hien Duy Nguyen
Abstract: Out-of-distribution (OOD) robustness is difficult to diagnose when target-domain labels are unavailable. We consider a more restrictive source-only variant of unsupervised accuracy estimation: selecting robust checkpoints using only source-domain representations, with no target samples or target labels. We propose \textbf{TopoGeoScore}, a source-only geometric scorer for label-free OOD checkpoint selection. Given a trained checkpoint, we construct class-conditional mutual $k$-nearest-neighbour graphs from source embeddings and extract three interpretable signals: a torsion-inspired reduced Laplacian log-determinant for global class-manifold complexity, Ollivier--Ricci curvature for local neighbourhood regularity, and higher-order topological summaries for fragmented connectivity, loops, and global--local inconsistency. Instead of fixing their weights by hand, TopoGeoScore learns a non-negative linear score through a self-supervised objective that enforces invariance under approximately geometry-preserving embedding views and separation from structure-breaking views. The score remains interpretable and uses no target-domain samples or labels. Results across CIFAR-based corruption and distribution-shift benchmarks, ImageNet-C, MNLI$\to$HANS transfer, and OGBN-Arxiv suggest that source representations contain measurable global--local--topological evidence of robustness, supporting practical checkpoint selection before deployment under distribution shift.
Authors: Soo Min Kwon, Ziteng Sun, Ananda Theertha Suresh, Himanshu Jain, Sanjiv Kumar
Abstract: Group Relative Policy Optimization (GRPO) has emerged as a powerful algorithm for improving the reasoning capabilities of language models, but often fails to improve small models due to sparse rewards on difficult tasks. Existing works mitigate this issue by leveraging a larger model, either to provide hints for rollouts or to provide dense reward signals through knowledge distillation (KD). However, this assumes the existence of such an oracle, and training one can significantly increase total training time. In this work, we propose CoDistill-GRPO, a co-distillation algorithm that simultaneously trains a large and a small model by maximizing carefully designed GRPO objectives. The two models learn from each other: the small model uses an on-policy KD reward to learn from the large model's distribution, while the large model is updated using rollouts generated by the small model with importance reweighting, reducing the computational overhead of rollout generation. We show that CoDistill-GRPO substantially improves small model performance over standard GRPO on mathematical benchmarks across both Qwen and Llama models. Specifically, with Qwen2.5-Math-1.5B, we observe an accuracy increase of over 11.6 percentage points over the base model and an additional 6.0 percentage points over GRPO on the Minerva dataset. Interestingly, the larger model (Qwen2.5-Math-7B) trained with CoDistill-GRPO nearly matches standard GRPO performance despite training on small-model rollouts. This highlights CoDistill-GRPO as a cost-effective alternative to GRPO for larger models, yielding an approximate 18% speedup, which may be of independent interest.
Authors: Xinyu Li, Ronghui Mu, Lin Li, Tianjin Huang, Gaojie Jin
Abstract: Large Language Models (LLMs) are increasingly deployed as autonomous agents that execute tool-augmented, multi-step tasks, where latency is a critical factor for real-world applications. Yet an overlooked threat is Reasoning-Level Denial-of-Service (R-DoS), in which an attacker preserves task correctness but degrades availability by inflating an agent's reasoning depth or tool-use budget. We introduce OTora, the first unified, two-stage red-teaming framework for instantiating R-DoS attacks. Stage I optimizes an adversarial trigger that induces targeted tool invocations using insertion-aware scoring and dynamic target co-evolution, supporting both black-box and white-box settings. Stage II generates agent-aware reasoning payloads via an ICL-guided genetic search that amplifies overthinking while maintaining correct task outcomes. Across WebShop, Email, and OS agents built on multiple backbone models such as LLaMA-70B and GPT-OSS-120B, OTora achieves up to 10 times increases in reasoning tokens and order-of-magnitude latency slowdowns, all while preserving near-baseline task accuracy. Finally, we discuss mitigation strategies for detecting and constraining abnormal reasoning and latency spikes. The code is available at https://github.com/llm2409/OTora.
Authors: Le-Tuyet-Nhi Pham, Giovanni Conforti, Zhenjie Ren, Alain Durmus
Abstract: Flow Matching has recently emerged as a popular class of generative models for simulating a target distribution $\mu_1$ from samples drawn from a source distribution $\mu_0$. This framework relies on a fixed coupling between $\mu_0$ and $\mu_1$, and on a deterministic or stochastic bridge to define an interpolating process between the two distributions. The time marginals of this process can then be approximately sampled by estimating the transition rates, or more generally the generator, of its Markovian projection. This framework has recently been extended to the case of discrete source and target distributions, under the name Discrete Flow Matching (DFM). However, theoretical guarantees for such models remain scarce. In this paper, we study two DFM models on $\mathbb{Z}_m^d = \{0,\ldots,m-1\}^d$, sampled through time discretization, and derive non-asymptotic associated bounds for both of them. In contrast to previous work, we establish non-asymptotic bounds in Kullback--Leibler divergence for the early-stopped version of the target distribution. We also derive explicit convergence guarantees in total variation distance with respect to the true target distribution. Importantly, these bounds rely only on an approximation error assumption, relaxing standard score assumptions used in earlier works, while also yielding improved dependence on the vocabulary size $m$ and the dimension $d$.
Authors: Chen Wang, Siyu Hu, Guangming Tan, Weile Jia
Abstract: SO(3) equivariant graph neural networks have become the dominant paradigm for atomistic foundation models, achieving high accuracy and data efficiency by building rotational symmetry directly into the architecture. Yet the computational cost of their higher-order tensor operations creates a tough trade-off between model accuracy and inference efficiency. In this paper, we propose a structural pruning method for SO(3) equivariant atomistic foundation models to bridge this accuracy-efficiency gap. The pruning is applied along the channel and order dimensions, with each irreducible representation kept or removed as a complete block, thereby retaining SO(3) equivariance. Starting from a large checkpoint, the pruned model substantially reduces the inference cost while retaining higher accuracy than an independently trained small model. The pruned MACE-MP model outperforms the official from-scratch trained small model on 7 of 9 metrics on the Matbench Discovery leaderboard. In terms of efficiency, compressed MACE-MP and MACE-OFF models contain 1.5$\times$ to 4$\times$ fewer parameters and require 2.5$\times$ to 4$\times$ less pre-training compute than training a small model from scratch. For downstream applications, fine-tuning the pruned model reduces energy and force errors by 70.1% and 34.4% compared to training task-specific models from scratch across eight representative downstream datasets. We demonstrate that the method generalizes to other SO(3) equivariant architectures (SevenNet, eSCN) and can be combined with quantization and knowledge distillation for further gains.
Authors: Ajay Mandyam Rangarajan, Jeyashree Krishnan
Abstract: Machine learning research has grown exponentially while its communication norms have not. We argue NeurIPS should adopt explicit, measurable writing standards. We analyze 2.8 million arXiv papers (1991-2025), 24,772 NeurIPS papers (1987-2024), and 24.5 million PubMed papers (1990-2025), applying classical readability scores, the Hohmann writing style suite (including sensational language), acronym density and reuse, an LLM as judge readability protocol, and citations from OpenAlex and Semantic Scholar. Four patterns emerge. First, NeurIPS abstracts score harder to read on every classical readability metric: Flesch Reading Ease falls from about 24 in 1987 to 13 in 2024, and sensational language rises by about 50 percent in NeurIPS abstracts between 2015 and 2024. Second, acronym density in NeurIPS titles has grown from 0.33 per 100 words in 1987 to 3.21 in 2024, and about 89 percent of NeurIPS acronyms are used fewer than ten times, ten points above the science-wide baseline. Third, more readable NeurIPS papers tend to receive more citations, suggesting readability and impact are correlated and that less readable papers risk remaining fragmented. LLM as judge scores rate NeurIPS abstracts as roughly stable from 1987 to 2022, with early signs of improvement thereafter, a pattern that disagrees with every classical readability metric and raises a design question for enforcement: is the target reader a human or an LLM? Lastly, NeurIPS volume has grown roughly 50-fold between 1987 and 2024. Assuming the goal is to optimise for human readers, we propose seven standards NeurIPS could pilot at NeurIPS 2027: an acronym budget with a venue-approved term list, a human readability threshold, stricter citation standards, standalone visual elements, a plain language summary, a pre-registered acronym glossary, and open source audit tooling.
Authors: Thomas Dooms, Ward Gauderis, Geraint Wiggins, Jose Oramas
Abstract: Sparse autoencoders have become a standard tool for uncovering interpretable latent representations in neural networks. Yet salient concepts often span manifolds that current linear methods cannot capture without post hoc analysis. This paper uses quadratic latents to close this gap: we implement these with bilinear autoencoders, which decompose activations into low-rank quadratic forms, compose linearly in weight space, and admit input-independent geometric analysis. This qualitative difference in what concepts quadratic latents can detect challenges the standard linear representation hypothesis. Our experiments and visualisations show that multi-dimensional geometries are highly prevalent and that composite latents capture them well, systematically improving reconstruction error in language models. Furthermore, we show that autoencoders with varying geometric priors recover the same input subspace despite their dictionary entries being distinct. Practically, these models serve as an unsupervised tool for manifold discovery, which we demonstrate through an interactive online visualizer for Qwen 3.5. This is a step toward nonlinear but mathematically tractable latent representations whose composition is expressive and interpretable by design.
Authors: Safa Alsaidi, Tom\'as Brogueira, Nizar Mahlaoui, Marc Vincent, Guilherme Pelegrina, Nicolas Garcelon, Adrien Coulet, Miguel Couceiro
Abstract: Activated PI3K8 Syndrome (APDS) is a rare genetic immune disorder caused by variants in PIK3CD or PIK3R1, with highly heterogeneous symptoms that often delay diagnosis. Early recognition is hampered by overlapping clinical presentations and limited clinician awareness, motivating systematic, data-driven approaches to detect APDS-associated phenotypic patterns in routine electronic health records. Traditional linear scoring systems cannot capture complex symptom interactions, while deep learning models, though expressive, often lack interpretability. To bridge this gap, we propose Shapley regression, a novel game-theoretic model replacing the linear predictor with a k-additive cooperative game, explicitly modeling co-occurrence of symptoms while maintaining the transparency and convexity of logistic regression. We carry out an empirical study of our lightweight method on eight public biomedical datasets, showing that a 2-additive model with $l_{2}$ regularization achieves an optimal trade-off between predictive power and noise robustness. We also apply it to a real-world cohort of 222 patients, on which Shapley regression accurately distinguished APDS cases from matched controls, confirming and validating phenotypes known to be associated with APDS, and facilitating the exploration of pairwise interactions between symptoms, validated by clinical experts.
Authors: Willy Fitra Hendria
Abstract: Autoregressive inference is typically assumed to scale predictably with decoding length, and key-value (KV) caching is widely regarded as a universally beneficial optimization for accelerating decoding. In this work, we identify unexpected non-monotonic latency behavior in the Apple MPS backend, where latency changes abruptly across nearby decoding configurations. Using transformer models from multiple families (GPT-2, BLOOM, and OPT), we observe latency spikes of up to 21x within specific decoding-budget intervals, followed by recovery at neighboring configurations. Controlled experiments show that these anomalies are not explained by memory pressure or prefill cost, but are instead consistent with backend execution dynamics, while CPU and NVIDIA T4 (CUDA) exhibit smooth monotonic scaling under identical conditions. Our findings highlight the importance of hardware-aware evaluation for autoregressive inference and caution against relying on aggregated decoding-budget benchmarks, as performance can vary discontinuously across nearby configurations.
Authors: Panteleimon Rodis
Abstract: This paper introduces a framework specifically designed for sparse and irregular time series {risk estimation}. It is based on a Transformer Autoencoder with local attention, which leverages the powerful pattern identification capabilities of transformers complemented by traditional data cleaning and normalization methods. It efficiently captures relevant patterns within irregular sequences suffering from sparse data collection, benefiting from the discriminative ability of the local attention mechanism. The proposed framework is applied to a real-world case study, on the risk estimation of non-technical losses in electrical power systems in a wide area in Greece. Non-technical losses in electrical power systems, primarily stemming from electricity theft, pose significant economic and operational challenges. Detecting these anomalies is particularly challenging due to the inherent sparse and irregular nature of real-world data collection practices. Traditional risk estimation methods struggle with effectively capturing long-range dependencies and robustly handling such data characteristics. We demonstrate that our approach effectively yields highly discriminative latent features, which results in more consistent risk estimation compared with existing state-of-the-art and widely used methods. It achieves high recall and precision, meeting the critical objectives of the problem. As such, our solution offers a robust and effective tool for risk detection in irregular time series datasets.
Authors: Hanru Bai, Yuncheng Zhou, Difan Zou
Abstract: Deep learning paradigms, such as PINNs and neural operators, have significantly advanced the solving of PDEs. However, they often struggle to capture the continuous integral nature of physical systems, relying either on pointwise residuals that ignore the integral perspective or on pre-discretized temporal grids. Drawing inspiration from MeanFlow, a continuous-time integrator recently developed to efficiently solve generative ODEs, we introduce Spatio-Temporal MeanFlow, which functions as a novel PDE solver learning the finite-interval evolution of physical states. By substituting the generative velocity field with the physical PDE operator, we transform multi-step numerical integration into an efficient prediction with a freely controllable integration length. Crucially, we extend the original MeanFlow constraint from the temporal to the spatio-temporal domain, coupling time evolution with spatial consistency. This yields a unified framework naturally accommodating both time-dependent and stationary PDEs. Comprehensive experiments on benchmarks demonstrate that our approach achieves superior accuracy and inference efficiency over representative baselines. Furthermore, the proposed integral constraint enables excellent generalization to out-of-distribution initial conditions and varying spatial resolutions.
Authors: Hongtao Zhang, Wenjie Zhou, Wei Chen, Xueqi Cheng
Abstract: Muon orthogonalizes matrix updates, but multi-head attention naturally operates at the level of heads. This granularity mismatch raises the question of whether Muon should be applied to the full attention projection, to individual heads, or to intermediate head groups. We study this question through a one-step descent comparison between full-matrix Muon and group-wise Muon. Our analysis reveals a trade-off between the \textbf{group-wise whitening gain} from group-wise updates and the \textbf{grouping-induced norm cost}, an additional update-norm cost caused by replacing full-matrix whitening with group-wise whitening. Motivated by this trade-off, we propose \textbf{Group Muon}, which treats head group size and grouping rule as optimizer hyperparameters. On GPT-2 Small trained on FineWeb, appropriate grouping improves validation loss over both full-QKV Muon and fully head-wise MuonSplit.
Authors: Ward Gauderis, Thomas Dooms, Steven T. Holmer, Kola Ayonrinde, Geraint A. Wiggins
Abstract: Mechanistic interpretability aims to explain neural model behaviour by reverse-engineering learned computational structure into human-understandable components. Without a formal framework, however, mechanistic explanations cannot be objectively verified, compared, or composed. We introduce compositional interpretability, a category-theoretic framework grounded in the principles of compositionality and minimum description length. Compositional interpretations are pairs of syntactic and semantic mappings that must commute to enforce consistency between a model's decomposition and its observed behaviour. We deconstruct explanation quality into measures of faithfulness and complexity to cast interpretability as a constrained optimisation problem, and introduce compressive refinement to systematically restructure models into simpler parts without altering their function. Finally, we prove a parsimony criterion under which syntactic compression theoretically guarantees more concise, human-aligned explanations. Our framework situates prominent mechanistic methods as subclasses of refinement, and clarifies why their compressibility heuristics tend to align with human interpretability. Our work provides a measurable, optimisable foundation for automating the discovery and evaluation of mechanistic explanations.
Authors: Akihiro Kubo, Kosuke Nakanishi, Shin Ishii
Abstract: Preference-conditioned multi-objective reinforcement learning aims to learn a single policy that captures trade-offs across preferences, but under nonlinear scalarization the uniqueness and continuity of the preference-to-solution correspondence remain unclear. We study this problem in tabular multi-objective Markov decision processes (MDPs) using smooth Tchebycheff scalarization as a monotone utility. Under mild interior conditions on the preference set, we prove that each preference induces a unique Pareto-optimal return vector and that this vector depends Lipschitz-continuously on the preference, providing a principled foundation for preference sweeping toward dense Pareto-front coverage. To compute these targets, we formulate the problem over occupancy measures and derive Concave Mirror Descent Policy Iteration (CMDPI), which achieves an $O(1/k)$ objective-suboptimality rate. We further show that each update is equivalent to solving a Kullback-Leibler-regularized MDP with the previous policy as reference, yielding a policy-iteration interpretation and finite-iterate policy continuity across preferences. We instantiate the update as a deep actor-critic algorithm preserving previous-policy regularization. On eight MO-Gymnasium tasks, it achieves the best average hypervolume rank among recent baselines and strong expected-utility performance. Continuous-control experiments indicate gains beyond the discrete-action setting.
Authors: Binghang Lu, Zheyuan Deng, Runyu Zhang, Bing Hu, Yunhan Zhao, Yuan Tian, Changhong Mou, Guang Lin, Xiaomin Li
Abstract: A central challenge in continual learning for large language models (LLMs) is catastrophic forgetting, where adapting to new tasks can substantially degrade performance on previously learned ones. Existing projection-based methods mitigate such interference by restricting parameter updates to subspaces that are orthogonal to directions associated with past tasks. However, these methods are typically formulated under Euclidean parameter geometry, with update magnitudes and projections governed by the Frobenius norm. The recent empirical success of the Muon optimizer, which applies orthogonalized matrix updates and admits a spectral-norm interpretation, suggests that Frobenius geometry may not be the most effective choice for matrix-valued LLM parameters. Motivated by this observation, we propose Muon-OGD, a spectral-norm-aware continual learning framework that integrates Muon-style operator-norm geometry with orthogonal projection constraints. Our method formulates each update as a spectral-norm-constrained optimization problem with linear non-interference constraints, and solves it efficiently through dual iterations and Newton--Schulz matrix-sign approximations. By applying orthogonalized momentum updates that avoid protected directions associated with prior tasks, Muon-OGD aims to improve the stability--plasticity trade-off in sequential LLM adaptation. We evaluate the proposed method on standard continual learning benchmarks, TRACE, and domain-specific Coding--Math--Medical curricula using both encoder--decoder and decoder-only architectures. Empirically, Muon-OGD consistently improves over sequential fine-tuning and competitive orthogonal-gradient baselines, while remaining computationally scalable. These results suggest that spectral-norm-aware update geometry provides a practical and effective alternative to Frobenius-norm projection for continual learning in LLMs.
Authors: Yang Qiao, Bo Pan, Hao-Wei Pang, Peter Zhiping Zhang, Liying Zhang, Liang Zhao
Abstract: Molecular optimization in drug discovery aims to discover molecules with improved target properties, but practical lead optimization often requires more than high predicted scores. A useful candidate should also be actionable: it should be reachable from known molecules through valid local structural transformations, so that it can be interpreted as a plausible revision within an evolving chemical series. Existing de novo and single-molecule optimization methods do not explicitly model such reachability, especially when both the target molecules and the intermediate molecules connecting them to known compounds are unknown. In this work, we formulate actionable molecular optimization as sequential expansion of a molecule-transfer graph, where nodes are molecules and edges encode valid local transformations. We propose MolWorld, a molecule world model-guided framework that treats the current molecule-transfer graph as an evolving search state. At each iteration, MolWorld selects local anchor contexts, generates candidate molecules conditioned on these contexts, evaluates their properties, and uses a learned world model to update the evolving molecule world by retaining admissible candidates and inserting them into the molecule-transfer graph. The expanded molecule world then guides subsequent optimization. Experiments on property optimization and docking-based tasks show that MolWorld discovers high-property molecules while maintaining substantially stronger structural connectivity, supporting actionable and sequential molecular design.
Authors: Milo\v{s} Hauskrecht, Iyad Batal, Michal Valko, Shyam Visweswaran, Gregory F. Cooper, Gilles Clermont
Abstract: We develop and evaluate a data-driven approach for detecting unusual (anomalous) patient-management decisions using past patient cases stored in electronic health records (EHRs). Our hypothesis is that a patient-management decision that is unusual with respect to past patient care may be due to an error and that it is worthwhile to generate an alert if such a decision is encountered. We evaluate this hypothesis using data obtained from EHRs of 4486 post-cardiac surgical patients and a subset of 222 alerts generated from the data. We base the evaluation on the opinions of a panel of experts. The results of the study support our hypothesis that the outlier-based alerting can lead to promising true alert rates. We observed true alert rates that ranged from 25\% to 66\% for a variety of patient-management actions, with 66\% corresponding to the strongest outliers.
Authors: Michal Valko, Richard Pelikan, Milo\v{s} Hauskrecht
Abstract: Multiple technologies that measure expression levels of protein mixtures in the human body offer a potential for detection and understanding the disease. The recent increase of these technologies prompts researchers to evaluate the individual and combined utility of data generated by the technologies. In this work, we study two data sources to measure the expression of protein mixtures in the human body: whole-sample MS profiling and multiplexed protein arrays. We investigate the individual and combined utility of these technologies by learning and testing a variety of classification models on the data from a pancreatic cancer study. We show that for the combination of these two (heterogeneous) datasets, classification models that work well on one of them individually fail on the combination of the two datasets. We study and propose a class of model fusion methods that acknowledge the differences and try to reap most of the benefits from their combination.
Authors: Carol Xuan Long
Abstract: In this thesis, we develop algorithms with theoretical guarantees for ensuring reliability and accountability of Machine Learning (ML) systems. As ML systems evolve from predictive models to generative models and autonomous agents, the landscape of trustworthy AI has shifted. This thesis introduces tools grounded in information theory, optimization, and statistical learning to mitigate bias, reduce arbitrary decisions, ensure content provenance, and evaluate LLM-driven agents in autonomous settings. Towards mitigating bias and arbitrariness in traditional ML models, we introduce a kernel-based method to achieve multiaccuracy across complex subpopulations that traditional demographic categories may overlook. We also develop methods to address predictive multiplicity, where equally accurate models yield conflicting individual predictions. We ensure the accountability in generative AI through watermarking large language models (LLMs). We characterize the information-theoretic trade-off between watermark detection and text distortion and derive optimal watermarking strategies by leveraging optimal transport and coding theory. Empirical evaluations show our watermarks achieve a superior detection-quality tradeoff across language generation and coding tasks. Finally, we evaluate autonomous LLM agents in multi-agent environments through the first simulator of a fully LLM-driven supply chain. LLM agents offer significant performance gains, outperforming human teams and reducing costs by up to 67%, but also introduce systemic risks, including costly tail events.
Authors: Nabil Mlaiki
Abstract: Standard Transformers impose near-exponential decay on the influence of distant tokens, conflicting with the power-law structure of long-range dependencies in natural language. We introduce the \emph{Variable-Order Retention Transformer} (\VORT{}), a memory architecture in which each ingested token is assigned a learnable fractional order \alpha_i\in[\delta,1] that governs a Gr\"unwald--Letnikov power-law retention kernel. Because the fractional weighted sum is non-Markovian, we approximate it through a sum-of-exponentials (SOE) decomposition computed by Gauss--Laguerre quadrature on a Laplace-type integral representation of the kernel weights. Each exponential component admits a one-step Markovian recurrence at O(Sd_v) per step, where S=O(\log(T/\varepsilon)) terms suffice for \varepsilon-uniform accuracy on horizon [1,T]. Retrieval is keyed and associative via a linear-attention accumulator with an exact O(KSd_\phi d_v) -per-step recurrence. Four results are established: (i) an SOE approximation theorem with geometric convergence rate from the analyticity of the integrand after a log-change of variables; (ii) a quantisation bound valid on [\delta,1] with correct analysis near \alpha=0; (iii) a direct L^2 energy argument (Proposition) showing that for \alpha>1/2 any mixture with fixed minimum decay rate \Lambda>0 incurs L^2([1,T]) error at least N_\alpha(T)-C(\Lambda)\to\infty, with the \Lambda-dependence made explicit; and (iv) linear convergence of a gradient plasticity rule under the Polyak--\L{}ojasiewicz condition. Two synthetic experiments confirm the architectural advantage: a Zipf-distributed retrieval benchmark and an entity label-copy task with uniform lag distribution, the latter ruling out prior-matching as an explanation for the power-law kernel's advantage.
Authors: Tetiana Parshakova, Ahmed Khaled, Michael Crawshaw, Guillaume Garrigos, Robert M. Gower
Abstract: Muon and its variants have shown strong empirical performance in a variety of deep learning tasks. Existing convergence analyses of Muon rely on smoothness assumptions, though arguably the most successful function class for developing deep learning methods (such as AdaGrad, Shampoo, Schedule-Free and more) has been the class of convex and Lipschitz functions. In this paper we question whether the classical convex Lipschitz model is a useful one for understanding Muon. Our answer is no. We show that Muon does not converge on the class of convex and Lipschitz functions, regardless of the choice of learning rate schedule. We also show that error feedback restores convergence of Muon and all the non-Euclidean subgradient methods with momentum. However, this theoretical fix using error feedback degrades the performance of Muon in two representative settings for image classification (CIFAR-10) and language modeling (nanoGPT on FineWeb-Edu 10B). Our conclusion is that convex Lipschitz theory, despite having a prominent role in the design of practical methods for deep learning, is not the most suited one for Muon. This suggests that Muon's success must come from structure absent from this model, most plausibly related to smoothness.
Authors: Yaniv Oren, Viliam Vadocz, Joery A. de Vries, Wendelin B\"ohmer, Matthijs T. J. Spaan, Hendrik Baier
Abstract: Monte Carlo Tree Search (MCTS) is a widely used approach for policy improvement through search with increasing popularity for real world applications. Due to the sequential and deterministic nature of its search, runtime-scaling of MCTS with parallel compute remains a major challenge. We introduce Particle MCTS (PMCTS), to our knowledge the first principled parallel MCTS algorithm which is suited for neural network evaluations and can preserve formal policy improvement guarantees. Empirically, PMCTS scales well with parallel compute and significantly outperforms the popular heuristic-based baselines across domains.
Authors: Amir Masoud Nourollah, Irtaza Khalid, Stefano Leoni, Steven Schockaert
Abstract: Machine Learning Interatomic Potentials play a fundamental role in computational chemistry and materials science, enabling applications from molecular dynamics simulations to drug design and materials discovery. While recent approaches can estimate inter-atomic forces with high precision, it remains unclear to what extent they can generalise to previously unseen molecules. Do they learn the compositional structure of chemistry, capturing how molecular fragments and their combinations determine properties, or do they primarily learn to interpolate patterns that are specific to the training examples? To address this question, we propose a benchmark consisting of four tasks that require some form of compositional generalisation. In each task, models are tested on molecules that were unseen during training, but the training data is chosen such that generalisation to the test examples should be feasible for models that learn the underlying physical principles. Our empirical analysis shows that the considered tasks are highly challenging for state-of-the-art models, with errors on out-of-distribution examples often an order of magnitude higher than on in-distribution examples, even when using foundation models that have been pre-trained on millions of molecules.
Authors: Kiran Naseer, Umar Shoaib
Abstract: Federated learning (FL) is increasingly used to fine-tune foundation models (FMs) on distributed private data. The community largely assumes that large-scale pretraining serves as a 'rising tide that lifts all boats' in federated settings. However, our experiments reveal that these powerful priors can hinder rather than help the most disadvantaged clients under extreme heterogeneity. Through controlled experiments on federated text classification, we compare worst-client accuracy between TextCNN (2.7M parameters) and DistilBERT with Low-Rank Adaptation (LoRA, 66M parameters) across four Non-IID heterogeneity levels. Under extreme label skew (alpha = 0.1), DistilBERT+LoRA produces a worst-client accuracy gap of 50.1% -- 56% larger than TextCNN's 32.2% gap, despite having 25x more parameters and extensive pretraining. Under moderate heterogeneity (alpha >= 0.5), the pattern reverses: the FM nearly eliminates the gap. We call this the FM Fairness Paradox. We further show that an inverse-weighted LoRA aggregation method (FedAvgW) does not resolve the disparity, suggesting aggregation reweighting alone may be insufficient. Our results highlight the need for mechanisms that explicitly protect minority clients before deploying foundation models in high-stakes federated contexts such as healthcare and education.
Authors: Tiffany Yu, Rye Stahle-Smith, Darssan Eswaramoorthi, Rasha Karakchi
Abstract: Graph-based accelerators have been widely adopted in symbolic data processing applications such as genomics, cybersecurity, and artificial intelligence. However, these systems often suffer from excessive memory usage and inefficiencies stemming from redundant graph structures. We present AutoSlim, a machine learning-based framework that leverages data-driven methods to prune automata graphs for hardware accelerators. Using features extracted from prior graph executions and a Random Forest classifier, AutoSlim identifies and removes low-impact nodes and edges. When applied to a Non-deterministic Finite Automata overlay architecture (NAPOLY+), AutoSlim reduces FPGA resource usage by up to 40%, with corresponding improvements in throughput and power efficiency. The framework includes a verification step to ensure functional equivalence after pruning and suggests promising directions for both hardware optimization and security.
Authors: Wen-Bo Du, Tian-Zuo Wang, Han-Jia Ye, Zhi-Hua Zhou
Abstract: In machine learning, a critical class of decision-related problems concerns preventing predicted undesirable outcomes, referred to as the \textit{avoiding undesired future} (AUF) problem. To address this, the \textit{rehearsal learning} framework has been proposed to model influence relations for effective decisions. However, existing rehearsal methods rely on restrictive parametric assumptions such as linear systems or additive noise, limiting their practical applicability. In this paper, we propose the first non-parametric rehearsal learning approach for AUF without assuming specific functional forms of data generation processes. Specifically, we use kernel machinery to reformulate the AUF objective into a unified representation that disentangles desirability modeling from action-induced distributional changes. To handle the discontinuity of desirability indicator, we present a smooth Probit surrogate and provide an approximation error bound. Meanwhile, we capture the action-induced changes via conditional mean embeddings, and develop a kernel ridge regression based nested estimator for AUF objective with consistency guarantees. Such a formulation naturally accommodates nonlinear systems and non-additive noise, and empirical results on synthetic and real-data-derived semi-synthetic benchmarks demonstrate the effectiveness and flexibility of our approach.
Authors: Tianhao Qian
Abstract: Chain-of-Thought (CoT) prompting symbolized a huge improvement of reasoning capabilities of Large Language Models (LLMs). However, scaling up test-time computation yields extensive CoT sequences, introducing severe inference latency and key-value (KV) cache memory bottlenecks. While structural pruning offers a fundamental, hardware-aware solution to alleviate static parameter burdens, existing magnitude-based methods may cut off the neurons of CoT: by over-indexing on discrete cross-entropy objectives, these heuristics fall into a \textit{magnitude trap}: they prioritize high-frequency, low-information syntactic tokens and trigger a disappointing reasoning collapse at high sparsities (e.g., 40\%). To overcome this topological phase transition, we propose \textsc{Relative Kinetic Utility} (RKU), a novel theoretical framework that elevates discrete pruning to a continuous kinetic integral over the depth manifold of the model based on Alternating Gradient Flow(AGF). By modifying it with Fisher trace normalization, RKU acts as a lightweight curvature-aware normalization to isolate \textit{kinetic spikes} -- the fundamental structural pathways responsible for high-curvature logical routing. Extensive experiments on Qwen-2.5-7B and LLaMA-3-8B improves performance in the high-sparsity regime around 40\%. RKU attains 13.34\% accuracy on GSM8K at 40\% sparsity, outperforming the strongest baseline, and appears to better preserve reasoning-relevant representations under out-of-distribution evaluation.
Authors: Minmin Zhang, Sina Aghaei, Soroush Saghafian
Abstract: Large language models (LLMs) have shown remarkable in-context learning (ICL) capabilities, yet their potential for sequential decision-making remains underexplored. In this paper, we study the ICL capabilities of LLMs in sequential decision-making settings, including Markov Decision Processes (MDPs), Partially Observable MDPs (POMDPs), and Ambiguous POMDPs (APOMDPs). We fine-tune pretrained LLMs to perform few-shot decision-making directly from offline, oracle-labeled trajectories. Our framework enables flexible imitation of policies through supervised fine-tuning (SFT). Theoretically, we focus on linear MDPs and interpret a fine-tuned attention layer as implicitly estimating optimal Q-functions from in-context data. Building on this interpretation, we derive an end-to-end suboptimality bound for the induced policy that separates the in-context estimation error from the training-length bias. Empirically, across synthetic MDP, POMDP, and APOMDP settings, we find that fine-tuned LLMs achieve substantially smaller optimality gaps than in-context-only and random baselines, with especially large gains in longer-horizon, partially observed, and model-ambiguous environments. Together, these results show that supervised fine-tuning provides an effective route to endowing pretrained LLMs with sequential decision-making capabilities from offline data, which is an important advantage in domains such as healthcare where offline data are abundant.
Authors: Gianfranco Lombardo, Giuseppe Trimigno, Stefano Cagnoni
Abstract: We investigate the geometry of predictive information across the layers of large language models (LLMs). We repurpose representation lenses-learned affine maps trained to predict the next token from intermediate residual streams-as geometric diagnostic tools. Rather than asking what the model predicts at each layer, we ask where predictive information resides and how it evolves across depth. We define at each layer a predictive readout subspace as the dominant k-dimensional singular subspace of such a map on the d-dimensional residual stream (where k is a resolution parameter), and track its trajectory on the Grassmann manifold as a similarity profile across layers. The profile is well described by unimodal distributions exhibiting a rise, near-plateau, and descent; varying k from 1% to 50% of d traces a Pareto frontier between visibility and energy retention, yet the same structure emerges at all scales. Across eight models from two families (Qwen2.5 and OLMo2, 1B-32B), we identify three geometric phases. Updates are approximately orthogonal to the residual stream throughout; what distinguishes the phases is their effect on the effective rank, which expands, stabilizes, and concentrates. In the first, Seeding Multiplexing, feed-forward memories and attention layers seed a candidate set in superposition in family-specific proportions, with the final token rising as leading candidate from 20% to 35% of positions across this phase. In the second, Hoisting Overriding, updates override existing subspaces to concentrate the candidate distribution without expanding the rank. In the third, Focal Convergence, high-energy low-rank updates write the winner into a form aligned with the unembedding direction. Phases 1 and 3 grow slowly with model depth, while Phase 2 expands linearly. The additional capacity of deeper LLMs is largely absorbed by candidate disambiguation.
Authors: Md Rafid Islam
Abstract: Machine learning-based Android malware detectors often fail in real-world deployment due to domain shift, where models trained on one data source perform poorly on applications from another. This paper presents a comprehensive study on the generalizability and interpretability of permission-based detectors under cross-domain conditions. Using two complementary datasets (PerMalDroid and NATICUSdroid) and five ensemble classifiers, we first establish an intra-domain baseline, where models achieve over 92% accuracy, and then quantify a severe asymmetric performance drop. While models trained on PerMalDroid generalize well to NATICUSdroid (86% accuracy), the reverse direction sees a drastic drop to 73% accuracy. Explainable AI analysis reveals bimodal feature distributions and shows that feature importance is highly unstable, with key permissions losing or gaining influence across domains. The predictive feature sets for different domains are fundamentally mismatched, as models rely on different, dataset-specific permissions. Most importantly, an ablation study demonstrates that for most models, training on a noisy feature set leads to poor generalization, confirming that domain-specific artifacts are a greater obstacle than missing features. To mitigate this, we validate a hybrid training strategy based on the intersection of common features and successfully recover cross-domain performance, achieving 88% accuracy on PerMalDroid and maintaining 97% on NATICUSdroid. These findings highlight the importance of explainable, cross-domain-robust malware detection systems and provide a practical pathway toward improving real-world deployment of permission-based Android malware detectors.
Authors: Thomas Tulinski, Simona Cocco, R\'emi Monasson, Jorge Fernandez-De-Cossio-Diaz
Abstract: Energy-based models (EBMs) are flexible generative architectures inspired by statistical physics, but their learning and generative properties remain poorly understood. Here, we analyze a solvable EBM in the high-dimensional limit: the spherical Boltzmann machine (SBM). Combining tools from random matrix theory and dynamical mean-field theory, we: solve exact equations describing the training dynamics of the SBM; compute the Bayesian evidence, which acts as a partition function in parameter space and encodes global properties of the trained model; and uncover cascades of phase transitions that occur both during training and as a function of hyperparameters, related to successive alignment and condensation of the top modes of the coupling matrix to the data. We connect these transitions to sampling-time generative phenomena in a teacher-student scenario, including: sampling temperature tuning, double descent as a function of regularization strength, tempered posterior effects, and out-of-equilibrium effects during training that induce biases in the trained model. We provide numerical evidence demonstrating that all these phenomena appear in standard generative architectures, beyond the SBM.
Authors: Jiahe Chen, Ziye Ma
Abstract: Zeroth-order (ZO) optimization has become increasingly popular and important in fine-tuning large language models (LLMs), especially on edge devices due to its ability to adjust the model to local data without the need for memory-intensive back-propagation. Recent works try to reduce ZO variance through low-dimensional subspace search, but subspace restriction alone leaves key optimization geometry under-exploited, motivating additional acceleration. In this work, we focus on the hidden layer training problem in which spectral optimizers like Muon outperform AdamW due to its ability to exploit weak spectral directions by orthogonalization. However, we have discovered that unlike in the first-order setting, full orthogonalization works poorly in the ZO setting since the gradient estimates are highly noisy and unreliable. To address this issue, we propose a key approach we call partial orthogonalization. To do so, we replace the iconic Newton-Schulz procedure in Muon with the faster, more concentrated power-iteration method so that it only amplifies dominant spectral directions. Furthermore, to improve the efficiency and generalization of the algorithm, we adopted a streaming variant of power-iteration that requires low variance in gradients, which was achieved through constraining our search inside a subspace obtained through the projection of momentum, echoing recent advances. Experiments on LLM fine-tuning show that our method can achieve from 1.5x to 4x the convergence speed of ZO-Muon, the current SOTA algorithm, across SuperGlue datasets in the OPT-13B model. Across different models, we also reach competitive final accuracies with less time in most cases compared with strong ZO baselines such as MeZO, LOZO and ZO-Muon. Code is available at https://github.com/MOFA-LAB/ZO-MOPI.git.
Authors: Zesheng Liu, Doyup Kwon, Ning Lin, Maryam Rahnemoonfar
Abstract: Accurate and efficient storm-surge emulation is essential for coastal hazard assessment, yet high-fidelity hydrodynamic models remain too expensive for large scenario ensembles and rapid evaluation under heterogeneous climate forcings. We present PACT, a peak-aware cross-attention graph transformer for efficient station-level storm-surge prediction from atmospheric forcing fields. PACT represents each forcing patch as a graph, encodes spatial structure with GraphSAGE, and uses a learned station query to aggregate node information through cross-attention rather than uniform pooling. A Transformer encoder models temporal dependence across the forcing history, and a horizon-query decoder generates lead-specific forecasts from a shared temporal memory. To better capture extreme events, we introduce a peak-aware learning strategy that couples a lightweight auxiliary peak-aware head with a tailored training objective, including a tail-focused loss on peak-dominated samples and a horizon-wise slope regularizer to encourage coherent multi-step evolution. Across multiple tide-gauge stations along the US Northeast coast, PACT outperforms a strong spatio-temporal graph neural network baseline in both RMSE and MAE. Diagnostics show improved peak fidelity and tail preservation for reanalysis and most CMIP6 datasets. PACT is also computationally efficient, requiring about 3.5~s to generate a full winter-season surge trajectory for one year after training. Under distribution shift across five CMIP6 forcings, PACT transfers well within the CMIP6 family but degrades markedly when transferring from reanalysis to climate-model forcings, highlighting a persistent reanalysis--GCM gap.
Authors: Jiuqi Wang, Jayanth Srinivasa, Claire Chen, Shuze Daniel Liu, Ali Payani, Shangtong Zhang
Abstract: Deep continual learning requires models to adapt to new tasks without retraining from scratch. However, neural networks can lose their ability to adapt to new tasks after training on previous ones, a phenomenon known as loss of plasticity. There have been several explanations and diagnostics proposed for plasticity loss. Motivated by the philosophy that "all models are wrong, but some are useful", we ask: can existing diagnostics predict a neural network's plasticity? In this work, we take a practical view to interpret plasticity as trainability, i.e., a neural network's future optimization gain on a target task. We first take a theoretical approach, showing, by constructing a few counterexamples, that some widely adopted diagnostics of plasticity, including representation rank and neural tangent kernel rank, can fail to predict the loss of trainability in both regression and classification settings. We instead propose a novel metric, called optimization readiness, which combines gradient strength and gradient reliability. We prove that optimization readiness lower bounds one-step optimization gain under standard smoothness assumptions, providing a theoretical guarantee for its predictive power. Empirically, we show that across commonly used deep continual learning settings, such as Slowly-Changing Regression and Permuted MNIST, optimization readiness more reliably ranks checkpoints by trainability than prior diagnostics, even with substantially fewer samples.
Authors: Karim Othman, Jonas Petersen, Matei Ignuta-Ciuncanu, Riccardo Maggioni, Camilla Mazzoleni, Federico Martelli, Philipp Petersen
Abstract: We introduce the first universal pretraining corpus for industrial time-series data: FactoryNet. 51M datapoints across 23k end-to-end task executions (13.3k real, 9.8k synthetic) on six embodiments, unified by a shared schema that enables robust zero-shot cross-embodiment transfer and highly parameter-efficient anomaly detection. We introduce a novel schema: Setpoint, Effort, Feedback, Context (S-E-F-C) underlying the whole pipeline that maps any actuated system into a common representational frame. The corpus spans 27 annotated anomaly types alongside healthy baselines and counterfactual pairs across robotic manipulation and machining domains. Cross-embodiment transfer experiments yield positive results: under bias-aware metrics our model demonstrates fair cross-embodiment transfer capabilities on the evaluated source-target pair, while 24 schema-aligned signals achieves competitive anomaly detection performance compared to high-dimensional baselines. We release FactoryNet as a growing, multi-embodiment dataset to drive progress toward industrial foundation models.
Authors: Zhiyao Zhang, Myeung Suk Oh, Zhen Qin, Jiaxiang Li, Xin Zhang, Jia Liu
Abstract: In recent years, bilevel optimization (BLO) has attracted significant attention for its broad applications in machine learning. However, most existing works on BLO remain confined to the single-task setting and rely on the lower-level strong convexity assumption, which significantly restricts their applicability to modern machine learning problems of growing complexity. In this paper, we make the first attempt to extend BLO to the multi-task setting under a relaxed lower-level general convexity (LLGC) assumption. To this end, we reformulate the multi-task bilevel learning (MTBL) problem with LLGC into an equality constrained multi-objective optimization (ECMO) problem. However, ECMO itself is a new problem that has not yet been studied in the literature. To address this gap, we first establish a new Karush-Kuhn-Tucker (KKT)-based Pareto stationarity as the convergence criterion for ECMO algorithm design. Based on this foundation, we propose a weighted Chebyshev (WC)-penalty algorithm that achieves a finite-time convergence rate of $O(ST^{-\frac{1}{2})$ to KKT-based Pareto stationarity in both deterministic and stochastic settings, where $S$ denotes the number of objectives, and $T$ is the total iterations. Moreover, by varying the preference vector over the $S$-dimensional simplex, our WC-penalty method systematically explores the Pareto front. Finally, solutions to the ECMO problem translate directly into solutions for the original MTBL problem, thereby closing the loop between these two foundational optimization frameworks.
Authors: Enrique Hern\'andez Noguera, Md Meftahul Ferdaus, Elias Ioup, Mahdi Abdelguerfi, Julian Simeonov
Abstract: Neural operators for time-dependent PDEs face a structural tension: spectral architectures (FNO and descendants) inherit exponential rollout-error growth from their one-step Lipschitz constant, while hierarchical U-Net operators trade resolution invariance for multi-scale detail. We introduce SpectraNet, an autoregressive neural operator that composes truncated spectral convolutions inside a U-Net hierarchy with a Residual-Target Spectral Block trained under a Semigroup-Consistency Loss. The residual-target parametrization replaces L^T stability blow-up with linear T*delta drift, and the spectral path's parameter count is Theta(L w^2 M^2), independent of grid N. Under a single unified protocol against 16 published neural-operator baselines on Navier-Stokes nu=1e-5 at 64x64, SpectraNet reaches test relative L2 = 0.0822 at 2.04M parameters -- 2.33x fewer than canonical FNO at ~20% lower error -- and wins five of six rows in a cross-PDE comparison against FNO (NS at nu in {1e-4, 1e-3}, PDEBench Shallow-Water 2D and Diffusion-Reaction, with the Active-Matter row going to FNO inside its seed spread). Trained from scratch at native 128^2 under the same protocol, SpectraNet improves to 0.0724 while FNO regresses to 0.3080. Free rollout stays bounded for T=100 where FNO diverges across all 200 test trajectories. On consumer CPU at B=1, SpectraNet runs sub-200ms while the full-attention Transformer that wins raw L2 pays ~60x latency; we do not claim to beat that Transformer on raw L2, only to dominate the lightweight (<=5M parameter, sub-200ms CPU) Pareto frontier. Source code: https://github.com/Enrikkk/spectranet
Authors: Noam Mizrachi, Nadav Har-Tuv, Shai Shalev-Shwartz
Abstract: Selecting a coherent sequence or subset of elements is a fundamental problem in structured prediction, arising in tasks such as detection, trajectory forecasting, and representative subset selection. In many such settings, the target is inherently ambiguous: each input admits multiple valid outputs, while supervision provides only a single sampled instance. This induces a mismatch between the underlying multi-modal target distribution and the observed training signal. We propose Contextual Plackett-Luce (CPL), a structured probabilistic model for sequence selection that extends the classical Plackett-Luce model to a context-dependent setting following an Ising-style parameterization with unary and pairwise interaction terms. CPL can be viewed as a hybrid between fully autoregressive prediction and parallel sequence selection: autoregressive models effectively capture uncertainty but are computationally expensive on modern parallel hardware such as GPUs, while parallel methods are efficient but struggle to represent multi-modal dependencies. CPL combines the strengths of both by constructing the parameters of a probabilistic selection model in a fully parallel manner, followed by a lightweight autoregressive selection process in which each step applies incremental updates to contextual logits. This decoupling of parallel scoring and sequential selection enables efficient computation without sacrificing expressivity. We evaluate CPL on two structured selection tasks: multi-modal path prediction and representative subset selection. CPL achieves improved structural consistency and robustness under ambiguous supervision compared to strong parallel baselines.
Authors: Enoch Hyunwook Kang
Abstract: Personalized alignment aims to adapt large language models to heterogeneous user preferences, yet the precise theoretical conditions for its statistical efficiency have not been formally established. This paper characterizes the conditions under which personalized alignment achieves O(1) online regret and log(1/epsilon) offline sample complexity. We show that these optimal rates depend on a specific user-diversity condition: the population of user-specific heads must span the latent reward directions that can alter the optimal response. We prove that this condition is both necessary and sufficient. When it holds, simple greedy algorithms achieve benchmark efficiency; when it fails, every learner in a natural admissible class incurs at least logarithmic regret. Our results identify user diversity as the fundamental driver of personalized identifiability.
Authors: Hamed Omidvar, Vahideh Akhlaghi
Abstract: Agents built on large language models (LLMs) rely on a range of reliability techniques, including retry, majority voting, and self-consistency, that have been developed in parallel rather than within a common analytical framework. We observe that an LLM sampled at temperature $T$ is a discrete stochastic channel $p(y \mid x)$ in the sense of Shannon's coding theory, and use this identity as the entry point for such a framework grounded in communication theory. Each of these techniques is a special case of one of six classical reliability operators: diversity combining, hybrid retransmission, iterative generator-critic decoding, rateless sampling, structured redundant verification, and difficulty-adaptive routing. Within the framework we give two closed-form results: a noise-variance threshold above which uniform averaging beats quality-weighted averaging, and a contractivity criterion for generator-critic refinement, consistent with a contractive-to-divergent transition we observe between 3B- and 14B-parameter models. We further introduce a cost-aware semantic-nearest-neighbor router whose single Lagrangian knob traverses the quality-cost frontier without retraining. Across six channel configurations spanning local and cloud models on 69 hard tasks, no fixed model-technique-budget choice dominates, motivating per-task allocation. On a 300-item hard split of MMLU, GSM8K, and HumanEval, our router occupies the full empirical Pareto frontier: at matched quality, its normalized cost is ${\approx}56$\% lower than the strongest fixed technique; at matched normalized cost, it improves quality by ${\approx}7$\% ($26$\% over single-shot decoding). These results argue for consolidating these reliability techniques into a single tunable layer informed by channel coding.
Authors: Vatsal Shah, Jiahao Sun
Abstract: Asynchronous DiLoCo systems may receive pseudo-gradients computed several outer rounds earlier, yet the standard Nesterov outer optimizer does not explicitly condition its update on per-update age. This can make the outer momentum buffer brittle under large controlled delays. We propose Cosine Gated Adam Decay (CGAD), a simple, drop-in, age-aware outer optimizer that scales each incoming pseudo-gradient by $\sigma(\tau) = \gamma(\tau) e^{-\alpha\tau}$ before it enters Adam's first- and second-moment buffers; the exponential models information decay and the cosine gate $\gamma(\tau)$ smoothly zeroes contributions past a chosen cutoff. CGAD reduces to plain Adam at $\tau=0$, adds two hyperparameters whose defaults transfer across scales, and extends to partial-sync schedulers via a per-fragment age-aware variant (PA-CGAD). For an idealized gated-adaptive update on smooth non convex objectives, we prove a non-asymptotic convergence bound whose staleness-bias term depends on $\alpha$ alone, rather than on the realized maximum delay $\tau_{\max}$; standard analyses of asynchronous momentum-SGD instead carry a $\tau_{\max}^2$ factor. Empirically, on Llama style language model pretraining at 25M, 1B, and 7B parameters, CGAD trains stably across the controlled delays we sweep. The cosine cutoff acts as scale insurance: the closest baseline, Adam Decay (CGAD without the cutoff), is competitive at 25M but its seed-to-seed $\sigma$ at $\tau=8$ grows 27x from 25M to 7B, pushing its single-shot risk (mean + $\sigma$) above the chance-level loss while CGAD's stays well below. The published Nesterov recipe is the least stable method on the full sweep.
Authors: Gonzalo I\~naki Quintana, Franco Martin Di Maria, Laurence Vancamberg
Abstract: Breast density is a key factor that influences mammography interpretation and is a major source of heterogeneity in multicenter datasets. Such heterogeneity poses challenges for collaborative machine learning across institutions, particularly in Federated Learning. This study aims to evaluate the impact of breast density-induced heterogeneity on FL for mammography image classification and to assess the robustness of common FL algorithms in realistic clinical settings. We conducted experiments under two scenarios: (1) a strongly heterogeneous setting where each participating site contributed exclusively low- or high-density cases, based on the BI-RADS density score, and (2) a population-based setting simulating breast density distributions in White and Asian populations. For the strongly heterogeneous setting, we evaluated two configurations: one with 2 clients, where the cases were grouped as BI-RADS A-B and C-D, and one with 4 clients, where each site contained cases of a single BI-RADS density. We compared three FL methods (FedAvg, FedProx, SCAFFOLD) against centralized training, local-only training, and naive aggregation approaches, including ensembling and weight averaging. Across both scenarios, FL achieved performance comparable to centralized training, while local models and naive aggregation approaches underperformed in the presence of strong heterogeneity. Notably, FedAvg achieved accuracy on par with or exceeding centralized training, demonstrating resilience to breast density-induced data imbalance without requiring specialized heterogeneity mitigation algorithms. These findings show that FL can address breast density-related heterogeneity, supporting its feasibility for real-world mammography workflows. The demonstrated robustness of FedAvg underscores the potential for broad clinical deployment of FL, enabling collaborative model development while maintaining data privacy.
Authors: Bingnan Xiao, Yuan Gao, Bingcong Li, Wei Ni, Xin Wang, Tony Q. S. Quek
Abstract: Sharpness-aware minimization (SAM) is an effective method for improving the generalization of federated learning (FL) by steering local training toward flat minima. Under data heterogeneity, however, device-side SAM searches for locally flat basins that are incompatible with the flat region preferred by the global objective. We identify this structural failure mode as flatness incompatibility, which explains why improving local flatness alone may provide limited training and generalization improvement for the global model. We reveal that flatness incompatibility arises from data heterogeneity and the friendly adversary phenomenon, and is further amplified by local updates and partial device participation. To mitigate this issue, we propose Federated Learning with variance-suppressed sharpness-aware minimization (FedVSSAM), which constructs a variance-suppressed adjusted direction and uses it consistently in local flatness search, local descent, and global update. FedVSSAM anchors both perturbation and update directions to a more stable global direction, instead of correcting only an isolated local perturbation. We establish non-convex convergence guarantees of FedVSSAM and prove that the mean-square deviation between the adjusted direction and the global gradient is effectively controlled. Experiments demonstrate that FedVSSAM mitigates flatness incompatibility and outperforms the baselines across diverse FL settings.
Authors: Vlad Murgoci, Matthijs Spaan, Yaniv Oren
Abstract: Poker is an imperfect information game that has served as a long-standing benchmark for decision-making under uncertainty. To maximize utility beyond the Nash equilibrium, an agent can deviate from Nash-equilibrium policies to exploit suboptimal play. We introduce AlphaExploitem, which extends the competitive RL poker agent AlphaHoldem by using a hierarchical transformer encoder that enables reasoning over previously played hands and modifying the training procedure with the inclusion of a diverse pool of exploitable opponents to facilitate learning to exploit. We train and evaluate AlphaExploitem on two standard benchmarks for imperfect-information games. Empirically, AlphaExploitem successfully exploits weak play by both in- and out-of-distribution opponents, without losing performance against NE opponents.
Authors: Chuning Li, Chris J. Maddison
Abstract: We introduce a predictive model that estimates the pre-training loss of large models from model size (N), batch size (B) and number of weight updates (K). This is the first loss prediction model that can handle changing batch size. The model outperforms Chinchilla's loss model, a model of the test loss using the batch size and number of tokens, in terms of projecting the loss at extrapolated compute budgets (up to 1000 folds). A natural use of the model is to find optimal N, B, K configurations under explicit and compound resource constraints like time, memory and compute. In our experiments, the model-selected configurations are close to ground-truth optimal. Our work advocates for loss prediction as a better alternative to heuristic-based laws, which are growing in complexity. The implementation is available on https://github.com/chuningxdy/Noisy-Quadratic-System.
Authors: Jiamin He, Samuel Neumann, Jincheng Mei, Adam White, Martha White
Abstract: Mixture policies theoretically offer greater flexibility than unimodal policies in continuous action reinforcement learning, but the practical benefits of this complexity remain elusive. Mixture policies are notably absent from most state-of-the-art algorithms, raising a fundamental question: Is the added representational overhead useful? We show that increased flexibility can theoretically enhance solution quality and entropy robustness. Yet standard algorithms like SAC do not leverage these advantages. A core issue is the lack of a low-variance reparameterization trick for mixtures, a luxury Gaussian policies enjoy. We propose a marginalized reparameterization (MRP) estimator to address this, proving it offers lower variance than the standard likelihood-ratio (LR) approach. Our experiments across Gym MuJoCo, DeepMind Control Suite, and MetaWorld show that MRP mixture policies significantly outperform their LR ones, and reach parity (sometimes better) with Gaussian counterparts. In addition, we do find several cases where MRP mixture policies exhibit clear empirical advantages. In this paper, we provide a clearer understanding of the trade-offs involved, elevating MRP mixture policies from theoretical curiosity to a practical tool.
Authors: Arghamitra Talukder, Philippe Chlenski, Itsik Pe'er
Abstract: Learned representations are often invariant to rotational transformations, leaving individual dimensions non-identifiable and interchangeable. We study how Matryoshka Representation Learning (MRL) induces a task-aligned privileged basis distinct from variance-based or regularizer-induced orderings. In the linear setting, we prove that full-prefix MRL recovers the ordered principal directions, and can be computed efficiently using shared statistics. Empirically, we demonstrate that MRL yields consistent per-dimension structure aligned with task signal, where coordinate magnitude reflects informativeness.
Authors: Ryan Lee, Jacob Biloki, Edward J. Hu, Jonathan May
Abstract: Looped language models repeat a set of transformer layers through depth, reducing memory costs and providing natural early-exit points at loop boundaries. However, looped models do not scale as favorably as standard transformers with unique layers. We compare standard and Mixture-of-Experts (MoE) transformers, with and without looping, and find two main results. First, we find Looped-MoE models scale better than the standard baseline while dense looped models do not. We trace this to routing divergence between loops: in Looped-MoE models, different experts are activated on each pass through the same shared layers, recovering expressivity without additional parameters. Our second finding is that looped models have better compute-quality trade-offs with early exits than standard models. Because each loop ends with the same layers that produce the final output, loop boundaries are superior exit points, as confirmed by earlier output convergence at these points. In sum, we provide a clear direction for scaling looped models: a Looped-MoE model with early exits can not only beat standard transformers at scale, but also enable significant memory and inference savings with minimal degradation in quality.
Authors: Ankit Hemant Lade, Sai Krishna Jasti, Indar Kumar, Aman Chadha
Abstract: A Mamba state-space model trained only for next-step prediction appears to recover Granger-causal structure through a simple readout $S = |W_{out} W_{in}|$, with early experiments suggesting the phenomenon generalized across architectures and benefited from interventional data at $p < 10^{-5}$. We package the protocol used to test that claim -- standardized synthetic generators (VAR/Lorenz/CauseMe-style), three intervention semantics ($do(X=c)$, soft-noise, random-forcing), edge-provenance cards on three real datasets, and size-matched control arms -- as a reusable falsification benchmark, and walk the claim through it in five stages. The method-level claim does not survive: (i) a plain linear bottleneck does as well or better; (ii) tuned Lasso beats the bottleneck on synthetic CauseMe-style benchmarks, and on Lorenz-96 (the only real benchmark with unambiguous ground truth) classical PCMCI and Granger lead a tight cluster in which the bottleneck trails; (iii) the headline intervention advantage is roughly 60% a sample-size confound, and the residual disappears under standard $do(X=c)$ interventions, surviving only under a non-standard random-forcing scheme; (iv) even that residual reproduces, with a larger effect, in classical bivariate Granger -- the effect is method-agnostic. What survives is a narrow characterization result; the benchmark is the lasting artifact, and each stage above is one of its control arms.
Authors: Peng Cao, Zhijian Yang, Tennison Liu, Jonathan Wang, Jiang Wu, Magdalena Proszewska, Arvind Pillai, Mingwu Gao, Amir Farjadian, Lawrence Cai, Emily Blanchard, Daniel McDuff, Pramod Rudrapatna, Matthew Thompson, Anupam Pathak, Mark Malhotra, Shwetak Patel, Dina Katabi, Paolo Di Achille, Ming-Zher Poh
Abstract: Wearable sensors enable the continuous acquisition of high-resolution physiological waveforms, such as photoplethysmography and accelerometry, under free-living conditions. However, inferring health-related phenotypes from these signals presents significant challenges due to high sampling frequencies, multimodal dependencies, and extreme sequence lengths (e.g., weeks of recordings), compounded by a scarcity of ground-truth labels. To address these challenges, existing self-supervised learning (SSL) methodologies typically follow two paradigms: (1) learning rich morphological representations from short waveform segments while collapsing longitudinal dynamics through simple aggregation, or (2) modeling behavioral patterns from coarse, hand-crafted features (e.g. heart rate, step counts) spanning longer horizons but foregoing subtle, predictive signatures in raw waveforms. To bridge this gap, we propose WavesFM, a foundation model utilizing a two-stage SSL framework for longitudinal physiological data. Specifically, we decompose the learning problem into two stages: first, a segment-level encoder is pretrained to extract local embeddings from short waveforms; subsequently, a temporal encoder is trained to model the sequence of these embeddings across a multi-day horizon. This hierarchical approach overcomes the computational complexity of high-resolution, long-sequence data, allowing the overall model to capture both local signal semantics and the complex circadian and inter-day variations governing physiological dynamics. Pretrained on over 6.8M hours (N=324k individuals) of recordings for the first stage and 5.3M hours (N=10k) for the second stage, WavesFM demonstrates superior performance across 58 diverse tasks spanning demographics, lifestyle, health conditions, and medications.
Authors: Aditya Ranganath
Abstract: Training large language models requires optimization algorithms that are not only statistically effective, but also computationally and memory efficient at extreme scale. Although Adam remains the dominant optimizer for large-scale language-model pretraining and fine-tuning, recent work has revisited nearly every component of the optimization stack: adaptive moment estimation, decoupled weight decay, memory footprint, curvature approximation, sign-based updates, large-batch stability, low-rank gradient structure, and matrix-wise orthogonalized updates. This survey reviews optimizer design for large language models through a systems-and-optimization lens. We organize the literature into classical first-order optimizers, adaptive optimizers, memory-efficient variants, second-order and curvature-aware methods, sign-based and discovered optimizers, low-rank and projection-based methods, and matrix-based optimizers such as Muon. We also discuss benchmarking methodology, including hyperparameter fairness, scale dependence, wall-clock efficiency, token efficiency, memory overhead, and downstream evaluation. We argue that optimizer research for LLMs is entering a new phase: moving from single-algorithm speedup claims toward rigorous, scale-aware comparisons that jointly evaluate convergence, stability, memory, and implementation complexity.
Authors: Surbhi Goel, Jonathan Pei, James Wang
Abstract: Behavior cloning provides strong imitation learning guarantees when training and test environments share the same dynamics. However, in many deployment settings the test environment's transitions differ from training, and classical offline IL offers no recourse: the learner must commit to an action at every state, even when its demonstrations are uninformative and could lead to arbitrary degradation of performance. This motivates the study of selective imitation, where the learner may choose to stop when it cannot act reliably. We introduce a model for selective imitation under arbitrary dynamics shift: given labeled expert demonstrations from a training environment and unlabeled state trajectories from the same expert in a test environment, the learner outputs a selective policy that is complete (rarely stops in training) and sound (incurs low regret before stopping in test). Our algorithm, SeqRejectron, constructs a stopping rule using a small set of validator policies whose size is independent of the horizon or policy class. For deterministic policies, this yields horizon-free $\tilde{O}(\log|\Pi|/\epsilon^2)$ sample complexity, assuming sparse costs. For stochastic policies, we obtain analogous horizon-free guarantees using a cumulative Hellinger stopping time. We extend the framework to misspecified experts and different expert policies across train and test and obtain results that gracefully degrade with the amount of misspecification.
Authors: Yang Zhou, Can Jin, Zihan Dong, Zhepeng Wang, Yanting Yang, Shiyu Zhao, Lei Li, Runxue Bao, Yaochen Xie, Dimitris N. Metaxas
Abstract: Reinforcement learning improves the reasoning ability of large language models but remains costly and sample-inefficient, as many rollouts provide weak learning signals. Difficulty-aware data selection methods attempt to address this by prioritizing moderately difficult prompts, yet our analysis reveals three limitations: difficulty estimates become inaccurate under policy drift, data selection alone yields limited final-performance gains, and inference efficiency remains largely unchanged. These findings suggest that efficient and effective RL requires more than filtering by difficulty: the policy should learn to solve hard tasks while producing concise responses for easy ones. To this end, we propose **Dare**, a unified framework that co-evolves difficulty estimation with the policy via self-normalized importance sampling, maintains diverse difficulty coverage through a symmetric Beta sampling distribution, and applies tailored training strategies across difficulty tiers with adaptive compute allocation. Extensive experiments across multiple models and domains demonstrate that **Dare** consistently outperforms existing methods in training efficiency, final effectiveness, and inference efficiency, producing more concise responses on easy tasks while improving correctness on hard ones. Code is available at https://github.com/EtaYang10th/DARE.
Authors: Christopher M. Bryant, Hao Liu
Abstract: The scaling laws guiding modern model training were calibrated for a single regime: data-rich, single-epoch pretraining. The dominant such scaling law form, Chinchilla's $L = E + A/N^\alpha + B/D^\beta$, has three structural limitations outside that regime: it diverges as unique data shrinks instead of saturating at the uninformed baseline; it cannot represent overfitting when capacity exceeds the data; and it conflates total examples seen with unique examples available. We propose a closed-form extension, $L(N, D, T) = E + (L_0 - E)\,h/(1+h)$ with $h = a/N^\alpha + b/T^\beta + c\,N^\gamma/D^\delta$, that decomposes loss into undercapacity, undertraining, and overfitting terms. It saturates between the irreducible loss $E$ and an uninformed baseline $L_0$ fixed by the loss type, and reduces to Chinchilla in the data-rich, single-epoch limit. We validate it on four multi-epoch experiments spanning four architecture families (MLPs, ResNets, Fourier neural operators, and transformers) across vision, scientific ML, and language domains, and refit it to five published LLM scaling-law grids. Extrapolating to higher compute and larger unique data than seen at fit time, our form achieves state-of-the-art RMSE on every published LLM grid we evaluate and on most cells of our constructed experiments. Once calibrated, the form admits a cost-aware allocation that recovers Chinchilla's optimum when data is free and shifts toward smaller corpora and more epochs as data grows expensive.
Authors: Steve Hanneke, Kun Wang
Abstract: We study adversarial noisy bandits given a known function class $\mathcal{F}$. In each round, the adversary selects a function $f \in \mathcal{F}$, the learner chooses an arm, and then observes a noisy reward determined by the chosen arm and the function $f$. The goal is to minimize the cumulative regret $R(T)$, defined as the difference between the learner's performance and that of the best fixed arm in hindsight over $T$ rounds. We say that a function class $\mathcal{F}$ is learnable if there exists an algorithm achieving sublinear regret. Our main results concern characterizing learnability. The main quantity appearing in our characterization is a convexified variant of the generalized maximin volume introduced by Hanneke and Wang (2025). For oblivious adversaries, we characterize learnability in terms of this convexified generalized maximin volume. For adaptive adversaries, we show that the same quantity characterizes learnability when the arm space is countable. Our analysis builds on a connection between convexified generalized maximin volume and the existence of simple hitting sets. We further conjecture that the same quantity also characterizes learnability when the arm space is uncountable, via its relation to a new complexity measure, which we call the distribution covering number. This notion can be viewed as a strengthened form of the hitting set that still admits efficient learning via the multiplicative weights algorithm. We also pose a number of relevant open questions regarding this problem.
Authors: Shaun Christopher Lee, Sangeetha Abdu Jyothi
Abstract: Backpropagation is inherently sequential across depth, creating an $O(K)$-deep dependency chain that bottlenecks parallel training. While parallel-scan formulations theoretically reduce this depth to $O(\log K)$, they are computationally prohibitive for modern architectures due to the $O(d^3)$ cost of composing full-rank $d\times d$ Jacobians over the entire hidden state. We introduce Latent Bounded Interfaces (LBI), an algorithmic formulation that makes scan-based backpropagation tractable by restricting inter-region communication to a low-dimensional latent interface, $ m_k \in \mathbb{R}^{r}$, where $r \ll d$. This reduces the adjoint recursion to a suffix scan over $r \times r$ Jacobians, cutting per-combine cost from $O(d^3)$ to $O(r^3)$ while preserving exact gradients under the bounded-interface model. We demonstrate that LBI maintains model quality across four architectures (Mamba-2, Mamba-3, Transformer, and a Mamba--Transformer hybrid) at 47--61M block parameters. Interfaces of dimension $r=16$ suffice to preserve training quality within 0.16--0.35 cross entropy of dense baselines. The resulting framework provides an algorithmic foundation for region-parallel training, reducing cross-device backward communication to a single scan over $K$ fixed-size matrices, of approximately 56 KB for our experimental configurations.
Authors: Bowen Liu, Haijian Lai, Chan-Tong Lam, Junhao Dong, Benjamin Ng, Wei Ke, Sio-Kei Im
Abstract: Although many complex models were proposed to analyze time series data, some studies have demonstrated remarkable performance with simpler structures. A recent study proposed a non-parametric framework for 3D point cloud classification, which has the potential to be adapted for time series forecasting and enable interpretability. Inspired by the previous works, we present TSNN, a non-parametric and interpretable framework for traffic time series forecasting. TSNN consists of multiple layers that decouple the time series by matching the entries in a memory bank, where the memory bank is constructed using a similar matching process within the training set. It leverages the periodicity in traffic data to enhance forecasting accuracy while maintaining a simple model architecture. The proposed model operates without trainable parameters, preserving its inherent interpretability. In the experiments, TSNN achieves competitive performance compared to the typical deep learning models in four real-world traffic flow datasets. We also visualize the decoupling process to show the effectiveness of the components. Finally, we demonstrate the interpretability of the model and illustrate the contribution of each time step within the memory bank.
Authors: Chulabhaya Wijesundara, Andrea Baisero, Zhongheng Li, Gregory Casta\~n\'on, Alan Carlin, Christopher Amato
Abstract: Centralized training with decentralized execution (CTDE) is a standard framework for cooperative multi-agent policy-gradient reinforcement learning, allowing agents to learn from joint information while acting from local observations. Ratio-based trust-region methods such as Multi-Agent Proximal Policy Optimization (MAPPO) and Multi-Agent Simple Policy Optimization (MASPO) update decentralized actors using per-agent probability ratios weighted by joint advantage estimates. Teammate non-stationarity increases the variance of these advantages, which in turn increases the variance in the local ratio updates. This exposes two method-specific failure modes: MAPPO's additive clipping removes gradients for outlier samples and weakens recovery from policy drift, while MASPO's soft quadratic penalty can allow probability collapse. We introduce Multi-Agent Ratio Symmetry (MARS), a novel policy optimization objective that replaces these additive ratio-based trust-region mechanisms with a multiplicatively symmetric geometric barrier. MARS preserves corrective gradients while assigning unbounded cost as probability ratios approach zero. Across 47 tasks spanning eight multi-agent environments, including novel JAX benchmarks PaxMen and AeroJAX, MARS matches or exceeds MAPPO and MASPO in aggregate environment-level performance. Ablations show that these gains arise from the geometry of the symmetric barrier rather than from flexible trust-region boundaries alone.
Authors: Qingyue Zhao, Kaixuan Ji, Heyang Zhao, Quanquan Gu
Abstract: \emph{Kullback-Leibler} (KL) regularization is ubiquitous in reinforcement learning algorithms in the form of \emph{reverse} or \emph{forward} KL. Recent studies have demonstrated $\epsilon^{-1}$-type fast rates for decision making under reverse KL regularization, in contrast to the standard $\epsilon^{-2}$-type sample complexity. However, for forward-KL-regularized objectives, existing statistical analyses are either not applicable or result in $\tilde{O}(\epsilon^{-2})$ slow rates. We take the first step towards addressing this problem via a streamlined analysis of forward-KL-regularized offline CBs. We give the first $\tilde{O}(\epsilon^{-1})$ upper bounds in tabular and general function approximation settings, both under notions of \emph{single-policy concentrability}. In particular, our convex-analytical pipeline unifies these settings by exploiting the pessimism principle in a novel way and completely bypasses the proof routines in previous works based on the mean value theorem, which might be of independent interest. Moreover, we provide rate-optimal lower bounds, manifesting the tightness of our upper bounds in terms of statistical rates. Our lower bounds also demonstrate that the forward-KL-regularized sample complexity recovers the unregularized slow rate in the low-regularization regime, similarly to the reverse-KL regularization.
Authors: Daniel Matsui Smola, Alex Smola
Abstract: Fairness impossibility results often look like distinct scalar incompatibility statements. We show that several share one RKHS geometry: fairness criteria are linear constraints on conditional mean embeddings, and unequal base rates make the law of total expectation overdetermine those constraints. This view yields four results. The Kleinberg--Mullainathan--Raghavan dichotomy needs only group-conditional unbiasedness, not full calibration. The \emph{Pok\'emon theorem} shows that a distinct group pair satisfying any finite collection of linear mean-fairness criteria leaves a residual violation witnessed by the MMD, decaying at the Kolmogorov $m$-width rate under spectral regularity. The same tools prove an impossibility for fair feature learning: parity and class-conditional separation in representation space force class collapse under unequal base rates. The approximate relaxations yield signal and error frontiers, allowing a trade-off between real-world estimators and fairness goals. Experiments on standard fairness benchmarks are consistent with our bounds.
Authors: Collin Francel
Abstract: Sparse autoencoders (SAEs) have been used widely to decompose and interpret neural network activations, especially those of transformer language models. One key issue with SAEs is their inability to directly model multidimensional features. Instead, SAEs may tile such features by a set of independent directions that must be grouped together after the SAE training phase, impeding discoverability and interpretation of learned feature representations. We begin to address this issue by introducing the Sparse MIXture of Autoencoders (SMIXAE) architecture. Empirically, we provide evidence that SMIXAE models have success both in directly learning previously identified manifold structures, as well as finding novel structures, within the open source Gemma 2 2B and 9B models. Finally, we discuss several limitations and point towards areas for future work.
Authors: Sepehr Harfi, Ahmad Salimi, Dongming Shen, Alex Smola
Abstract: Most LLM benchmarks score how well a model responds to explicit requests. They leave unmeasured a different conversational ability: noticing and acting on needs the user has implied but not said. We call this \emph{conversational proactivity}. ProactBench decomposes it into three phase-tied types: \textsc{Emergent}, inference from a single disclosed anchor; \textsc{Critical}, synthesis across multiple anchors; and \textsc{Recovery}, grounded forward-looking value after task completion. We operationalise the benchmark with three agents: a Planner, a User Agent, and an Assistant Model. Their information asymmetries defend against style-confounded scoring, rubric leakage, external-context contamination, and information dumps. The released corpus contains 198 curated dialogues with 624 trigger points across 24 communication styles drawn from a psychometric inventory and audited by an independent LLM judge. Across 16 frontier and open-weight models, \textsc{Recovery} is both difficult and weakly predicted by six standard benchmarks, making it a useful new evaluation signal.
Authors: Juanwu Lu, Ziran Wang
Abstract: One-step generative modeling has emerged as a leading approach to amortize the inference cost of diffusion and flow-matching models. Among distillation-free methods, MeanFlow training is notoriously unstable, with non-decreasing loss and unbounded gradient variance. In this work, we establish a theory that attributes this pathology to a misuse of the conditional velocity field: it plays two distinct statistical roles in the loss, both as an unbiased regression target and as a Monte Carlo control variate inside a Jacobi-vector product, with the original loss assigning the wrong coefficient to the latter. We derive the optimal coefficient in closed form, and show that a family of fixes in concurrent works corresponds to different practical realizations of the same optimum. A controlled sweep of this coefficient on two-dimensional benchmarks and on a latent Diffusion Transformer recovers the predicted bias-variance ordering. The optimal coefficient yields up to a %54 improvement in sample quality on two-dimensional benchmarks and a monotone FID trend at every matched-step DiT checkpoint. Crucially, the same DiT measurement also reveals a quantitative FID-MSE landscape mismatch: although gradient variance is minimized at an interior coefficient value, the coefficient that minimizes FID prefers the direct use of conditional velocity.
Authors: Yibang Li, Bihari Lal Pandey, Ravi Sah, Andi Han, Cyrus Mostajeran, Pratik Jawanpuria, Bamdev Mishra
Abstract: Muon and related norm-constrained matrix optimizers have become central to large-scale learning problems. They are formulated as a linear maximization oracle (LMO) over an ambient matrix-norm ball in unconstrained Euclidean space. However, these do not generalize cleanly to manifold-valued parameters such as low-rank factorizations, orthogonality constraints, or symmetric positive definite (SPD) matrices. Naively restricting the Muon LMO to the tangent space (i) breaks quotient symmetries and (ii) couples the tangent-space constraint with an ambient norm bound, thereby obstructing closed-form solutions on various manifolds of interest. We resolve both issues with a single observation: every Riemannian metric canonically lifts a unitarily invariant Euclidean norm to an intrinsic norm on each tangent space, and the resulting intrinsic norm constrained LMO is symmetry preserving. Building on this, we introduce intrinsic Muon (iMuon), a unified framework that yields closed-form updates on the fixed-rank, SPD, Stiefel, and Grassmann manifolds for any unitarily invariant norm, including the spectral, Frobenius, and nuclear norms. We establish convergence guarantees for both deterministic and stochastic iMuon with rate constants that depend only on the manifold dimension. Notably, on the fixed-rank manifold this constant depends only on the rank, making the rate independent of factor conditioning and removing the runtime factor-rescaling required by prior work. Experiments on LoRA finetuning of LLMs, image classification, and subspace learning illustrate the efficacy of the proposed approach.
Authors: Kai Zhao, Dongliang Nie, Yuchen Lin, Zhehan Luo, Yixiao Gu, Deng-Ping Fan, Dan Zeng
Abstract: Joint-Embedding Predictive Architectures (JEPAs) provide a simpleframework for learning world models by predicting future latent representations.However, JEPA training is subject to a bias-variance tradeoff.Without sufficient structural constraints, excessive representationalvariance causes the model to collapse to trivial solutions.The recent LeWorldModel (LeWM) shows that this issue can be alleviated bysimply constraining latent embeddings with an isotropic Gaussian prior.However, latent representations inherently lie on low-dimensional manifoldswithin a high-dimensional ambient space, and enforcing an isotropic Gaussianprior directly in this ambient space introduces an overly strong bias.In this work, we propose ame, which seeks a favorable operatingpoint on the bias-variance frontier by applying Gaussian constraints inmultiple random subspaces rather than in the originalembedding space.This design relaxes the global constraint while preserving itsanti-collapse effect, leading to a better balance between trainingstability and representation flexibility.Extensive experiments across fourcontinuous-control environments demonstrate that consistentlyoutperforms LeWM with very clear margins.Our method is simple yet effective, and serves as a strong baseline for future JEPA-based world model research.fdefinedeeemodeThe code is available at https://github.com/intcomp/Sub-JEPA.
Authors: Shuhei Kashiwamura, Timothee Leleu
Abstract: We introduce a use of the \(M\)-cover (or \(M\)-layer) transform for machine learning. The method replicates a model \(M\) times, but instead of coupling the copies through parameter averaging or an explicit attractive force, as in replicated SGD or Elastic SGD, it rewires the contexts in which local learning messages are computed. Each local loss is evaluated on a routed model whose parameters are drawn from different copies according to permutations sampled from a structured mixing kernel \(Q\). Training then uses the original local update rule, while the resulting learning messages are redistributed across the copies through these routed computational paths. Thus \(Q\) defines a topology for message transport and controls the long-loop structure of the lifted factor graph. We formulate this construction for perceptrons, committee machines, and multilayer perceptrons, showing that the same principle applies from discrete models to differentiable neural networks. The resulting framework provides a mechanism for improving generalization through structured message sharing rather than replica collapse or parameter-space coupling.
Authors: Ruiying Peng, Mengyu Yang, Jing Lei, Xiaohui Li, Xueyu Wu, Xinlei Chen
Abstract: Supervised Fine-Tuning (SFT) is widely used for task-specific adaptation, yet recent work shows it systematically undermines reasoning generalization. We argue the root cause is not memorization itself, but its target: vanilla SFT drives models to exploit and memorize spurious surface correlations in problem-solution pairs, leaving them brittle to superficial input variations. To address this, we propose Theorem-SFT, which reorients supervision toward explicit theorem application by teaching models how rules are invoked rather than what answers look like. Theorem-SFT yields consistent gains across benchmarks and model families: +8.8% on MATH (LLaMA3.2-3B-Instruct) and +20.27% on GeoQA (Qwen2.5-VL-7B-Instruct) without modality-specific re-training. Fine-tuning MLP layers alone matches full-layers performance, implicating feed-forward components as the primary locus of reasoning rules. Our findings reframe the debate: Generalization failures stem not from memorization as a mechanism, but from memorizing the wrong inductive targets.
Authors: Zhiming Huang, Jamie Morgenstern, Aaron Roth, Claire Jie Zhang
Abstract: We study online multicalibration beyond the worst-case. We give a single, efficient algorithm which dynamically interpolates between benign and worst-case sequences by adaptively refining a dyadic grid of prediction values. Its error is controlled by the number of leaves in the refinement tree. Our analysis recovers the known $\widetilde O(T^{2/3})$ worst-case-optimal rate for online multicalibration, while simultaneously automatically adapting to easier instances: in the marginal stochastic setting it obtains a rate of $\widetilde O(\sqrt T)$, and for piecewise-stationary means with $J$ segments its rate is $\widetilde O(\sqrt{JT})$. More generally, the rate depends on a threshold-complexity measure of the predictable mean process relative to the group family. We show that this dependence is tight up to logarithmic factors.
Authors: Jinhua Lyu, Tianmin Yu, Brian Kim, Lizhuo Zhou, Chanwook Park, Naichen Shi
Abstract: Direct diffusion modeling of high-resolution spatiotemporal fields is computationally challenging. Parameter-efficient primitives address this by representing high-dimensional data with a compact set of parameters. In this paper, we construct data-dependent tensor primitives without pretrained compression autoencoders. Our construction starts from Tucker decomposition, which captures low-rank multilinear structure through a core tensor and mode-wise factors. However, Tucker factors are non-unique: the same tensor can be represented by different rotated factors, which complicates generative modeling. We address this issue with orthogonal Procrustes (OP) alignment. Specifically, we select medoid anchor matrices from the data and align the factor matrices to resolve the gauge ambiguity. This yields matrix Grassmannian primitives and tensor Grassmannian primitives that are compact, data-adaptive, and directly decodable by explicit multilinear reconstruction. Theoretically, we prove that the proposed primitive maps are homeomorphisms between low-rank tensors and their corresponding primitive spaces, certifying that the representations are non-degenerate and topologically faithful. Building on these primitives, we propose *Diffusion in Aligned Tensor Space* (DiffATS), a generative framework that trains diffusion models directly on aligned tensor primitives. Across images, videos, and PDE solutions, DiffATS achieves strong unconditional and conditional generation performance while compressing original data by $3.9\times$ to $210\times$, without relying on any pretrained deep compression autoencoders.
Authors: Wenxuan Liu, Zecheng Hao, Tong Bu, Yuran Wang, Zhaofei Yu
Abstract: Spiking transformers have shown strong potential for neuromorphic vision, yet their token processing across multiple spiking steps still introduces substantial redundancy and inference cost. Existing token reduction methods mainly rely on response based cues, such as activation magnitude, firing statistics, or feature similarity. Although effective, these criteria do not explicitly characterize token importance from the perspective of temporally evolving class evidence. In spiking transformers, token representations are progressively formed across multiple spiking steps rather than determined at a single instant, suggesting that token importance should be evaluated not only by instantaneous responses but also by temporal uncertainty patterns. Our key observation is that tokens exhibit heterogeneous uncertainty trajectories over time, and that their temporally aggregated uncertainty statistics provide an effective cue for distinguishing informative tokens from redundant ones. Motivated by this, we propose Uncert, a training free and plug and play token importance estimation framework for spiking transformers. Specifically, Uncert models token wise class evidence with a Dirichlet distribution and summarizes each token temporal uncertainty using its mean and fluctuation across spiking steps, yielding an uncertainty aware importance score for token reduction during inference. Experiments on both static and neuromorphic benchmarks show that Uncert achieves favorable accuracy and efficiency tradeoffs, with the most consistent gains observed under token pruning. Further analysis reveals a clear empirical connection between temporal uncertainty patterns and token contribution, offering new insights into token dynamics in spiking transformers.
Authors: Zhiming Huang, Bingshan Hu, Jianping Pan
Abstract: We revisit combinatorial Thompson sampling (CTS) for semi-bandits with sleeping arms, where arm availability varies over time and actions must satisfy combinatorial constraints, as in wireless mesh routing with fluctuating link availability. Despite its practical relevance, CTS has been hindered by several long-standing problems: (i) the absence of worst-case regret guarantees in the semi-bandit setting even without sleeping arms, (ii) the lack of theory under adversarially varying availability, and (iii) the consistently weak empirical performance of CTS with Gaussian priors (CTS-G). This paper resolves these long-standing issues by providing the first worst-case regret analysis of CTS-G, proving an upper bound of $\tilde{O}(m\sqrt{NT})$ and a matching lower bound of $\tilde{\Omega}(m\sqrt{NT})$. To bridge the gap between theory and practice, we further propose CL-SG, a simple CTS-G variant that samples a single shared Gaussian seed each round to coordinate exploration across arms. We show that CL-SG achieves an improved regret bound of $\tilde{O}(\sqrt{mNT})$, together with a matching lower bound $\Omega(\sqrt{mNT})$. Experiments on real-world datasets demonstrate that CL-SG consistently outperforms strong baselines including CTS-G and CTS-B, and we open-source our implementation for reproducibility.
Authors: Hongyaoxing Gu, Xinzhe Chen, Lijuan Hu, Fangfang Liu
Abstract: Mixture-of-Experts (MoE) models achieve remarkable performance by sparsely activating specialized experts, yet their massive parameters in experts pose significant challenges for deployment. While low-rank quantization offers a promising route to compress MoE models, existing methods still incur nonnegligible memory overhead and inference latency. To address these limitations, we propose \textsc{TileQ}, a fine-tuning-free post-training quantization (PTQ) method that employs 2D-tiling structured low-rank quantization to share low-rank factors across both input and output dimensions of MoE experts. Furthermore, we introduce an efficient inference technique for \textsc{TileQ} that fuses multiple low-rank expert computations into a single-pass operation, significantly improving hardware utilization. Experiments show that \textsc{TileQ} cuts down additional memory usage up to 10$\times$ and reduces inference latency to $\sim$5\% while preserving state-of-the-art accuracy.
Authors: Jiyeon Kim, Youngjoon Hong, Won-Yong Shin
Abstract: Mesh-based simulations provide high-fidelity solutions to partial differential equations (PDEs), but achieving such accuracy typically requires fine meshes, leading to substantial computational overhead. Super-resolution techniques aim to mitigate this cost by reconstructing high-resolution (HR), high-fidelity solutions from low-cost, low-resolution (LR) counterparts. However, training neural networks for super-resolution often demands large amounts of expensive HR supervision data. To address this challenge, we propose SuperMeshNet, an HR data-efficient super-resolution framework for mesh-based simulations aided by message passing neural networks (MPNNs). At its core, SuperMeshNet introduces complementary learning, a semi-supervised approach that effectively leverages both 1) a small amount of paired LR-HR data and 2) abundant unpaired LR data via two jointly trained, complementary MPNN-based models. Additionally, our model is enriched by inductive biases, which are empirically shown to further improve super-resolution performance. Extensive experiments demonstrate that SuperMeshNet requires 90% less HR data to achieve even lower root mean square error (RMSE) than that of the fully supervised benchmark without the inductive biases. The source code and datasets are available at https://github.com/jykim-git/SuperMeshNet.git.
Authors: Ethan Hsu, Hong Meng Yam, Ivan Ge
Abstract: Partial differential equation (PDE) solvers underpin scientific computing, but real-world deployment is bounded by compute. Classical Monte Carlo solvers such as Walk-on-Spheres (WoS) are unbiased and geometry-agnostic but are slow. Learned solvers are fast but biased and brittle under distribution shift. We present \textbf{MC$^2$}, a hybrid WoS-Neural Network (WoS-NN) PDE solver that treats a low-budget Monte Carlo solution as a structured estimator of the true field and learns a single-pass neural correction to recover a high-fidelity solution. MC$^2$ matches the accuracy of solutions using over $1000\times$ more Monte Carlo compute, outperforming all evaluated classical, denoising, and neural-operator baselines. To enable reproducible study of finite-compute PDE solving, we additionally release \textbf{PDEZoo}, the largest standardized elliptic PDE benchmark to date: 2M PDEs spanning five elliptic families and unlimited geometric compositions, with analytic ground truth and multi-budget Monte Carlo trajectories. Together \textbf{MC$^2$} and \textbf{PDEZoo} (1) empirically establish that finite-sample Monte Carlo error is structured, learnable, and correctable in a single forward pass, (2) show that we can solve PDEs $\sim$\textbf{1000x} faster than with just WoS, and (3) provide the evaluation infrastructure the field has so far lacked.
Authors: Liping Deng, MingQing Xiao
Abstract: Prediction-based approaches are widely used in neural architecture search (NAS), where a predictor estimates the performance of candidate architectures to guide selection. However, existing predictors are typically trained via supervised regression on limited samples, leading to overfitting and poor generalization to unseen architectures. In this work, we propose a fundamentally different formulation that models performance prediction as a conditional function inference problem using a Convolutional Neural Process (ConvNP) with meta-learning capabilities. Instead of fitting a fixed mapping to limited samples, our approach meta-learns to infer performance from partial observations by training with context-target splits across a group of synthesized tasks, explicitly optimizing for generalization under data scarcity and aligning the training procedure with the deployment setting in NAS. We further design simple yet effective meta-features for cell-based architectures and evaluate our method on NAS-Bench-101 and NAS-Bench-201. Extensive experiments show that our approach consistently improves top-K ranking quality and achieves the state-of-the-art architecture selection using limited samples.
Authors: Zhengyan Wan, Yidong Ouyang, Panwen Hu, Qiang Sun
Abstract: Discrete flow models (DFMs) are a class of flexible generative models for generating discrete data, and diffusion large language models (dLLMs) can be viewed as a special case with a specific choice of mixture path and a masked source distribution. While several recent works have explored reinforcement learning into dLLMs, its application to more general discrete flow models remains underexplored. In this work, we present discrete Flow-GRPO (dFlowGRPO), a unified reinforcement learning framework for discrete flow models that supports a broad family of probability paths and non-masked source distributions. We derive the full trajectory probability for DFMs and formulate denoising as a Markov decision process, enabling dFlowGRPO to incorporate information from both the associated conditional transition rates and the posterior model during reinforcement learning. We apply dFlowGRPO to FUDOKI, a recent multimodal discrete flow model, and evaluate it on both image generation and multimodal understanding tasks. Empirical results show that dFlowGRPO outperforms existing GRPO-type methods for dLLMs on text-to-image generation tasks and achieves performance competitive with continuous flow-based models trained using FlowGRPO, while also demonstrating strong capabilities on understanding tasks.
Authors: Muhammed Ustaomeroglu, Guannan Qu
Abstract: We propose Representational Effective Theory (RET), a framework for describing large language model computation in terms of learned macrostates rather than microscopic details. RET learns these macrostates from hidden-state trajectories using a BYOL/JEPA-style self-supervised objective, coarse-graining activations into macrovariables that preserve higher-level structure relevant for prediction and interpretation. We evaluate whether these macrovariables are practically relevant for interpretability: RET yields temporally consistent states that reveal "mental-state" trajectories of reasoning, capture high-level semantic structure, support early prediction of behavioral outcomes such as sycophancy, and provide causal handles for steering generations toward interpretable computational phases. Together, these results suggest that LLM computation admits useful effective descriptions via RET: high-level, dynamically meaningful variables that support interpretation, prediction, and intervention.
Authors: Samuel J. K. Chin, Maximilian Schiffer
Abstract: The Capacitated Vehicle Routing Problem (CVRP) underpins modern last-mile logistics. Current Neural Combinatorial Optimization (NCO) methods construct CVRP solutions autoregressively, inheriting sequential decoding bottlenecks, sensitivity to spatial symmetries, and brittle out-of-distribution behavior. We revisit the classical Cluster-First-Route-Second (CFRS) paradigm -- long known to be asymptotically optimal but largely overlooked by NCO -- and argue that it is structurally aligned with the core strengths of deep learning: similarity and assignment over global context, rather than the construction of long sequential tours. We introduce Neural CFRS, the first purely non-autoregressive one-shot neural CFRS framework for the CVRP. It enforces global fleet-capacity constraints end-to-end via a differentiable entropic Optimal Transport layer, producing a continuous transport plan to sparsify an exact capacitated assignment solver. We provide formal theoretical guarantees that our architecture intrinsically abstracts away $E(2)$ spatial, inter-route permutation, and intra-route traversal symmetries. By equipping the framework with a pre-trained spatial vocabulary, we unlock extreme parameter efficiency and zero-shot scaling. Designed primarily for real-world spatial distributions under a constant capacity setting, Neural CFRS scales robustly to out-of-distribution $N=1000$ instances with a < 4% gap -- retaining an approximate 5% gap at this scale even as an ultra-lightweight, single-layer architecture. Furthermore, when deployed out-of-the-box on standard benchmarks, we achieve a highly competitive 2.73% optimality gap on size-100 problems.
Authors: Chaitanya Amballa, Sattwik Basu, Jorge Van\v{c}o Sampedro, Romit Roy Choudhury
Abstract: We study posterior sampling for inverse problems in discrete state spaces using discrete diffusion models as generative priors. While continuous diffusion models have become widely used for inverse problems, their discrete counterparts remain comparatively underexplored. Existing discrete posterior samplers often rely on continuous relaxations of discrete variables, Gibbs-style updates, or mechanisms specialized to particular corruption processes, which can limit scalability or generality. We propose $\Delta$LPS, a Discrete Langevin-Inspired Posterior Sampler that uses gradient information to identify promising discrete moves without leaving the discrete state space. The resulting approach enables efficient parallel updates across all token dimensions and is agnostic to the training paradigm of the discrete diffusion prior, including masked and uniform-state diffusion. We evaluate our method on image restoration tasks across MNIST, CIFAR, and FFHQ, as well as spatial mapping, covering linear, nonlinear, and blind inverse problems. Across these settings, we improve over recent discrete diffusion posterior samplers and are competitive with strong continuous diffusion-based inverse solvers. Our results suggest that fully discrete, gradient-informed posterior samplers offer a scalable and general path toward solving inverse problems over discrete representations.
Authors: Jeonseong Kim
Abstract: Diffusion language models (DLMs) offer a structural alternative to autoregressive generation: denoising can update tokens in arbitrary orders or in parallel rather than along a fixed left-to-right chain. In practice, fast DLM decoding remains strongly order-sensitive and often drifts toward autoregressive-like trajectories. We trace this tension to compatibility. At each reverse-time step, a DLM provides local denoising conditionals over the unresolved tokens. Arbitrary-order denoising becomes well defined when these local conditionals compose into order-invariant pseudo-joints. We formalize this view by defining order-induced pseudo-joints and a local denoising circulation: the log-ratio between the two pseudo-joints obtained by swapping a pair of unresolved positions. This circulation is zero under compatible conditionals, and global order gaps decompose into sums of local circulations along adjacent swaps. We further separate incompatibility-driven path dependence from conditional-dependence error in parallel updates and from order-specific estimation error. The resulting framework provides inference-only diagnostics for testing when DLM decoding is genuinely order-free.
Authors: Seungwoo Kum
Abstract: Graph Neural Networks (GNNs) excel at relational reasoning but face two persistent challenges: the lack of interpretable attribution for heterogeneous node types, and the computational overhead of message passing over large, noisy graphs. We propose the Hierarchical Attention-based Heterogeneous GNN (HA-HeteroGNN), a framework that addresses both issues through a unied explainability-to-pruning pipeline. A two-tier attention mechanism separates sensor-level and context-level computation across 16 node types and 18 edge types, producing per-node relevance scores via an attention-based GNN Explainer without requiring gradient backpropagation. These relevance scores then serve as a principled pruning criterion: removing nodes identied as consistently uninformative yields a 27% reduction in graph edges while simultaneously improving classication accuracy by 2.46.1% across all model variants, challenging the conventional assumption that pruning necessarily trades accuracy for eciency. Experiments on a 50,000-record synthetic dataset spanning 11 report categories demonstrate 97.5% cross-strategy explanation stability and domain consistent sensor attribution, with training-time reductions of up to 43.9% and real-time inference latency of approximately 5860 ms per sample.
Authors: Jiyeon Kim, Byungju Lee, Won-Yong Shin
Abstract: Unlike most static material properties widely studied in the machine learning literature, ionic transport properties are inherently dynamic, making their fast and accurate prediction from static atomic structures challenging. The current standard approach, molecular dynamics (MD) simulations, suffers from prohibitively high computational cost. Recent autoregressive learning-based MD acceleration methods requiring sequential inference remain slow and prone to error accumulation; in contrast, existing non-autoregressive material property prediction models are less accurate because they fail to exploit dynamics. Moreover, existing methods typically benefit from datasets either with or without atomic trajectories, but not both. To overcome these limitations, we propose a non-autoregressive learning framework based on auxiliary modality learning, which treats atomic trajectories as an auxiliary modality during training but does not require them at inference. This enables the predictor to learn dynamics without sequential inference while benefiting from both types of datasets. As a result, our framework achieves over 200 times speedup compared to autoregressive models on the dataset with atomic trajectories while substantially reducing prediction error relative to non-autoregressive benchmarks across both types of datasets. Our code is available at https://github.com/jykim-git/MD.
Authors: Luoxi Tang, Rupali Rajendra Vaje, Yuqiao Meng, Sakshi Sunil Narkar, Weicheng Ma, Zeyu Ding, Dazheng Zhang, Zhaohan Xi
Abstract: Agentic memory enables LLMs to persist information beyond a single context window and reuse it in later decisions, but it also introduces a new vulnerability: spurious correlations, where retrieved memory carries miscorrelated evidence and propagates erroneous reasoning into downstream decisions. Despite the widespread use of agentic memory, this risk remains largely underexplored. We address it from two aspects. First, we benchmark several canonical types of spurious patterns identified through causal structure and record them across trajectory-level memory. Diagnosing agentic memory systems on this benchmark reveals that memory improves reasoning on clean inputs but amplifies reliance on spurious patterns when they are present. Second, we propose CAMEL, a plug-and-play calibration method that operates across diverse memory architectures at both write and retrieval time. CAMEL consistently reduces reliance on spurious patterns across all three types while preserving or improving performance on clean inputs and staying robust under adaptive attacks targeting the calibration. Overall, CAMEL offers a principled and lightweight solution toward more reliable agentic memory deployment.
Authors: Yanlin Long, Yufei Gu, Zeke Xie
Abstract: Modern Large Language Model (LLM) training is fundamentally bottlenecked by pathologically flat saddle points in extreme high-dimensional landscapes. Motivated by this challenge, we analyze the saddle-point escape dynamics of the emerging Muon optimizer, demonstrating its resilience against the $\mathcal{O}(D)$ dimensional curse that severely traps element-wise adaptive optimizers like AdamW. By extending generalized matrix perturbation theory, we develop a theoretical framework to capture Muon's non-equilibrium optimization trajectories. This theoretical machinery mathematically proves that Muon elegantly bypasses the dimensional curse via a non-linear spectral shaping mechanism. By leveraging resolvent functional calculus and macroscopic Cauchy contour integration, we avoid isotropic noise assumptions and Tracy-Widom edge singularities. We establish that structural incoherence securely shields the trajectory from orthogonal drift, enabling a dimension-free saddle-point escape, and triggering a deterministic $\mathcal{O}(1)$ discrete ballistic ejection under sufficient spectral gap. Consequently, we provide an algebraically dimension-free escape bound for Muon, formalizing the underlying mechanics of its non-convex optimization dynamics.
Authors: Shalley Dash
Abstract: Sparse goal-conditioned reinforcement learning can produce policies whose failures are hidden by aggregate success rates. We analyze trained goal-conditioned value policies through the deterministic functional graphs induced by greedy evaluation: for each goal, every state maps to a single successor, decomposing behavior into attractors and basins. This reveals a local-to-global structure in learned policies. We define local goal support (LGS), a one-step statistic measuring the fraction of valid neighboring states whose greedy successor is the goal. In deterministic sparse GridWorlds, zero LGS exactly precludes goal entry from non-goal starts. Empirically, weak LGS is a strong diagnostic of goal-level failure across update rules, curricula, larger grids, and bottleneck geometries: the fixed rule LGS <= 0.5 identifies low-success goals with precision 0.921, recall 0.929, and F1 0.925 in the main 8x8 TD setting, with similar performance across variants. However, local support is not sufficient for global success: some supported goals still fail because distant states are captured by competing attractors or fragmented basin structure. We therefore introduce a compact post-hoc taxonomy of policy-induced graphs -- goal-dominant, competitor-dominated, partial/contested, and fragmented -- to characterize residual failure modes beyond local support. These results show that sparse GCRL failures can be understood as structured policy-induced dynamics, and that local one-step policy structure provides a cheap post-training diagnostic for goal-level failure.
Authors: Anik Kumar Paul, Nibedita Roy, Nagesh Talagani, Swetha Ganesh, Gugan Thoppe, Alexandre Reiffers-Masson
Abstract: We propose FAR-SIGN (Fully Asynchronous Robust optimization via SIGNed directional projections) for adversary-resilient learning in parameter-server--worker systems. FAR-SIGN achieves robustness through sign-based updates along carefully designed directions and mitigates the resulting bias via a two-timescale mechanism. It admits both first-order and zeroth-order implementations and enables fully asynchronous execution without requiring a private reference dataset at the server. We establish almost-sure convergence of FAR-SIGN to the set of stationary points for smooth, nonconvex objectives. Moreover, we prove the near-optimal rate of $O(n^{-1/4+\epsilon})$ in the first-order setting and the standard $O(n^{-1/6+\epsilon})$ in the zeroth-order setting, where $n$ is the iteration count and $\epsilon>0$ can be chosen arbitrarily small. Experiments on MNIST show that FAR-SIGN outperforms robust aggregation-based methods in both accuracy and wall-clock time.
Authors: Guangqi Li, Yongxin Li
Abstract: We identify a Selection Plateau phenomenon in one-shot neural network pruning: all rank-monotone weight scorers converge to identical accuracy at fixed sparsity, independent of functional form. We propose the Sparsity-Information-Complexity Spectrum (SICS) hypothesis: a sparsity-dependent minimum feature complexity kappa(S) governs plateau escape, with kappa=0 sufficient at low sparsity (S<0.65), kappa=1 dominant at critical sparsity (S~0.7), and kappa=2 necessary at extreme sparsity (S>0.75). On ViT-Small/CIFAR-10, testing nine feature classes across four sparsities, smooth non-monotone features provide +6.6% escape at S=0.7, while only raw features with high-frequency wiggle escape at S=0.8 (+2.6%). A fake non-monotone scorer underperforms the gradient baseline, indicating the requirement is magnitude-independent non-monotonicity. A handcrafted Gaussian bump achieves only +0.006 escape vs. chaos-derived +0.046, indicating rank-alignment is necessary but insufficient. SICS provides a unifying explanation for the performance clustering of diverse pruning methods and suggests that future selection algorithms should adapt feature complexity to target sparsity.
Authors: Xing Han, Shravan Chaudhari, Tanvi Ranade, Rama Chellappa, Suchi Saria
Abstract: Real-world model deployment across multiple domains requires multimodal models to operate under two complementary regimes: (1) multi-task pretraining, tasks are co-available at design time where related tasks could borrow representational strength from one another, (2) continual adaptation, in which new tasks emerge after deployment with previously unseen modality combinations. However, neither regime alone suffices: the pretraining task set is never exhaustive, while bypassing joint training forfeits the transfer gains and efficiency among co-trainable tasks. Sparse Mixture-of-Experts (MoE) is a natural fit for this dual requirement: sparse activation enables modular capacity expansion as new tasks arrive, while routing decouples modality-level computation from task-level composition. In this work, we propose a scalable MoE framework for multitask pretraining and continual learning across flexible modality combinations. The framework is designed to support training on multimodal tasks with diverse modality configurations by leveraging modality-specific routers that process tokens from each modality across tasks. Furthermore, it enables continual learning over sequential multimodal tasks within a fixed-capacity MoE by compressing accumulated expert knowledge into low-rank memory subspaces, while expanding only the lightweight routers. We validate the effectiveness of our method on multiple healthcare multimodal benchmarks. It demonstrates competitive multitask pretraining performance while alleviating catastrophic forgetting and improving parameter efficiency.
Authors: Akihito Taya, Yuuki Nishiyama, Kaoru Sezaki
Abstract: Decentralized federated learning (FL) is a promising approach for training machine learning models on sensor networks, Internet of Things (IoT) devices, and other edge systems where no central server exists. While federated learning offers advantages such as preserving data privacy, it often suffers from non-independent and identically distributed (IID) data distributions across devices, which cause significant performance degradation. This issue is particularly severe when directly optimizing model parameters, because neural network training is inherently non-convex and standard convergence guarantees for convex optimization do not apply. Unlike existing decentralized FL methods that primarily operate in parameter space, we propose federated function-space alternating direction method of multipliers (FedF-ADMM). FedF-ADMM exploits the convexity of loss functionals within function space to derive alternating direction method of multipliers (ADMM)-based update directions, which are subsequently projected onto the parameter space via knowledge distillation. We further introduce a stabilization coefficient to enhance robustness under severe non-IID settings and analyze its behavior from a control-theoretic perspective by interpreting it as a proportional-integral (PI) term. Experiments under challenging non-IID scenarios, including settings where each device has data from only a single label, demonstrate that FedF-ADMM achieves faster and more stable convergence than existing decentralized FL methods, while attaining higher accuracy and better consensus among devices.
Authors: Yash Vishe, Rohan Surana, Xunyi Jiang, Zihan Huang, Xintong Li, Nikki Lijing Kuang, Tong Yu, Ryan A. Rossi, Jingbo Shang, Julian McAuley, Junda Wu
Abstract: Agentic large language models often rely on skills, reusable natural language procedures that guide planning, action, and tool use. In practice, skills are typically improved through prompt engineering or by aligning the task LLM itself, which is costly, model-specific, and often infeasible for closed-source models. Skill optimization is not a one-step problem but a recurrent process with two coupled levels of credit assignment: a useful skill must improve rollout quality under current conditioning, while a useful revision must turn observed outcomes into a better skill for the next round. We propose Skill-R1, a reinforcement learning framework for instance-level recurrent skill optimization from verifiable rewards. Rather than updating the task LLM, Skill-R1 trains a lightweight skill generator that conditions on the task context, prior rollouts, and their verified outcomes to produce skills that steer a frozen task LLM. This preserves black-box compatibility with both open- and closed-source models while making adaptation substantially cheaper than model-level updates. Skill-R1 proceeds over multiple generations: at each step, the current skill induces rollouts whose verified outcomes are fed back to produce the next revision. To optimize this recurrent process, we introduce a bi-level group-relative policy optimization objective combining intra-generation and inter-generation advantages. The intra-generation term compares rollouts under shared skill conditioning, while the inter-generation term rewards revisions that improve behavior across successive generations. Together, these provide a principled objective for directional skill evolution rather than one-shot self-refinement. Empirically, Skill-R1 achieves consistent gains over no-skill baselines and standard GRPO across benchmarks with verifiable rewards, with particularly strong improvements on complex, multi-step tasks.
Authors: Zhenghan Song, Yulong Liu, Cheng Wan, Chenjun Li, Lingfu Liu, Yunyi Li, Congcong Yuan
Abstract: Execution-based evaluation of LLM-generated code implicitly treats successful execution as a proxy for correctness. In scientific simulation, this proxy is insufficient: a generated input file can run, mesh, and converge while encoding governing equations that differ from the user's intent. We call this mismatch between intended physics and generated code the comprehension-generation gap. We instantiate this in MOOSE, where Kernel and BC objects map compositionally to weak-form residual terms, enabling deterministic reconstruction of the encoded PDE and comparison against an intended contract. We formalize this comparison as the Intent Fidelity Score (IFS), a structural metric covering governing terms, BCs, ICs, coefficients, and time scheme. Building on IFS, we develop a PDE-grounded refinement loop that uses deterministic violation reports to correct generated code iteratively. We evaluate on MooseBench, a 220-case multiphysics benchmark with PDE-level ground truth released with this work. On this benchmark, our method consistently improves mean IFS over direct generation, with gains concentrated on hard cases. On the subset where direct generation falls below IFS 0.7, refinement adds +0.22 to +0.41 absolute IFS. In the deployment audit, execution-only repair improves execution success while leaving 39-40% of all 220 cases runnable but still solving the wrong physics across the three main deployment-audit models, exposing executability and intent fidelity as separable failure modes. Static proof-of-concept experiments on four PDE-oriented DSLs (UFL/FEniCS, FreeFEM, FiPy, and Devito) suggest that the reconstruction-and-comparison pattern extends beyond MOOSE. These findings reinforce that executable simulation code should be verified against the mathematical structure it is intended to encode, not accepted on execution alone.
Authors: Soumita Hait, Ping Li, Haipeng Luo, Mengxiao Zhang
Abstract: Last-iterate convergence of learning dynamics in games has attracted significant recent attention. In two-player zero-sum games with bandit feedback, where only the loss of the selected action pair is observed, Fiegel et al. (2025) show a separation between average-iterate and last-iterate convergence in duality gap: while the optimal t^(-1/2) rate after t rounds is achievable for the former via standard no-regret algorithms, the latter cannot converge faster than t^(-1/3) in expectation or t^(-1/4) with high probability. However, in many practical settings, such as preference learning, the players observe not only their loss but also the opponent's action. This raises a natural question: can such additional information enable faster last-iterate convergence? We answer this question affirmatively, showing that t^(-1/2) last-iterate convergence is achievable with high probability in this setting, via an efficient algorithm that updates its strategy infrequently by solving an estimated log-barrier-regularized game. We identify fundamental obstacles preventing standard analysis for multi-armed bandits, the single-player case, from generalizing to games, and develop a novel analysis to overcome them. Experiments confirm that our algorithm indeed converges faster than naive baselines and prior methods that do not exploit opponent-action feedback. Finally, we note that our results also improve those for dueling bandits, a special case with skew-symmetric game matrices.
Authors: Valliappan Chidambaram Adaikkappan, David Meger, Sai Rajeswar, Pietro Mazzaglia
Abstract: This paper investigates robust representation learning in offline goal-conditioned reinforcement learning (GCRL). Particularly in sparse reward scenarios, learning representations that align state and goal latents is a challenge that frequently culminates in representation divergence where the encoder drifts toward a low-dimensional, goal-agnostic subspace that destabilizes policy learning. We address this issue by showing that an agent must acquire a fundamental understanding of its environment across multiple scales, from local physical dynamics to long-horizon goal-directed structure. Building on this insight, we propose Ms.PR, a framework that leverages multi-scale predictive supervision to enforce goal-directed alignment within the latent space. We demonstrate that Ms.PR leads to improved representation quality and strong performance on both vision and state-based tasks. Furthermore, we show that our approach is exceptionally resilient under realistic, challenging data regimes, maintaining state-of-the-art performance across a wide variety of tasks, trajectory stitching scenarios, and extreme noise conditions.
Authors: Ilay Yavlovich, Jad Agbaria, Muhamed Mhamed, Jose Yallouz, Nir Weinberger
Abstract: The Linear Assignment Problem (LAP) is a fundamental combinatorial optimization task with applications ranging from computer vision to logistics. Classical exact solvers such as the Hungarian and Jonker-Volgenant (LAPJV) algorithms guarantee optimality, but their cubic time complexity $\mathcal{O}(N^{3})$ becomes a bottleneck for large-scale instances. Recent learning-based approaches aim to replace these solvers with neural models, often sacrificing exactness or failing to scale due to memory constraints. We propose a learning-augmented framework that accelerates exact assignment solvers while maintaining optimality and worst-case guarantees. Our method predicts dual variables to warm-start a classical solver, with a fallback that prevents asymptotic runtime degradation when the learned advice is unreliable. We introduce RowDualNet, a lightweight row-independent architecture that avoids the $\mathcal{O}(N^{2})$ memory bottleneck of graph-based models, enabling neural warm-starting at large scale ($N=16{,}384$). Feasibility is ensured via a constructive mechanism based on LP duality (namely, the Min-Trick), eliminating costly iterative projection. Empirically, our approach reduces the search effort of LAPJV and achieves over $2{\times}$ speedups on challenging synthetic distributions, in addition to improving over $1.25{\times}$ and $1.5{\times}$ on real-world tracking (MOT) and transportation (LPT) datasets, respectively, while strictly maintaining full optimality, effectively yielding a robust zero-shot generalization to real-world tasks.
Authors: Bin Liu, Haoyu Peng, Zhijia Wei, Jiajing Zhang, Grigorios Tsoumakas
Abstract: Batch selection is crucial for improving both training efficiency and predictive performance in deep multi-label classification (MLC). Existing batch selection methods typically rely on a single metric to assess instance importance and use static label weights to distinguish label significance, neglecting the dynamic evolution of metric utility and label significance during training. In addition, the method that explicitly exploits label correlations is largely affected by abundant irrelevant labels and insensitive to local label distributions. To address these issues, we propose D2ACE, a novel multi-label batch selection method guided by Dual Dynamics and Adaptive Correlation Enhancement. D2ACE explicitly captures metric and label-level training dynamics by combining stage-wise Bernoulli mixture sampling, which balances uncertainty and noise-resistant hardness, with dynamic label weighting to recalibrate label priorities at each epoch based on current metric statistics. Furthermore, D2ACE introduces a local context-aware correlation enhancement to focus on relevant labels with instance-adaptive dependencies. Extensive experiments on tabular and image benchmarks demonstrate that D2ACE outperforms existing batch selection approaches across various deep MLC models, achieving stronger predictive performance and more efficient correlation modeling.
Authors: Gabriel Smithline, Chris Mascioli
Abstract: Architectural choices inside the Transformer feedforward network (FFN) block do not merely affect the block itself; they reshape the computations learned by the rest of the model. We study this effect in one-layer Transformers trained on digit addition with carry, modular arithmetic, and histogram counting. Comparing dense FFNs, gated linear units (GLUs), mixture-of-experts (MoE), and MoE-GLUs, we find that sparse MoE routing can shift computation from FFN to attention, with the strongest ablation-visible effect on carry-based addition. We decompose this redistribution into reduced per-token FFN capacity and sparse partitioning across experts. Critically, frozen random routing nearly matches learned routing, suggesting that redistribution is driven largely by architectural sparsity rather than router-learned specialization. As a secondary finding, GLU-style multiplicative gating rotates task-relevant Fourier structure out of the per-neuron basis and into distributed subspaces, making neuron-level interpretability less informative while preserving structured computation. We validate these conclusions with random-routing, narrow-FFN, and top-2 MoE controls, plus parameter-matching, activation-function, and width-scaling analyses. Together, these results show that local FFN design choices can have nonlocal consequences for Transformer computation.
Authors: Huitao Yang, Hengzhi He, Guang Cheng
Abstract: Targeted data selection aims to identify training samples from a large candidate pool that improve performance on a specific downstream task. Many recent methods estimate candidate utility by aggregating local attribution scores along a trajectory induced by the candidate pool. When the pool is heterogeneous, however, this reference trajectory may be misaligned with the dynamics of a target-aligned selected subset, creating what we call reference path bias. We propose an alternative reference path: a validation-induced flow obtained from a short, capacity-limited warmup on the available target validation proxy. Along this path, candidates are scored by a normalized endpoint loss drop, yielding a simple zero-order selection rule that requires no candidate gradients or Hessian approximations. Across controlled logistic, vision, and instruction-tuning experiments, this score is competitive with strong dynamic attribution baselines while substantially reducing warmup and storage cost. Moreover, since the reference trajectory is decoupled from any specific candidate pool, the same compact warmup can be reused across additional pools without recomputing the trajectory.
Authors: Riccardo Porcedda, Francesca Chiaromonte, Fabrizio Lillo, Andrea Vandin
Abstract: Link prediction (inferring missing or future connections between nodes in a graph) is a fundamental problem in network science with widespread applications in, e.g., biological systems, recommender systems, finance and cybersecurity. The ability to accurately predict links has significant real-world applications, such as detecting fraudulent financial transactions or identifying drug-target interactions in biomedicine. Despite a rich literature, link prediction is still challenging, especially for graphs enriched with information on edges (direction) and nodes (attributes). In fact, research on link prediction, especially the one based on Graph Deep Learning (GDL), has mostly focused on undirected graphs, without fully leveraging node attributes. Here, we fill this gap by proposing Gravity-GraphSAGE (GG-SAGE), a modified version of GraphSAGE, a GDL model for node embeddings, composed of a gravity-inspired decoder. This implementation is the first example in the literature of a GraphSAGE backbone adopted for directed link prediction. Using the benchmark datasets Cora, Citeseer, PubMed and 16 real-world graphs from the online Netzschleuder repository, we show that our proposed model outperforms state-of-the-art GDL link prediction techniques. Using further experimental evidence, we relate the quality of the output of our model with various characteristics of the graph, suggesting that our framework scales well when applied to data of increasing complexity.
Authors: Yunxuan Fang, Xinhe Wang
Abstract: Hardware-aware training (HAT) is widely used to improve the robustness of neural networks on non-ideal AI accelerators, such as analog in-memory computing (IMC) systems. However, not all hardware-induced distortions are equally compensable by training. This paper presents a diagnostic framework that models hardware non-idealities as structured perturbations of the forward operator and evaluates their compatibility with gradient-based optimization. We analyze six representative perturbation classes--read noise, variability, drift, stuck-at faults, IR-drop, and ADC discretization--and identify three key diagnostics: gradient expectation consistency, bounded gradient variance, and non-degenerate sensitivity. Our results show a clear separation between perturbations that can be compensated by HAT and those that consistently break optimization. This provides practical guidance for hardware-software co-design, clarifying which non-idealities can be addressed at the training level and which require circuit-, architecture-, or calibration-level mitigation. This study should be interpreted as a controlled empirical analysis under vanilla forward-perturbation HAT, rather than as a universal theory of hardware-aware training.
Authors: Xiangjian Jiang, Mingxuan Liu, Nikola Simidjievski, Tassilo Klein, Mateja Jamnik
Abstract: Generative modelling is a demanding test of foundation models, because it requires robust, holistic representation learning for a given data modality, rather than optimisation for a supervised prediction target alone. While recent work on tabular foundation models has achieved remarkable progress in predictive modelling, generative tabular foundation models remain underexplored. Existing tabular foundation generators, in particular, have not yet consistently matched strong dataset-specific generators in synthetic data quality. A key reason is their misalignment with the distinctive causal structural prior of heterogeneous tabular data. In this paper, we address this gap by introducing a novel tabular foundation model, \textbf{TabFORGE}, built on pretrained \textbf{Tab}ular \textbf{FO}undational \textbf{R}epresentations for \textbf{GE}neration. TabFORGE is designed to utilise the implicitly learned causal information underlying diverse tabular datasets in a unified latent space induced by a pretrained causality-aware feature encoder. It further decouples latent modelling from decoding through a two-stage design: we first pretrain a score-based diffusion transformer, and then pretrain a denoising-aligned decoder using the denoised latent embeddings. This design elegantly mitigates the distribution shifts in latent embeddings that typically arise between training and inference. We evaluate TabFORGE comprehensively against 22 benchmark methods on 45 real-world datasets. Our results show that TabFORGE effectively learns and leverages generalisable tabular representations, enabling efficient generation of high-quality synthetic tabular data, particularly with strong structural fidelity.
Authors: Yunfeng Zhao, Yixin Liu, Qingfeng Chen, Shiyuan Li, Yue Tan, Shirui Pan
Abstract: Graph-level anomaly detection (GLAD) is crucial for ensuring the reliability of graph-driven applications by identifying abnormal graphs that deviate from the majority. Considering the privacy concerns in distributed scenarios, federated graph-level anomaly detection (FedGLAD) has emerged as a promising solution to enable collaborative detection without sharing raw data. However, existing methods suffer from poor generalization due to the reliance on unrealistic synthetic anomalies and insufficient personalization capabilities under data heterogeneity. To address these challenges, we propose a novel Federated graph-level anomaly detection approach with Cluster-adaptIve GAted Reconstruction (FedCIGAR). Specifically, we design a reconstruction-based paradigm trained on normal graphs to avoid synthetic data. Furthermore, we introduce a client-side node contribution gating mechanism and a server-side sliding window-based clustering strategy to tackle data heterogeneity. Extensive experiments demonstrate that FedCIGAR achieves superior performance and robustness in contrast to state-of-the-art methods.
Authors: Andreas D. Demou, Panagiotis Koromilas, James Oldfield, Yannis Panagakis, Mihalis A. Nicolaou
Abstract: Many features in pretrained Transformers span multiple layers: they emerge through stages of inference, persist in the residual stream, or are built jointly by parallel MLPs. Crosscoders (namely, sparse dictionaries trained jointly across layers) aim to recover these cross-layer features in a single shared latent space. We show that standard crosscoders largely fail at this purpose. Although their decoder weight norms spread evenly across layers, a functional coherence metric we introduce reveals that each latent's activation is effectively driven by only one or two layers on average. While functionally coherent latents act as human-interpretable concept detectors (e.g., US states and cities), the layer-localized latents that crosscoders predominantly learn collapse onto surface-level patterns such as digit detectors. We trace this failure to two structural limitations: unconstrained cross-layer parameterization and unregularized cross-layer dependence. We address both by introducing fmxcoders, which (i) replace the encoder and decoder with low-rank tensor factorizations that draw every latent's per-layer weights from a shared cross-layer basis, and (ii) apply stochastic layer masking, a denoising regularizer along the layer axis that penalizes latents whose contribution collapses when a single layer is masked. Across GPT2-Small, Pythia-410M, Pythia-1.4B, and Gemma2-2B, fmxcoders lift mean probing F1 by 10-30 points, surpassing per-layer SAE baselines that standard crosscoders fail to reach, reduce reconstruction MSE by 25-50%, and roughly double mean functional coherence. An LLM-as-a-judge evaluation further shows that fmxcoders recover 3-13$\times$ more semantically coherent latents than standard crosscoders across all four base LLMs.
Authors: Ori Meidler, Shaul Tolkovsky, Or Zuk
Abstract: Generative models are powerful tools for sampling from a learned distribution $\mathcal{P}(Y \mid X)$, and inverse-design methods invert this map to find an input $x$ that produces a desired point output $y^*$. However, many design goals are naturally distributional rather than pointwise, incorporating the inherent uncertainty of $Y$ and targeting a specific form for it, a task not addressed by standard inverse design. To address this issue we introduce Conditional Distribution Matching (CDM), a new inverse-design problem class in generative modeling: given a joint distribution $\mathcal{P}(X, Y)$ and a target distribution $\mathcal{G}(Y)$, find an input $x^*$ whose induced conditional distribution $\mathcal{P}(Y \mid X = x^*)$ matches $\mathcal{G}$. We formally define two variants: Conditional Distribution Matching Sampling (CDMS) and Conditional Distribution Matching Optimization (CDMO). To solve these problems, we propose MLGD-F (Matching-Loss Guided Diffusion with a Fast inner sampler), a plug-and-play inference-time algorithm that combines a pretrained score-based diffusion model with a pretrained fast conditional sampler, requiring no additional training or fine-tuning. By leveraging single-step conditional sampling, MLGD-F enables tractable gradient computation, making the estimation of $\mathcal{P}(Y \mid X)$ both memory-efficient and computationally lightweight. We validate MLGD-F on synthetic benchmarks, structured image transformations, and generative editing optimization, demonstrating reliable recovery of inputs whose conditional distributions match diverse user-specified targets, including discrete mixtures and continuous low-rank supports.
Authors: Zihao Hu, Yuxiao Wen, Yuan Yao, Jiheng Zhang, Zhengyuan Zhou
Abstract: The transition to First-Price Auctions (FPA) in digital advertising has spurred significant research, yet existing work typically assumes access to a valuation oracle, ignoring the reality that values must be inferred from censored data. While Linear Treatment Effect (LTE) models address this by learning value uplift, they have not been adapted to realistic settings with hard Budget constraints or Return-on-Spend (RoS) targets requiring regret and violation control. In this work, we propose a unified primal-dual framework for constrained FPAs that jointly learns the latent LTE valuation parameters and the competitor's bid distribution. This simultaneous learning introduces a critical technical challenge: the estimation error is dynamically scaled by the Lagrangian multiplier, potentially leading to unbounded regret. We resolve this by leveraging a strong Slater condition and a novel adaptive burn-in procedure to stabilize the dual variables. Our approach achieves near-optimal regret guarantees, providing the first theoretically grounded solution for constrained bidding with latent valuations.
Authors: Riccardo Porcedda, Giuseppe Squillace, Bastian Epping, Andrea Vandin, Michael Schaub, Mirco Tribastone, Francesca Chiaromonte
Abstract: While Graph Neural Networks (GNNs) have demonstrated significant efficacy in node classification tasks, where predictions rely on local neighborhood information, the performance of GNNs often drops when prediction tasks depend on long-range interactions. These limitations are attributed to phenomena such as oversquashing, where structural bottlenecks restrict signal propagation across the network topology. To address this challenge, we introduce RAwR, a computationally efficient rewiring framework that augments the input graph with a quotient graph derived from equitable partitions. This approach facilitates accelerated communication between nodes that share identical structural roles, as identified by the Weisfeiler-Leman graph coloring, and thereby reduces the total effective resistance of the system. Furthermore, by employing an approximate definition of the equitable partition, RAwR enables a controllable reduction of the quotient graph, which, in its most condensed state, recovers the conventional Master Node rewiring technique. Empirical evaluations across a diverse suite of benchmarks -- including homophilic, heterophilic, and synthetic long-range datasets -- demonstrate that RAwR achieves state-of-the-art results. Our contribution is further supported by an analytical investigation using a teacher-student model of linear GNNs, which elucidates the theoretical foundations of role-based rewiring. This analysis leads to the formulation of Spectral Role Lift (SRL), a metric designed to identify the optimal approximate equitable partition for maximizing predictive performance.
Authors: Daniel Wolfson, Tal Wagner
Abstract: Positional encoding in transformers is commonly implemented through positional embeddings, attention masks, or bias terms, but formal connections between these mechanisms remain limited. We study attention with positional bias through the lens of locality-sensitive hashing (LSH), focusing on Attention with Linear Biases (ALiBi). We show that the ALiBi bias matrix is the expectation of contiguous block-diagonal binary masks induced by a ``positional LSH'' scheme. The empirical mean of masks sampled from this scheme yields spectral norm and max-norm approximation guarantees with bounded block sizes with high probability. This structural theorem implies a uniform approximation theorem for ALiBi-biased attention: with high probability over the sampled masks, the approximate attention output is accurate simultaneously for all query-key-value inputs and can be computed in near-linear time in the context length, reducing long-context ALiBi to a collection of randomized short-context regular (positionally unbiased) attention operations. Conceptually, this connects positional bias, masks, and positional embeddings in a single formal framework and suggests an approach to efficient ALiBi-biased attention. Experiments on large language models validate our theoretical findings.
Authors: Mario Edoardo Pandolfo, Enrico Grimaldi, Lorenzo Marinucci, Leonardo Di Nino, Simone Fiorellino, Sergio Barbarossa, Paolo Di Lorenzo
Abstract: Latent representations learned by neural networks often exhibit semantic structure, where concept similarity is reflected by geometric proximity in embedding space. However, comparing such spaces across models remains difficult: changes in architecture, pretraining data, objective, or random seed can yield embeddings with similar content but incompatible geometry. This latent space alignment problem is central to interpretability, transfer and multimodal learning, federated systems, and semantic communication; however, progress remains limited by the lack of large-scale, model-diverse, and metadata-rich benchmarks. To address this gap, we introduce SEMASIA, a large-scale collection of latent representations extracted from approximately 1,700 pretrained vision models across eight standard image-classification benchmarks. SEMASIA pairs embeddings with structured metadata describing architectures, training regimes, pretraining sources, and model scale. We demonstrate three applications of the resource. First, we analyze the conceptual organization of individual latent spaces, showing consistent prototype-like clustering and hierarchical semantic neighborhoods across models and datasets. Second, we benchmark supervised alignment mappings between latent spaces using reconstruction error and downstream task performance. Third, we perform a large-scale regression analysis of how pretraining-data complexity, specialization, transfer learning, augmentation, and model scale relate to geometric and probing properties of embeddings. By coupling representational scale with standardized metadata, SEMASIA provides a reproducible foundation for studying latent geometry, evaluating alignment methods, and developing next-generation heterogeneous and interoperable AI systems.
Authors: Zhan Li, Wuqing Yu, Yusen Wu, Chuan Wang
Abstract: Graph Neural Networks (GNN) and Transformer-based architectures have achieved remarkable progress in graph learning, yet they still struggle to capture both global structural dependencies and model the dynamic information propagation. In this paper, we propose CTQWformer, a hybrid graph learning framework that integrates continuous-time quantum walks (CTQW) with GNN. CTQWformer employs a trainable Hamiltonian that fuses graph topology and node features, enabling physically grounded modeling of quantum walk dynamics that captures rich and intricate graph structure information. The extracted CTQW-based representations are incorporated into two complementary modules:(i) a Graph Transformer module that embeds final-time propagation probabilities as structural biases in the self-attention mechanism, and (ii) a Graph Recurrent Module that captures temporal evolution patterns with bidirectional recurrent networks. Extensive experiments on benchmark graph classification datasets demonstrate that CTQWformer outperforms graph kernel and GNN-based methods, demonstrating the potential of integrating quantum dynamics into trainable deep learning frameworks for graph representation learning. To the best of our knowledge, CTQWformer is the first hybrid CTQW-based Transformer, integrating CTQW-derived structural bias with temporal evolution modeling to advance graph learning.
Authors: Teng Cao, Yu Deng, Hikaru Shindo, Quentin Delfosse, Lanxi Wen, Suli Wang, Jannis Bl\"uml, Christopher Tauchmann, Kristian Kersting
Abstract: Modern embodied agents achieve impressive performance, but their task knowledge is often stored in neural weights, latent state, or prompt-bound memory, making individual policy knowledge difficult to inspect, validate, recombine, and reuse. We introduce \textbf{Kintsugi}, a white-box policy-learning framework that treats embodied policy improvement as verifier-gated construction of a typed executable Knowledge Base (KB). Kintsugi represents task-level policy knowledge as composable typed entries -- predicates, operators, policy schemas, monitors, recovery rules, experience records, and goals -- and improves this artifact through localized typed edits induced from rollout evidence, rather than relying on test-time language-model reasoning. Between rollouts, a tool-constrained agentic editing loop diagnoses trajectory failures, localizes them to editable KB layers, and proposes candidate edits. A deterministic verification gate admits an edit only when the candidate type-checks, the resulting KB executes, and focused validation success or trajectory-health metrics improve without violating protected-regression checks. At inference, the accepted KB is executed by a deterministic symbolic executor with zero LLM calls. Across long-horizon text-agent benchmarks and representative object-centric manipulation settings, Kintsugi achieves strong endpoint performance while preserving inspectability, local editability, and verifier-gated deployment. These results suggest that embodied policy improvement can be organized around executable task knowledge.
Authors: Xianhe Chen, Hao Chen, Yingzhen Li
Abstract: Time series, spatial data, and images are natural applications of Neural Processes. However, when such data exhibit strong periodicity and quasi-periodicity, existing methods often suffer from underfitting and generalise poorly beyond the training distribution. In this work, we propose Spectral Transformer Neural Processes (STNPs), a frequency-aware extension of Transformer Neural Processes (TNPs). STNPs introduce a Spectral Aggregator that estimates an empirical context spectrum, compresses it into a spectral mixture, samples task-adaptive spectral features, and concatenates them with time-domain embeddings, thereby injecting a spectral-mixture-kernel bias into TNPs. This design reshapes the similarity geometry, allowing inputs that are distant in Euclidean space to remain close in an induced periodic manifold while enhancing time-frequency interactions. Extensive experiments on synthetic regression tasks, real-world time-series datasets, and an image dataset demonstrate that STNPs consistently improve predictive performance over existing baselines, extending Neural Processes beyond translation equivariance towards effective modelling of periodicity and quasi-periodicity.
Authors: Bariscan Bozkurt, Alexandre Galashov, Dimitri Meunier, Zikai Shen, Arthur Gretton, Houssam Zenati
Abstract: Unobserved confounding prevents standard covariate adjustment from identifying causal response functions in observational studies. Proxy causal learning addresses this problem through bridge equations involving treatment- and outcome-inducing proxies, avoiding direct recovery of the latent confounder. Existing doubly robust proxy estimators combine outcome and treatment bridges, but typically rely on fixed kernels, sieves, or low-dimensional semiparametric models; existing neural proxy methods are more flexible, but are largely single-bridge estimators. We develop a neural doubly robust framework for proxy causal learning with continuous and structured treatments. Our method introduces a neural mean-embedding estimator for the treatment bridge, combines it with a neural outcome bridge, and estimates the doubly robust correction through a final regression stage. The framework covers population, heterogeneous, and conditional dose-response functions, yielding full response-curve estimators rather than binary-treatment effects. The algorithms use two stages for each bridge and history-aware updates of the final linear layers to stabilize stochastic multi-stage training. We prove consistency of the algorithms showing that the doubly robust error is controlled by the final averaging and regression errors together with the smaller of the outcome- and treatment-side weak-norm bridge errors. Across synthetic and image-valued benchmarks, the proposed estimators outperform existing baselines and single-bridge neural estimators, showing the benefit of combining learned outcome and treatment bridges in a doubly robust construction. Our implementation is available at https://github.com/BariscanBozkurt/DRPCL-Neural-Mean-Embedding.
URLs: https://github.com/BariscanBozkurt/DRPCL-Neural-Mean-Embedding.
Authors: Ivan Ternovtsii, Yurii Bilak
Abstract: Standard Mixture-of-Experts (MoE) transformers route tokens to expert subnetworks within each layer, but the layer structure itself remains monolithic. We introduce Mixture of Layers (MoL), which replaces full-width transformer blocks (d_model) with K parallel thin blocks at reduced dimensionality (d_thin << d_model), connected via learned down/up projections and composed via top-k block routing. Scaling sparse block routing to many blocks creates an attention coverage problem, as each block sees fewer tokens. We address this by introducing hybrid attention, which pairs one shared softmax block for global context with Gated DeltaNet linear attention in routed blocks.
Authors: Darren Zhu, Daren Ler
Abstract: Meta-learning for algorithm selection relies on a meta-dataset in which each row corresponds to a supervised learning dataset described by meta-features and labelled with a target value that is associated with algorithm choice (typically, some function of algorithm performance). A persistent limitation is that the number of curated real-world datasets is small, resulting in sparse meta-datasets that constrain meta-learner generalisation. In this paper, we address this problem by augmenting the meta-dataset with synthetic regression datasets produced via a large language model (LLM), with generation steered toward target regions of a low-dimensionality performance space. In our experiments, we adopt a two-dimensional geometric setting defined by the cross-validated $R^2$ scores of two anchor algorithms, known as landmarkers. We compare two augmentation strategies: (1) uniform sampling, which distributes synthetic datasets across the performance space; and (2) margin-based sampling, which concentrates them near the decision boundary where landmarker preference is most ambiguous. Across 42 real-world UCI regression datasets and 730 synthetic datasets, both strategies substantially improve meta-learner performance over the unaugmented baseline under regression and multi-label evaluation formulations. However, uniform augmentation consistently outperforms margin-based augmentation, achieving a 17.47% relative reduction in Hamming loss, a 100.41% relative improvement in subset accuracy, and a +6.09% relative gain in pooled out-of-fold $R^2$. These results lead us to postulate a central thesis: the performance of algorithms resides on a low-dimensional performance manifold, whose reconstruction bias may be minimised by user-guided LLMs that seek to maximise uniform $\epsilon$-cover, and consequently, lead to improved meta-learning for algorithm selection.
Authors: Lennon J. Shikhman
Abstract: Neural operators provide fast surrogate models for time-dependent partial differential equations, but their standard autoregressive use usually assumes that the instantaneous field $u(t,\cdot)$ is a complete state. This assumption fails for delay equations, distributed-memory systems, and other non-Markovian dynamics: two trajectories may agree at time $t$ and nevertheless have different futures because their histories differ. We introduce the History-Space Fourier Neural Operator (HS-FNO), a neural operator for delay and memory-driven PDEs formulated on the lifted state $u_t(\theta,x)=u(t+\theta,x)$, $\theta\in[-\tau,0]$. The key computational step is to decompose one history-state update into a learned predictor for the newly exposed future slice and an exact shift-append transport for the portion of the history window already known from the previous state. This avoids learning deterministic history coordinates, reduces the learned output dimension, and enforces the natural discrete history update. We test HS-FNO on five benchmark families covering delayed reaction--diffusion, spatial epidemiology, nonlocal neural-field dynamics, delayed waves, and distributed-memory closures. Across ten random seeds, HS-FNO attains the lowest aggregate one-step, history-space, and rollout errors among the principal baselines. The largest gain occurs in autoregressive prediction, where aggregate rollout error decreases from $0.241$, $0.188$, and $0.185$ for current-state, lag-stack, and unconstrained history-to-history operators, respectively, to $0.094$. The same model uses fewer parameters than unconstrained history prediction. These results indicate that enforcing the discrete shift structure of history-state evolution is an effective inductive bias for non-Markovian PDE surrogate modeling.
Authors: Yunxuan Fang, Ziwei Zhang, Xinhe Wang
Abstract: Adaptive prompting mechanisms have been proposed to enhance vision-language models by dynamically tailoring prompts to inputs. However, in frozen few-shot prompt learning with CLIP-style backbones, we systematically observe that adaptive gates and prompt-selection modules often collapse: they produce nearly constant outputs, contribute negligible gradient signals, and frequently fail to outperform fixed prompts. To further explore this issue, we present a systematic diagnostic study to uncover the underlying causes and conditions of adaptation failure. Through controlled experiments across datasets and multiple prompt learning architectures, we identify two recurring failure modes: gradient magnitude imbalance and gate degradation. Our findings invite a re-examination of indiscriminately adding architectural complexity in parameter-efficient learning and clarify when prompt-level adaptive gating is, and is not, effective in this regime.
Authors: Lee Cohen, Yishay Mansour, Shay Moran, Han Shao
Abstract: We consider the problem of learning an unknown subset $N_\text{target}$ of a domain in an online setting. In each round $t$, the learner predicts a set of items ${N}_t$ and receives one of two types of feedback, each with equal probability: precision feedback, in which a randomly chosen item from the predicted set $N_t$ is revealed and the learner is told whether it belongs to $N_\text{target}$ (incurring a reward if it does), or recall feedback, in which a randomly chosen item from the target set $N_\text{target}$ is revealed and the learner is told whether it belongs to $N_t$ (incurring a reward if it does). The goal is to maximize the cumulative reward over time. This simple online set learning problem abstracts a variety of learning scenarios with precision- and recall-type feedback. We show that a hypothesis class (a family of subsets of the domain) is learnable in this setting if and only if it has finite Vapnik-Chervonenkis (VC) dimension, mirroring the classical PAC characterization. However, the resulting algorithmic structure is markedly more intricate: in contrast to standard Probably Approximately Correct (PAC) learning -- where the algorithmic landscape is governed by the simple principle of Empirical Risk Minimization (ERM) -- our partial feedback model can invalidate ERM and even all proper learning rules. We develop algorithms to address the dependencies induced by the feedback, obtaining regret guarantees in both the realizable and agnostic settings. Our results provide a qualitative characterization of learnability in this model, addressing its most basic question, while pointing to a range of natural and intriguing open questions, including the determination of optimal regret rates.
Authors: Wiktor Matykiewicz, Piotr Wzorek, Kamil Jeziorek, Tom\'as Mu\~noz, Antonio Rios-Navarro, Angel Jim\'enez-Fern\'andez, Tomasz Kryjak
Abstract: With the rapid growth of mobile robotics and embedded intelligence, there is an increasing demand for efficient on-device data processing on edge platforms. A promising research direction is the use of neuromorphic sensors inspired by human sensory systems, which generate sparse, event-based data encoding changes in the environment. In this work, we present the first end-to-end FPGA implementation of a keyword spotting system that integrates a Neuromorphic Auditory Sensor (NAS) and a graph neural network (GNN) on a single FPGA device, enabling real-time processing of raw audio data. The proposed architecture eliminates conventional signal preprocessing and operates directly on event-based audio streams. Leveraging a compute-near-memory network architecture, the system achieves efficient inference with low latency and low power consumption. Experimental results demonstrate an accuracy of 87.43% after quantization on the Google Speech Commands v2 dataset processed through the neuromorphic sensor, with end-to-end latency below 35 us and average power consumption of 1.12 W. The processed datasets, software models, and hardware modules are available at https://github.com/vision-agh/NAS-GNN-KWS.
Authors: Zhangdaihong Liu, Chang Liu, Fenglin Liu, Yixuan Chen, Yang Yang, David A. Clifton, Xiao Gu
Abstract: Cardiovascular disease remains the leading cause of global mortality, yet scalable cardiac monitoring is hindered by the gap between diagnostic-rich ECG and ubiquitous wearable PPG. Bridging this gap requires representations that are compact, transferable across modalities and devices, and deployable without task-specific retraining. Here we introduce biosignal fingerprints: compact latent representations of cardiovascular state derived from a cross-modal foundation model, the Multi-modal Masked Autoencoder (M2AE), trained on over 3.4 million paired ECG and PPG signals. M2AE integrates modality-specific encoders with a shared bottleneck and dual decoders, jointly optimized using reconstruction and cross-modal contrastive objectives, yielding generalizable fingerprints that retain intra- and inter-modality features. Like a biometric fingerprint, these representations uniquely encode an individual's cardiovascular state in a modality-agnostic, privacy-preserving form reusable across clinical tasks without exposing raw waveform data or requiring model retraining. Across 7 downstream tasks, spanning cross-modal reconstruction, cardiovascular disease classification, hypertension detection, mortality prediction, and demographic inference, biosignal fingerprints achieve competitive or superior performance compared to leading domain-specialist foundation models in frozen settings, including an AUROC of 0.974 for five-class CVD classification and 0.877 for hypertension detection, with a maximum improvement of 27.7% in AUROC across 5 classification tasks. Critically, strong performance is maintained with only a single modality, enabling deployment in resource-constrained, single-sensor environments typical of real-world wearable monitoring, with direct implications for continuous cardiovascular monitoring across clinical and consumer health settings.
Authors: Yuanyi Wang, Yifan Yang, Su Lu, Yanggan Gu, Pengkai Wang, Wenjun Wang, Zhaoyi Yan, Congkai Xie, Jianmin Wu, Jialun Cao, Shing-Chi Cheung, Hongxia Yang
Abstract: Continual post-training aims to extend large language models (LLMs) with new knowledge, skills, and behaviors, yet it remains unclear when sequential updates enable capability transfer and when they cause catastrophic forgetting. Existing methods mitigate forgetting through sequential fine-tuning, replay, regularization, or model merging, but offer limited criteria for determining when incorporating new updates is beneficial or harmful. In this work, we study LLM continual post-training through three questions: What drives forgetting? When do sequentially acquired capabilities transfer or interfere? How can compatibility be used to control update integration? We address these questions through task geometry: we represent each post-training task by its parameter update and study the covariance geometry induced by the update. Our central finding is that: forgetting can be considered as a state-relative update-integration failure, it arises when the covariance geometries induced by tasks misalign with the geometry of the evolving model state. Sequential updates transfer when they remain compatible with the model state shaped by previous updates, and interfere when state-relative geometry conflict becomes high. Motivated by this finding, we propose Geometry-Conflict Wasserstein Merging (GCWM), a data-free update-integration method that constructs a shared Wasserstein metric via Gaussian Wasserstein barycenters and uses geometry conflict to gate geometry-aware correction. Across Qwen3 0.6B--14B on domain-continual and capability-continual settings, GCWM consistently outperforms data-free baselines, improving retention and final performance without replay data. These results identify geometry conflict as both an explanatory signal for forgetting and a practical control signal for LLM continual post-training.
Authors: Kevin Dao, Jose Israel Rodriguez
Abstract: We provide a counterexample to the minimal unimodal conjecture for polynomial neural networks (PNNs) with power activation functions. Fixing the input and output widths, the conjecture states that any minimal filling architecture has unimodal widths for the hidden layers. We found a counterexample via a frontier search and certified it using recursive dimension bounds and symbolic computation. Notably, several subarchitectures of this example exhibit large defect, in contrast with the predominantly small-defect behavior observed in prior examples.
Authors: Sze-Ann Chen, Zhi-Yi Chin, Kui-Yuan Chen, Chi-Yu Li, Ping-Chun Hsieh
Abstract: Ensuring the security of reinforcement learning (RL) models is critical, particularly when they are trained by third parties and deployed in real-world systems. Attackers can implant backdoors into these models, causing them to behave normally under typical conditions, but execute malicious behaviors when specific triggers are activated. In this work, we propose Plan2Cleanse, a test-time detection and mitigation framework that adapts Monte Carlo Tree Search to efficiently identify and neutralize RL backdoor attacks without requiring model retraining. Our approach recasts backdoor detection as a planning problem, enabling systematic exploration of temporally extended trigger sequences while maintaining black-box access to the target policy. By leveraging the detection results, Plan2Cleanse can further achieve efficient mitigation through tree-search preventive replanning. We evaluated our method in competitive MuJoCo environments, simulated O-RAN wireless networks, and Atari games. Plan2Cleanse achieves substantial improvements, increasing trigger detection success rates by more than 61.4 percentage points in stealthy O-RAN scenarios and improving win rates from 35\% to 53\% in competitive Humanoid environments. These results demonstrate the effectiveness of our test-time defense approach and highlight the importance of proactive defenses against backdoor threats in RL deployments. Our implementation is publicly available at https://github.com/rl-bandits-lab/RL-Backdoor.
Authors: Ngoc Bui, Hieu Trung Nguyen, Arman Cohan, Rex Ying
Abstract: The key-value (KV) cache is a major bottleneck in long-context inference, where memory and computation grow with sequence length. Existing KV eviction methods reduce this cost but typically degrade performance relative to full-cache inference. Our key insight is that full-cache attention is not always optimal: in long contexts, irrelevant tokens can dilute attention away from useful evidence, so selective, learnable eviction can improve generation rather than merely approximate the full cache. We introduce a global retention-based KV eviction method that learns each token's future utility under a unified memory budget. Lightweight retention gates assign utility scores to cached KV entries, and a shared final scoring projection calibrates these scores across all layers and heads. This enables a single global eviction policy in which tokens from different layers, heads, and modalities compete directly for cache capacity. We further provide theoretical analysis showing that preferentially retaining useful tokens reduces attention dilution, and we justify geometric retention as a query-agnostic proxy for future utility. Across diverse long-context language and vision-language reasoning, and multi-turn dialogue benchmarks, our method substantially reduces KV memory while matching or surpassing full-cache inference. These results suggest that learned, globally calibrated KV eviction is not only a compression technique, but also a mechanism for improving long-context reasoning.
Authors: Julien Lafrance, Richard Khoury, V\'eronique Tremblay
Abstract: Machine learning classifiers in dynamic environments face concept drift -- changes in the data-generating process that degrade performance. Conventional evaluation via static test sets or noise perturbations fails to preserve causal dependencies in tabular data, often producing causally invalid assessments. Post-hoc tools like SHAP and LIME offer correlational insights that may not reflect the causal mechanisms driving model failure. We propose a framework that complements existing drift detection by leveraging Structural Causal Models as "Digital Twins" of data-generating processes, enabling precise causal interventions while preserving structural dependencies. Our technique, Causal Parametric Drift Simulation, stress-tests classifiers to identify vulnerabilities before deployment. Experiments on the Open Sourcing Mental Illness (OSMH) dataset demonstrate that this approach exposes latent vulnerabilities invisible to standard statistical monitors.
Authors: Jingze Song, Zihao Chen, Wenqing Chen, Zibin Zheng
Abstract: Data selection is a key component of efficient instruction tuning for large language models, as recent work has shown that data quality often matters more than data quantity. Accordingly, prior studies have introduced various multi-dimensional heuristics to evaluate and filter instruction data. However, most existing methods rely on static task-agnostic and model-agnostic weighting schemes, which overlook the varying requirements of specific downstream tasks and the differing pre-existing capabilities of models. In this paper, we propose a framework for learning multi-indicator weights that jointly adapts data selection to both the downstream task and the specific model. Our method identifies optimal weight configurations without full-scale fine-tuning by utilizing in-context learning (ICL) signals on compact tiny-validation sets. These signals serve as efficient performance proxies that ensure high-fidelity evaluation at minimal computational cost. Experiments across multiple benchmarks and model families, including Mistral, Qwen, and Llama, show that the approach achieves performance comparable to or exceeding full-dataset tuning while using only 30\% of the training samples on GSM8K. Furthermore, our analysis reveals a trade-off between semantic diversity and logical complexity in reasoning tasks, highlighting the necessity of joint task-model adaptation.
Authors: Henok Tenaw Moges, Charalampos Skokos, Deshendran Moodley
Abstract: Spatio-temporal graph neural networks (STGNNs) are widely used for short-term forecasting in dynamic physical systems such as traffic and weather. However, the prevailing evaluation practice uses real world benchmark data sets in a single domain with a single fixed holdout splits, making it difficult to compare architectures across different dynamical regimes. We introduce ChaosNetBench (CNB), a synthetic benchmark dataset and evaluation framework for studying STGNN performance under controlled multidimensional chaotic dynamics. CNB is built on a lattice of coupled standard maps with independently tunable local chaos ($K$), coupling strength ($\varepsilon$), and system size ($N$), providing known topology and known dynamics across 96 system instances and 9{,}600 trajectories. We introduce chaos indicators, evaluation metrics and a protocol to analyze and compare the capacity of STGNN architectures to deal with different levels of local and global chaos. We illustrate the usage of the framework by analyzing 13 architectures (5 STGNNs and 8 non-graph baselines). The results reveal a regime dependent transition in which non-graph baselines (TCN, N-BEATS, iTransformer) remain competitive when there is low local chaos, while STGNNs (e.g., Graph WaveNet, D2STGNN, STAEformer) are generally more resilient to higher levels of local and global chaos. CNB provides a practical, reusable testbed for systematically comparing and analyzing the capacity of STGNN architectures to handle different levels of local and global chaos.
Authors: Prithul Sarker, Sushmita Sarker, Nicholas G. Murray, Alireza Tavakkoli
Abstract: The core challenge in unsupervised anomaly detection is identifying abnormal patterns without prior knowledge of their characteristics. While existing methods have addressed aspects of this problem, they often struggle to learn a robust representation of the normal data distribution that is distinct from anomalous patterns. In this paper, we present a novel framework, Unified Unsupervised Anomaly Detection ($\text{U}^2\text{AD}$), that comprehensively addresses anomaly detection in multivariate time series. Our approach learns the underlying data distribution of normal samples by utilizing score-based generative modeling. We introduce a novel time-dependent score network and a unified training objective that together delineate the manifold of normal data while considering both local and global temporal contexts. Reconstruction is then performed via a deterministic sampling process using an ordinary differential equation solver. Our extensive experimental evaluations demonstrate that $\text{U}^2\text{AD}$ not only outperforms current state-of-the-art methods in detection accuracy but also identifies anomalies at significantly earlier stages of their occurrence.
Authors: Isshaan Singh, Nandan Patel
Abstract: Population pharmacokinetic/pharmacodynamic (PK/PD) modeling traditionally relies on classical ordinary differential equations to simulate drug dynamics. In this work, we reformulate a compartmental PK/PD model as an open quantum system and implement it using quantum circuits developed in PennyLane. Four pharmacological compartments (central, peripheral, effect-site, and response) are encoded using twelve qubits, with inter-compartmental transitions represented through controlled quantum operations that emulate stochastic dynamics. The framework is evaluated on Phase 1 clinical data using a quantum-enhanced stochastic approximation expectation-maximization (SAEM) approach. Compared with the classical implementation, the quantum model achieves substantially improved log-likelihood values, indicating stronger statistical fit while preserving identical parameter estimates, thereby validating numerical consistency and model interpretability. The quantum-based optimization converges faster in terms of iterations, although total runtime is increased due to current simulation overhead. The study demonstrates stable large-scale simulation performance and establishes a hybrid quantum-classical approach that maintains biological fidelity while improving statistical modeling capacity. The dataset and problem statement originate from the Quantum Innovation Challenge 2025, and additional details are provided via the associated link.
Authors: Mohammad Amin Basiri, Charles Nicholson
Abstract: Discovering governing equations from observational data remains a fundamental challenge in scientific modeling, particularly when the underlying mathematical structure is unknown. Traditional sparse identification methods like SINDy excel at discovering parsimonious models but require researchers to specify candidate basis functions a priori, a limitation that often leads to model failure when critical terms are omitted or when systems exhibit unconventional dynamics. Purely symbolic regression approaches offer unlimited flexibility but struggle with noise sensitivity and frequently produce overly complex, unstable equations. We present AutoSINDy, a hybrid Discovery-then-Solve framework that combines the exploratory power of symbolic regression with the robust sparsity-promoting capabilities of SINDy. Our method operates in three stages: (1) PySR-based symbolic regression discovers candidate functional forms from bootstrapped data chunks; (2) a curation pipeline decomposes, expands, and filters these expressions using collinearity analysis to construct a minimal yet comprehensive library; and (3) SINDy identifies sparse governing equations from this custom-tailored library. Extensive experiments across canonical nonlinear systems demonstrate that AutoSINDy consistently recovers ground-truth equations even under high observational noise, achieving a ground-truth recovery rate of 92.8% across all trials. Compared with standard SINDy using enriched libraries and standalone symbolic regression, AutoSINDy achieves higher predictive accuracy, superior generalization to unseen trajectories, and substantially lower symbolic complexity.
Authors: Siteng Kang, Xinhua Zhang
Abstract: Training neural networks to satisfy universal constraints over continuous domains poses unique challenges. Common examples include Lyapunov Neural Networks (Lyapunov NNs) and Physics-Informed Neural Networks (PINNs), where analytical solutions are generally either unavailable or overly restrictive. Sample-based methods are therefore commonly used to enforce these constraints, and the choice of samples has a substantial impact on convergence speed, stability, and solution quality. Most existing methods rely on fixed heuristics or handcrafted rules, and are suboptimal in practice. In this paper, we aim to improve upon them by learning, from data and experience, how to dynamically and iteratively adjust the samples in response to the model's evolving learning performance. Trained by reinforcement learning, the learned policy improves empirical constraint satisfaction on test problems while significantly improving efficiency. We validate the approach on both Lyapunov NNs and PINNs, and demonstrate its broader applicability to domains where adaptive input selection is essential for effective training.
Authors: V\'ictor Gallego
Abstract: We present Metal-Sci, a 10-task benchmark of scientific Apple Silicon Metal compute kernels spanning six optimization regimes (stencils, all-pairs in $n$-body problems, multi-field Boltzmann, neighbor-list molecular dynamics, multi-kernel PDE, FFT). Each task ships a CPU reference, a roofline-anchored fitness function, and a held-out generalization size. We pair the benchmark with a lightweight harness for automatic kernel search that runtime-compiles each candidate, scores it against the roofline across multiple sizes, and feeds structured compile and per-size correctness diagnostics back to a frozen LLM driving a $(1{+}1)$ evolutionary loop. We report matched single-model sweeps of Claude Opus 4.7, Gemini 3.1 Pro, and GPT 5.5 on M1 Pro: in-distribution self-speedups span $1.00\times$ to $10.7\times$. Beyond raw speedup, our central methodological claim is structural: the held-out gate scoring function $\Phi_\mathcal{T}$ (evaluated once at end-of-run on a configuration the agent never sees during search) functions as a cheap mechanical oversight primitive on this automatic search loop, catching e.g. an Opus template
Authors: Marja Wahl, Daniel R. Bayer, Sven Rausch, Marco Pruckner
Abstract: Obtaining an accurate short-term forecasting for heat demand is an essential part of operating district heating networks cost-efficient and reliable. Heat consumption time series at the building level are highly dependent on exogenous variables such as outdoor temperature and individual usage patterns, making forecasting in this context a challenging task. Thus, this paper benchmarks novel Transformer-based and xLSTM architectures for short-term heat-demand forecasting. Using hourly data from 25 German buildings (2017-2025), we compare three-hour and 24-hour forecasting horizons relevant for intraday control and day-ahead scheduling. We establish a multi-building benchmark that tests whether models trained on pooled, heterogeneous building data are able to generalize across diverse building stock. The results show that the xLSTM achieves the lowest RMSE (19.88 kWh for three-hour, 21.47 kWh for 24-hour forecasts), while the Temporal Fusion Transformer attains the best MAE (9.16 kWh for three-hour forecasts). As xLSTMs and Transformers require long training times and have a huge number of trainable parameters, their sustainability remains questionable. Therefore, this paper further investigates the trade-off between predictive accuracy and computational resource demand of the evaluated forecasting models. The findings indicate that also low-parameter models like a traditional fully-connected network achieve good predictive results, highlighting that marginal accuracy gains of the novel prediction models come at substantial resource expense for this use case.
Authors: Yiding Song, Hanming Ye
Abstract: Existing accounts of grokking explain the phenomena in terms of mechanistic frameworks such as circuit efficiency or lazy-to-rich transitions. However, despite a known dependence between grokking and model size, how model capacity shapes grokking remains an open question. We give an information-theoretic account of this relationship on the task of modular arithmetic, showing that grokking does not immediately occur when a model becomes large enough to memorise the training set, but rather emerges as the outcome of a competition between two measurable timescales: a memorisation speed $T_{\text{mem}}(P)$ and a generalisation speed $T_{\text{gen}}(P)$, both of which are functions of model parameter count $P$. Adapting the information capacity framework of Morris et al. (2025), we estimate $T_{\text{mem}}(P)$ on random-label data of equivalent complexity and $T_{\text{gen}}(P)$ on the modular task itself, and show that grokking emerges close to the parameter scale where these timescales intersect. The framework also suggests an empirical model for predicting memorisation speed given model capacity and dataset complexity, recovering the previously reported empirical observation that larger models memorise faster. Overall, we motivate the formalisation of different learning timescales as important abstractions to study when explaining how model capacity shapes grokking on algorithmic tasks.
Authors: Bowen He, Juncheng Dong, Lin Lin, Xiang Cheng
Abstract: A central challenge in reinforcement learning (RL) is to learn models that generalize beyond the tasks on which they are trained, a goal traditionally pursued through multi-task and meta RL. Recently, transformer architectures have emerged as a promising approach, enabling adaptation to new tasks via in-context learning without explicit parameter updates. From a functional perspective, a transformer can be viewed as a functional operator that maps a context to a task-specific function. It is thus fundamental to understand and design this operator to support stronger generalization in RL. In this work, we address this resulting question of generalization from a kernel-based perspective by establishing a connection between non-linear transformers and kernel-based temporal difference learning. By interpreting the transformer as performing regression in a Reproducing Kernel Hilbert Space (RKHS), we show that value functions from different domains can be represented using a shared set of weights, provided they lie within the same RKHS. Experiments on multiple MetaWorld domains support this interpretation, demonstrating convergence of the temporal-difference objective.
Authors: Will LeVine, Brendan Evers, Sam Saltwick, Abhay Venkatesh
Abstract: Iterative self-refinement is a popular inference-time reliability technique, but its effectiveness in code-mode tool use depends heavily on the structure of the feedback signal: unstructured critique helps inconsistently across models, and even revision with real execution feedback improves only modestly ($0.75$ vs. $0.65$ baseline). The dominant failures are inter-tool contract violations - wrong output shape, incorrect tool routing, broken argument provenance - that run to completion without raising errors, making runtime feedback insufficient. We introduce RubricRefine, a training-free pre-execution reliability layer that generates task- and registry-specific rubrics, scores candidate code against explicit contract checks, and iteratively repairs failures before any execution occurs. With zero execution attempts, RubricRefine reaches $0.86$ on M3ToolEval averaged across seven models-improving over prior inference-time baselines on every model tested on this benchmark, at $2.6X$ lower latency than the strongest non-iterative alternative - and remains flat on the predominantly single-step API-Bank, consistent with the method's reliance on inter-tool contract structure. A rubric-category ablation and calibration analysis further characterize when and why the method works.
Authors: Li Lixing
Abstract: Modern large language models (LLMs) rely on system prompts to establish behavioral constraints and safety rules. Standard causal self-attention treats privileged instructions and untrusted user content with equal structural priority -- a mismatch that leaves models vulnerable to prompt injection and instruction erosion over extended contexts. We propose CALYREX (Cross-Attention LaYeR EXtended transformers), which utilizes cross-attention between input and system prompt to structurally isolate and anchor the rule. A placement ablation on a 1.5B backbone identifies insertion at the final eighth of layers as optimal, confirmed by mechanistic activation analysis showing behavioral constraints are naturally concentrated there. At 8B scale, controlling for training data, backbone, and parameter budget, CALYREX yields $+7.4\%$ on instruction-following (IFEval) and $+16.3\%$ on multi-turn instruction adherence, while reducing many-shot jailbreaking attack success rate by $13\%$. This advantage appears to widen with model scale, consistent with larger models more effectively utilizing the dedicated routing pathway.
Authors: Taylan Soydan, Miguel A. Bessa, Dirk Mohr, Rui Barreira
Abstract: Selective state space models (SSMs), such as Mamba, achieve strong per-token expressivity by making the time discretization step $\Tilde{\Delta}$ a learned function of the input. However, in doing so, $\Tilde{\Delta}$ ceases to represent a physical sampling interval, limiting its irregular time series modeling capability. Continuous-time SSMs, such as S5, preserve the physical meaning of $\Tilde{\Delta}$ and handle irregular timestamps natively ($\Tilde{\Delta}\equiv\Delta)$, but their dynamics remain linear time-invariant (LTI), limiting per-token expressivity. We propose \textbf{TIDES}, a selective SSM variant that reconciles selective and continuous architectures by moving input-dependence off the step size and onto the diagonal state matrix. As a result, $\Tilde{\Delta}$ retains its physical meaning, tied to the state discretization, allowing the model to handle irregular timestamps natively without sacrificing the per-token expressivity that makes selective SSMs effective. We show this on a novel \emph{Fading Flash} experimental benchmark, a compact controlled diagnostic for sequence models that jointly tests input-dependence and extrapolation to out-of-distribution $\Delta$ values, and isolates the distinct failure modes of current state-of-the-art architectures that TIDES avoids by construction. On large-scale benchmarks, TIDES sets the new state-of-the-art average rank on UEA time-series classification and the Physiome-ODE regression benchmark. Code available at: https://github.com/TaylanSoydan/TIDES.
Authors: Benjamin Patrick Evans, Sumitra Ganesh, Leo Ardon
Abstract: Large language models (LLMs) achieve remarkable generative performance, yet their output quality is dependent on the decoding strategy. While sampling-based methods (e.g., top-k, nucleus) and search-and-select based methods (e.g., beam search, best-of-n, majority voting) can improve upon greedy decoding, both approaches suffer from limitations: sampling generally commits to a single path, while search often expends excessive computation regardless of task complexity. To address these, we introduce Entropy-informed decoding (EDEN), a plug-and-play, model-agnostic decoding framework that adaptively allocates computation based on the model's own uncertainty, approximating higher-width beam search with fewer expansions. At each generation step, EDEN estimates the entropy of the output token distribution and adjusts the branching factor monotonically with the entropy, expanding more candidates in high-entropy regions and following a greedier path in low-entropy regions, improving token efficiency. Experiments across complex tasks, including mathematical reasoning, code generation, and scientific questions, demonstrate that EDEN consistently improves output quality over existing decoding strategies, achieving better accuracy-expansion trade-offs than fixed-width beam search. By treating next-token selection as a noisy maximisation problem, we prove that branching factors monotone in entropy are guaranteed to find better (i.e. more probable) continuations than any fixed branching factor within the same total expansion budget, and derive explicit regret rates characterising the benefit of the adaptive allocation.
Authors: Arsalaan Ahmad, Oktay Karakus, Paul L. Rosin
Abstract: Landslide detection from satellite imagery has advanced through deep learning, yet most models rely on large, highly correlated spectral-topographic inputs whose contributions remain poorly understood. The question of which channels are actually necessary has received surprisingly little attention. This matters: redundant or correlated inputs obscure physical interpretability, inflate computational overhead, and can actively degrade model performance through the Hughes Phenomenon. We present a systematic, explainable channel-selection framework for the Landslide4Sense benchmark, combining Sentinel-2 multispectral and ALOS PALSAR terrain data with 16 engineered spectral and structural indices. Rather than relying on conventional single-band drop tests, which evaluate channels in isolation and miss interaction effects, we apply Sequential Forward Floating Selection (SFFS) to iteratively build and prune a candidate feature pool using a lightweight U-Net++ proxy model. Beyond identifying a compact 8-channel subset that matches or exceeds the segmentation F1 of configurations using up to 30 channels, we use the selection process itself to interrogate which spectral and topographic features landslide models genuinely rely on, and what this reveals about the physical cues driving their predictions. We argue that SFFS represents a principled feature selection approach to input design in Earth observation, in contrast to the prevailing practice of appending every available band and hoping the model learns what to ignore.
Authors: Johannes Teutsch, Oleksii Molodchyk, Marion Leibold, Timm Faulwasser, Armin Lederer
Abstract: Providing non-conservative uncertainty quantification for function estimates derived from noisy observations remains a fundamental challenge in statistical machine learning, particularly for applications in safety-critical domains. In this work, we propose novel non-asymptotic probabilistic uniform error bounds for kernel-based regression. Compared to related bounds in the literature that are restricted to (conditionally) independent sub-Gaussian noise, our bounds allow to consider a broad class of non-Gaussian distributions, such as sub-Gaussian, bounded, sub-exponential, and variance/moment-bounded noise. Moreover, our results apply to correlated and uncorrelated noise. We compare our proposed error bounds with existing results in terms of the induced uncertainty region and their performance in safe control, demonstrating the tightness of the proposed bounds.
Authors: Ruan Dong, Yuanyun Zhang, Shi Li
Abstract: Representation learning in electronic health records (EHR) has largely followed paradigms inherited from natural language processing, relying on sequence modeling and reconstruction based objectives that treat clinical labels as ground truth. However, real world clinical supervision is inherently weak, arising from heterogeneous, noisy, and institution specific labeling processes such as billing codes, heuristic phenotypes, and incomplete annotations. In this work, we propose WISTERIA, a weakly supervised representation learning framework that models labels as stochastic observations of an underlying latent clinical state. Instead of optimizing against a single supervision signal, WISTERIA constructs multiple weak supervision operators and learns representations by enforcing consistency across their induced label distributions. This multi view formulation induces an implicit denoising mechanism, allowing the model to recover clinically meaningful structure by reconciling disagreement between noisy labelers. We further incorporate ontology aware regularization in the label space to impose semantic structure over supervision signals. Empirically, WISTERIA improves predictive performance across standard EHR benchmarks, demonstrates strong robustness to label noise, and exhibits superior cross institutional generalization compared to sequence based pretraining objectives. These results suggest that explicitly modeling the supervision process rather than treating labels as fixed targets provides a more appropriate inductive bias for learning robust and clinically meaningful representations from EHR data.
Authors: Wenbin Wang, Colin N. Jones
Abstract: Bayesian optimization (BO) is an efficient framework for optimizing expensive black-box functions. However, it is typically formulated as learning an end-to-end mapping from inputs to scalar objectives, thereby discarding the potentially rich information whenever a structured system output is available. In this work, we study Bayesian optimization over a vector-valued operator with structured measurements, where each measurement observes multidimensional or functional outputs, e.g., trajectories or spatial fields, rather than a single scalar value. The objective is then defined as a linear functional of these measurements. This allows each observation to reveal substantially richer information about the underlying system compared to scalar observations. Assuming the unknown operator lies in a vector-valued reproducing kernel Hilbert space (RKHS), we derive high-probability concentration bounds for the kernel ridge regression (KRR) estimator directly in the measurement space, characterizing uncertainty in a general Hilbert space. Building on these results, we propose an algorithm based on the upper confidence bound (UCB) acquisition function with regret guarantees under mild assumptions, recovering sublinear rates for common kernels. Empirically, we demonstrate that leveraging structured measurements leads to improved sample efficiency by enabling efficient transfer of information across objectives and adaptation to time-varying settings.
Authors: Jo\~ao Monteiro, Michal Klein, Pierre Ablin, Marco Cuturi
Abstract: Evaluating softmax attention over a fixed long context requires reading every cached key-value pair for each new query token. For a given context (a book, a manual, a legal corpus) the attention output is a deterministic function of the query. We propose Nectar, which fits a compact neural network to this function for queries drawn from a task-relevant distribution. Nectar fits two networks per layer and KV-head: a target network that predicts the attention output and a score network that predicts the log-normalizer. The pair plugs into the standard masked self-attention at inference time, replacing the $O(n)$ attention over the cache with a forward pass whose cost does not depend on $n$. Each module carries on the order of $|\theta|$ parameters per layer and KV-head, typically much smaller than the $2nd$ KV-cache footprint at the same granularity. We report experiments on models from 1.7B to 8B parameters across five long-context datasets. The approximation error tracks the next-token accuracy gap to full attention, and allocating capacity non-uniformly across layers reduces that gap in our ablation. Beyond this analysis of metrics, we check that the text generations (following a question prompt) of a model equipped with a Nectar module match in semantic content those obtained by giving the same model access to the full cache.
Authors: Songtao Wei, Yi Li, Zhikai Li, Xu Hu, Yuede Ji, Guanpeng Li, Feng Chen, Carl Yang, Zhichun Guo, Bingzhe Li
Abstract: Large reasoning models, such as OpenAI o1 and DeepSeek-R1, tend to become increasingly verbose as their reasoning capabilities improve. These inflated Chain-of-Thought (CoT) trajectories often exceed what the underlying problems require, wasting compute, latency, and context budgets. While introducing length-based efficiency rewards during reinforcement learning offers a natural remedy, existing methods struggle with two fundamental challenges: the optimal balance between correctness and efficiency is non-stationary throughout training, and intrinsic reasoning budgets vary drastically across problems. Relying on static reward weights and global length constraints inevitably forces a compromise between degraded accuracy and unrealized compression. To overcome these limitations, we propose LEAD (Length-Efficient Adaptive and Dynamic reasoning), a method that replaces static heuristics with online, self-adaptive mechanisms. LEAD dynamically calibrates the correctness-efficiency trade-off at each step using a Potential-Scaled Instability, directing optimization capacity to the most informative learning signal. Furthermore, it estimates an adaptive per-problem target length online based on the model's own correct rollouts, applying a symmetric efficiency reward that penalizes both overthinking and over-compression. Evaluated on five mathematical reasoning benchmarks, LEAD achieves the highest accuracy and Accuracy-Efficiency Score among RL-trained efficient-reasoning methods while producing substantially shorter outputs than the base model.
Authors: Prabhjot Singh, Abhishek Gupta, Chris Betz, Abe Flansburg, Brett Ives, Sudeep Lama, Jung Hoon Son
Abstract: Reinforcement learning (RL) in healthcare has had mixed results, with reward sparsity, unreliable off-policy evaluation, and deployment-simulation gap as recurring failure modes. We argue that chronic disease management is structurally a more tractable RL setting than the acute-care problems the field has primarily studied, but only if the problem is formalized to exploit chronic care's properties. We propose such a formalization. The agent's objective is to compress time-to-control (TTC) under a tiered reward calibrated to the CMS ACCESS Model. Two quantities from our companion preference-learning paper [Singh et al. 2026] enter as load-bearing structural elements: the execution intensity \epsilon bounds action availability under a constrained Markov Decision Process, and the clinician capability \kappa weights offline-data transitions during RL training. Together they couple preference learning and RL into a two-loop architecture. We present simulation results on synthetic state machines for hypertension and type 2 diabetes. Capability-weighted offline RL outperforms uniform-weighted offline RL and the behavior policy by 15 percentage points on T2D TTC; the uniform-weighted formulation (the standard in existing healthcare RL) underperforms even the heterogeneous behavior policy. \Epsilon-aware policies generalize across deployment regimes while \epsilon-naive policies do not.
Authors: Bian Sun, Kevin Zhai, Mubarak Shah, Zhenyi Wang
Abstract: Diffusion language models (DLMs) have recently emerged as a promising alternative to autoregressive models, primarily due to their ability to enable parallel decoding. Despite this advantage, most existing DLMs rely on a fixed generation length specified prior to decoding, which restricts their flexibility in real-world applications. While a few recent works attempt to support flexible-length generation, they typically suffer from notable limitations: some require costly retraining to accommodate variable-length outputs, while others depend solely on local confidence signals during decoding. Such local criteria fail to capture the evolving structure of the sequence, often resulting in suboptimal generation quality. In this paper, we propose a training-free, Bayesian structured decoding framework that formulates flexible-length generation as a dynamic structural inference problem. Our approach formulates flexible-length generation as a dynamic structural inference problem, jointly computing the expansion length, the block boundaries, and the decoding schedule. At each window expansion step, the method integrates local uncertainty with structural signals via a unified mechanism that supports dynamic structured generation, including both flexible block expansion and block organization, while maintaining coherence. Extensive experiments across multiple benchmarks demonstrate that our approach significantly improves generation quality and flexibility over existing fixed-length and flexible-length baselines. These results highlight the advantage of Bayesian structured decoding for diffusion language model, providing a principled and efficient solution for structured text generation.
Authors: Musa Cim, Poovaiah Palangappa, Miro Hodak, Ravi Dwivedula, Meena Arunachalam, Mahmut Taylan Kandemir
Abstract: Why does full-pipeline FP4 training of large language models often diverge, even when forward activations and activation gradients remain stable? We address this question through a controlled study of MXFP4 quantization in transformer training, progressively enabling FP4 across forward propagation (Fprop), activation gradients (Dgrad), and weight gradients (Wgrad) while holding all other factors fixed. In full pretraining of Llama 3.1-8B on the C4 dataset, we observe that quantizing Wgrad is the primary driver of convergence degradation, whereas FP4 in Fprop and Dgrad alone introduces only modest additional token requirements. To interpret this behavior, we evaluate both structured and stochastic interventions under a controlled experimental setting. We find that stochastic rounding and randomized Hadamard rotations fail to stabilize training once Wgrad is quantized, whereas deterministic Hadamard rotations consistently restore stable optimization. These results suggest that FP4 training instability is driven by structured micro-scaling errors along sensitive gradient paths, rather than by insufficient stochasticity. We run experiments with native MXFP4 support on AMD Instinct MI355X GPUs, enabling controlled investigation of these effects without reliance on software emulation.
Authors: Jay Shenoy, Miro Astore, Axel Levy, Fr\'ed\'eric Poitevin, Sonya M. Hanson, Gordon Wetzstein
Abstract: Knowledge of a protein's atomic conformational ensemble is critical to determining its function, yet state-of-the-art ensemble prediction models are limited by lack of high-quality conformational data from simulation or experiment. Recent advances in heterogeneous reconstruction for cryo-electron microscopy (cryo-EM) have enabled scientists to visualize ensembles of density maps for larger proteins and complexes not typically accessible through simulation, but building atomic models into these maps remains a challenge. Traditionally, ensemble prediction models are trained via a two-stage process: experimental density maps are converted into atomic structural ensembles through model building, after which these structures are used to train sequence-to-atomic ensemble predictors. In this work, we propose a new principle for fine-tuning pre-trained static structure prediction models such as Boltz-2 directly on raw cryo-EM maps, bypassing the two-stage process. We apply this technique to the problem of atomic model building by fine-tuning Boltz-2 to generate atomic conformations from an input ensemble of cryo-EM maps, achieving superior model building accuracy compared to prior work. Beyond overfitting to individual map ensembles, our method, CryoSampler, also shows preliminary evidence of in-domain generalization after fine-tuning, sampling diverse atomic conformations for an unseen sequences within the same protein family without requiring cryo-EM data. These capabilities indicate that CryoSampler holds the potential to train next-generation atomic ensemble prediction models directly on raw cryo-EM measurements.
Authors: Cheol Young Park, Shou Matsumoto
Abstract: We introduce the Free Energy Manifold (FEM), a score-trained conditional energy model specialized for inference in hybrid Bayesian networks with discrete and continuous variables. FEM represents each conditional factor as an energy landscape over learned discrete-parent embeddings and continuous observations, enabling posterior evaluation, generative sampling, and compositional inference across multiple continuous leaves by energy addition under conditional independence. A central finding is the mode-bridge artifact: standard conditional energy models can create low-energy ridges between separated modes of the same class, producing overconfident posteriors at off-data interior points. We analyze this failure and propose valley regularization, an off-data calibration term that restores near-uniform posteriors in such regions while preserving in-data fit. Across synthetic multimodal hybrid-BN benchmarks, FEM substantially reduces KL divergence relative to classical baselines and a vanilla conditional EBM, including large gains at mode-bridge midpoint queries and in multi-leaf evidence composition. We also evaluate high-cardinality discrete-parent settings and a UCI Breast Cancer sanity check, showing that FEM is most useful when multimodal or compositional Bayesian-network inference is required, while discriminative classifiers remain preferable for closed-world classification tasks.
Authors: Zhen Xiao, Yanfeng Gu, Xian Li
Abstract: Sub-footprint target mixing within a laser footprint significantly increases LiDAR intensity uncertainty, especially in complex environments where heterogeneous materials inside one footprint cause nonlinear distortions that impair intensity-based applications. However, the forward mixing inherent to the single-pixel detection mode of LiDAR systems blurs sub-footprint contributions, making sub-footprint effects difficult to address effectively in existing studies. To address this issue, we introduce a novel, physics-based framework that explicitly resolves sub-footprint intensity correction in full-waveform LiDAR (FW-LiDAR) point clouds. The key innovation is to make the otherwise implicit intra-footprint mixing process explicit: we first develop a spatiotemporal laser-beam distribution model to physically characterize within-footprint forward mixing of multi-target returns. Building on this formulation, we incorporate ancillary information including waveform parameters and surface geometry as constraints to pose a well-defined inverse unmixing problem and decompose each footprint into fractional contributions from multiple sub-targets. We then recover sub-footprint-corrected intensities by inverting the observed mixtures through a unified combination of parametric and model-driven approaches. To the best of our knowledge, few prior studies explicitly establish sub-footprint inversion and correction within a single laser footprint, and our framework offers a principled, physics-grounded solution. Experiments on both controlled and real-world LiDAR datasets demonstrate that the proposed method significantly enhances semantic separability across heterogeneous targets and intensity consistency across homogeneous targets.
Authors: Ashery Mbilinyi, Callum O'Riley, Julia Handra, Ashley Moller-Hansen, Jason Andrade, Marc Deyell, Cameron Hague, Nathaniel Hawkins, Kendall Ho, Jonathan Leipsic, Roger Tam
Abstract: Electrocardiogram (ECG) interpretation is essential for diagnosing a wide range of cardiac abnormalities. While deep learning has shown strong potential for automating ECG classification, many existing models rely on large, computationally intensive architectures that hinder practical deployment. In this paper, we present an empirical study of convolutional neural network (CNN) architectures, exploring tradeoffs between diagnostic accuracy and computational efficiency. We benchmark two established baselines: AttiaNet, a compact model composed of sequential temporal and spatial blocks, and DeepResidualCNN, the winning architecture of the 2021 PhysioNet/Computing in Cardiology Challenge. Building on these, we propose three lightweight models: (i) ParallelCNN, which employs dual temporal and spatial branches for parallel pattern extraction; (ii) ParallelCNNew, a variant with symmetric weight initialization for balanced feature learning; and (iii) SimpleNet, a streamlined architecture that jointly processes temporal and spatial dimensions. Our experiments span three publicly available 12-lead ECG datasets from Germany, China, and the United States, covering binary, multiclass, and multilabel classification tasks across diverse patient populations. We further evaluate the impact of integrating low-cost demographic metadata (age and sex) to improve performance with minimal overhead. To ensure fair comparison, we introduce a unified Efficiency Score that integrates model size, inference speed, memory usage, and AUC performance. By balancing diagnostic performance and efficiency, our models offer a scalable and viable foundation for next-generation AI systems in cardiovascular care.
Authors: Changhao Li, Yuchen Zhuang, Chenxiao Gao, Haotian Sun, Rushi Qiang, Chao Zhang, Bo Dai
Abstract: Post-training techniques combined with inference-time scaling significantly enhance the reasoning and alignment capabilities of large language models (LLMs). However, a fundamental tension arises: inference-time methods benefit from diverse sampling from a relatively flattened probability distribution, whereas reinforcement learning (RL)-based post-training inherently sharpens these distributions. To address this, we propose Exploration-Driven Optimization (EDO), which extends reward-biasing style exploration objectives to iterative post-training and integrates them into standard RL objectives, encouraging greater diversity in sampled solutions while facilitating more effective inference-time computation. We incorporate EDO into iterative Direct Preference Optimization (iDPO) and Group Relative Policy Optimization (GRPO), resulting in two variants: ED-iDPO and ED-GRPO. Extensive experiments demonstrate that both ED-iDPO and ED-GRPO exhibit greater solution diversity and improved reasoning abilities, particularly when combined with test-time computation techniques like self-consistency. Across three in-distribution reasoning benchmarks, EDO achieves a 1.0-1.3\% improvement over the strongest baselines, and delivers an additional 1.5\% average gain on five out-of-distribution tasks. Beyond accuracy, EDO preserves model entropy and stabilizes RL training dynamics, highlighting its effectiveness in preventing over-optimization collapse. Taken together, these results establish EDO as a practical framework for balancing exploration and exploitation in LLM reasoning, especially in settings that rely on test-time scaling.
Authors: Jimin Huang, Duanyu Feng, Nuo Chen, Xiaoyu Wang, Zhiqiang Zhang, Xueqing Peng, Mingquan Lin, Prayag Tiwari, Guojun Xiong, Alejandro Lopez-Lira, Sophia Ananiadou
Abstract: Federated learning (FL) enables training large language models (LLMs) without sharing raw data, but adapting LLMs under strict data isolation and non-IID client distributions remains challenging in practice. Synthetic data offers a natural privacy-preserving surrogate for local training, yet existing federated pipelines typically treat synthetic generation as static or loosely coupled with downstream optimization, leading to rapidly diminishing utility under heterogeneous clients. We study federated adaptation of LLMs on tabular tasks where raw records and validation data cannot be shared, and local training must rely entirely on synthetic tables. We propose Concordia, a tri-level optimization framework that aligns synthetic data generation with federated validation utility despite these constraints. At the client level, models are adapted via parameter-efficient LoRA training on synthetic tables. Clients additionally learn lightweight utility scorers from private validation feedback to reweight synthetic samples during local training. At the outer level, each client refines its own synthetic table generator using group-relative policy optimization (GRPO), guided by an ensemble of heterogeneous scorers shared across clients, without aggregating generator parameters or exposing validation data. Experiments on privacy-sensitive tabular benchmarks from finance and healthcare demonstrate that Concordia consistently improves federated performance, cross-client stability, and robustness to distribution shift compared to static and decoupled synthetic-data baselines.
Authors: Jingchuan Xiao, Xinyi Sui, Cihan Ruan
Abstract: Alignment, the tendency of adjacent weight matrices in deep networks to develop compatible subspace orientations, underlies gradient flow, Neural Collapse, and representation similarity across architectures. Despite extensive empirical documentation, these phenomena have resisted unified theoretical treatment: existing explanations are post-hoc, each fitted to a specific observation with whatever mathematics is at hand. We reverse this direction by deriving the mathematical structure that layerwise alignment inherently demands. Using geometric invariant theory, we prove that alignment geometry has a canonical closed, polystable stratum given by a flag variety, and that subspace intersection dimension is its unique reparameterization-invariant observable, establishing that subspace metrics are not empirical conventions but mathematical necessities. This unified framework yields two dynamical consequences: ridge regularization drives subspace alignment at an exponential rate set by weight decay, whereas nonlinear activations induce a commutator obstruction to exact basis alignment, generically present in nonlinear networks and absent in linear ones. Together these give a geometric explanation of the Level-2/3 hierarchy in Neural Collapse from first principles rather than post-hoc analysis. The commutator magnitude and head subspace overlap further serve as weight-space windows into internal alignment structure, requiring no forward passes. Experiments on multilayer perceptrons, residual networks, and pretrained language models support the proposed diagnostics and delineate their scope.
Authors: Danhui Zhang, Zhe Wang, Qing Qing, Jiarui Liu, Wentao Gao, Ziqi Xu, Mingliang Hou, Xikun Zhang, Renqiang Luo
Abstract: Graph learning research has increasingly shifted toward continual graph learning (CGL), which better reflects real-world scenarios where graphs evolve over time. However, existing CGL methods largely assume clean supervision and overlook a critical challenge: the newly arriving portions of the graph are often noisy, due to annotation errors or adversarial corruption. This mismatch limits their applicability in practice. In this work, we study robust continual graph learning, where models must simultaneously handle catastrophic forgetting and noisy supervision in evolving graph data. We show that label noise introduces a new failure mode, catastrophic remembering, where models persistently reinforce corrupted knowledge across tasks. To address these challenges, we propose a Unified Flow-Oriented framework (UFO). First, UFO models conditional feature distributions via flow-based generative modeling and produces replay representations, mitigating forgetting without storing historical data. Second, UFO estimates instance-level reliability scores to distinguish clean from noisy nodes, reducing the impact of corrupted supervision and alleviating catastrophic remembering. Extensive experiments on four benchmark graph datasets under varying noise ratios demonstrate that UFO consistently outperforms existing methods in both accuracy and forgetting metrics. Code is available at: https://anonymous.4open.science/r/UFO.
Authors: Emile Anand, Abdullah Ateyeh, Xinyuan Cao, Max Dabagia
Abstract: Large language models (LLMs) exhibit a strong capacity for in-context learning: Given labeled examples, they can generate good predictions without parameter updates. However, many interactive settings go beyond static prediction to online decision-making, in which effective behavior demands adaptation over long multi-turn horizons in response to feedback, and efficient algorithms in these domains must use compact representations of what they have learned. Recently, continuous transformer architectures with latent chain of thought have shown promise for offline iterative tasks such as directed graph-reachability. Motivated by this, we study whether continuous latent context tokens equip transformers to more effectively realize online learning. We give explicit constructions of constant-depth transformers that implement two foundational online decision-making procedures -- the weighted majority algorithm and $Q$-learning -- by storing their algorithmic state as linear combinations of feature embeddings, using a small number of latent context tokens. We further train a small GPT-2-style transformer with latent contexts using a multi-curriculum objective that does not directly supervise the latent states. On long synthetic online prediction sequences, this model outperforms larger and more complex LLMs, including Qwen-3-14B and DeepSeek-V3. Our results suggest that continuous latent contexts provide a simple and effective persistent state for transformers to implement online learning algorithms.
Authors: Tsuyoshi Okita
Abstract: We propose SVAR-FM (Structural VAR with Flow Matching), a framework for time series causal discovery that treats a physics-based simulator as a mechanical realization of Pearl's do operator. Clamping a variable inside the simulator physically severs confounding paths, producing interventional data by construction. Conditional Flow Matching then learns the nonlinear interventional conditionals. Theoretically, we prove that the full structural VAR becomes identifiable under a coverage condition on the simulator-clampable variables, and derive an end-to-end error bound that decomposes into Monte Carlo, simulator fidelity, and Flow Matching terms. A sign-flip corollary predicts that when simulator accuracy falls below a threshold, the estimated causal effect reverses sign. Empirically, a benchmark across four scientific domains confirms that SVAR-FM recovers the correct causal sign where observational methods produce sign-reversed estimates due to confounding. A case study in ultrafast laser physics verifies the sign-flip prediction by physically varying the accuracy level of a first-principles quantum solver: the low-accuracy setting reverses the causal sign, while the high-accuracy setting recovers the correct direction (R-squared = 0.983, zero bias).
Authors: Daniel Goldstein, Eugene Cheah
Abstract: We present Key-Value Means ("KVM"), a novel block-recurrence for attention that can accommodate either fixed-size or growing state. Equipping a strong transformer baseline with fixed-size KVM attention layers yields a strong $O(N)$ chunked RNN, while adding only an insignificant number of new parameters. We train a transformer with a growable KVM cache and show it performs competitively on long-context tests with only subquadratic prefill time and sublinear state growth. KVM is implementable with standard operations and without custom kernels, and supports chunk-wise parallelizable training and prefill. It provides many of the benefits of both traditional transformers (expandable context memory, chunk-wise parallelizable training and prefill) and linear RNNs in a single unified package. It can be used on every layer, saving KV-cache memory, and allowing a continuous range of choices of prefill time complexity between $O(N)$ and $O(N^2)$. It can also be implemented in a hybrid solution in tandem with LRNN layers in place of traditional attention, to supplement the LRNN with improved sublinear memory growth context length usage and long context decoding. We release our code at https://github.com/recursal/KVM-paper and trained models at https://huggingface.co/collections/recursal/key-value-means under the Apache 2.0 license.
URLs: https://github.com/recursal/KVM-paper, https://huggingface.co/collections/recursal/key-value-means
Authors: Eslam Zaher, Maciej Trzaskowski, Quan Nguyen, Fred Roosta
Abstract: Sparse autoencoders (SAEs) operationalise the linear representation hypothesis: they reconstruct model activations as sparse linear combinations of interpretable dictionary atoms, on the implicit assumption that activation space is well approximated by a globally linear structure. Their reconstruction error varies sharply across layers in ways that existing scaling laws, fitted at single layers, do not explain. We argue that this variation is the empirical trace of a geometric mismatch: where the activation manifold is curved and its intrinsic dimension varies across layers, no sparse linear dictionary can match it uniformly, and the SAE's width-sparsity scaling becomes a layer-dependent function of manifold structure rather than a single universal law. We conduct the first cross-layer SAE scaling study, fitting and regressing on 844 residual-stream Gemma Scope SAE checkpoints across 68 layers of Gemma 2 2B and 9B. Stage 1 fits a per-layer scaling-law surface; Stage 2 regresses the fitted parameters and the derived per-layer width exponents on four layerwise geometric summaries. We find that manifold geometry predicts the per-layer width exponent in both models, and that the same regression coefficients learnt on one model predict the other model's per-layer exponents under cross-model transfer, indicating a transferable geometric law. At the showcase layers where richer width grids permit identification of the asymptotic floor, we find that the fitted floor tracks the layerwise geometric ordering: higher curvature and intrinsic dimension correspond to higher floor, consistent with the irreducible second-order residual that any sparse linear approximation of a curved manifold must leave behind. SAEs thus encounter not a finite-resource ceiling but a geometry-dependent wall, set by the manifold they are trying to reconstruct.
Authors: Guisong Liu, Xin Gao, Martin Dresler, Jiansong Zhang, Pengfei Wei
Abstract: Automatic sleep staging commonly adopts Transformers under the assumption that they learn complex long-range dependencies. We challenge this view by revealing a neglected property of sleep sequences: strong local temporal continuity. We show that a randomly initialized Transformer, without any training, substantially improves sleep staging performance and consistently outperforms heuristic smoothing. We formalize this effect via a Random Attention Prior Kernel (RAPK), showing that random self-attention acts as an adaptive smoother by balancing global averaging and content-based similarity while preserving stage transitions. Using two metrics, the Local Smoothness Influence Index (LSII) and the Weighted Transition Entropy (WTE), we provide evidence that most performance gains in Transformer-based sleep staging arise from architectural inductive bias rather than parameter learning. Our results suggest that sleep staging can be effectively addressed with structure-driven smoothing mechanisms rather than complex dependency modeling, enabling more efficient and edge-deployable healthcare systems for large-scale physiological monitoring.
Authors: Oleksii Abramenko, Noah D. Stein, Colin Vaz
Abstract: Current approaches to detecting depression and anxiety from speech primarily rely on machine learning techniques that utilize hand-engineered paralinguistic features and related acoustic descriptors derived from time- and frequency-domain representations of speech signals. Applying deep learning methods directly to raw speech signals has the potential to produce biomarker representations with substantially greater predictive power. However, these approaches typically require large volumes of carefully annotated data to learn robust and clinically meaningful representations of the underlying biomarkers. In this paper, we describe our efforts toward developing a deep learning model trained on a large-scale proprietary dataset comprising ~65,000 utterances collected from more than 23,000 subjects representative of relevant United States demographics. We present the techniques employed and analyze their impact on model performance. Our results demonstrate that the proposed models can extract content-agnostic biomarker information, which, when combined with lexical features extracted from audio, yields improved predictive performance in production settings. Our models are evaluated on ~5000 unique subjects and achieve performance of 71% in terms of sensitivity and specificity. To foster further research in mental health assessment from speech, we release the best-performing model described in this paper on HuggingFace.
Authors: Yihang Zhang, Zimeng Huang, Ren Zhai, Yipeng Kang, Tonghan Wang
Abstract: Reconciling platform revenue with user experience in LLM advertising motivates a data-centric foundation. We introduce NaiAD, the first comprehensive dataset for LLM-native advertising comprising 58,999 carefully constructed ad-embedded responses paired with user queries. NaiAD is organized around theoretically grounded evaluation metrics that separately and comprehensively capture user and commercial utility. To mitigate the dimensional collinearity of aligned LLMs, we propose a decoupled generation pipeline that produces structurally diverse samples, ranging from responses that explicitly disentangle stakeholder utilities to responses that are uniformly strong or weak across dimensions. We further provide score labels calibrated by a Variance-Calibrated Prediction-Powered Inference (VC-PPI) framework, aligning automated scoring with human annotations. Mechanistic analyses reveal that successful ad integration relies on reasoning paths that cluster into four distinct semantic strategies. Models leveraging NaiAD internalize these strategies to simultaneously improve user and commercial utility, while enabling independent control over these distinct objectives via in-context learning. Together, these results position NaiAD as a foundational infrastructure for developing future LLM-native ad systems.
Authors: Xuexiang Wen, Hang Yu, Linchao Zhu, Gaoang Wang
Abstract: While Reinforcement Learning with Verifiable Rewards (RLVR) has recently emerged as a promising post-training paradigm for Large Language Models (LLMs), its dependency on the gold label or domain-specific verifiers limits its scalability to new tasks and domains. In this work, we propose Verifier-free Intrinsic Gradient-Norm Reward (VIGOR), a simple reward that uses only the policy model itself. Given a prompt, VIGOR samples a group of completions and assigns higher within-group rewards to outputs that induce smaller $\ell_2$ norms of the teacher-forced negative log-likelihood gradients under the current parameters. Intuitively, lower gradient norms suggest the completion aligns better with the current policy, serving as an intrinsic preference signal for policy optimization. To make this intrinsic signal practical for RL, we correct the systematic length bias of averaged token-level gradients with a $\sqrt{T}$ scaling, and apply group-wise rank shaping to stabilize reward scales across prompts. Across mathematical reasoning benchmarks, VIGOR outperforms the state-of-the-art Reinforcement Learning from Internal Feedback (RLIF) baseline, and it also exhibits cross-domain transfer to code benchmarks when trained only on math data. For instance, on Qwen2.5-7B-Base post-trained on MATH, VIGOR improves the average math accuracy by +3.31% and the average code accuracy by +1.91% over this baseline, while exhibiting more stable training dynamics. The code is available at https://github.com/ZJUSCL/VIGOR.
Authors: Pranshav Gajjar, Emmanuel Ojo, Vijay K Shah
Abstract: Deploying large language models in telecommunications requires more than task accuracy. In realistic workflows, a model may inherit partially completed reasoning from a prior step, an upstream agent, or its own earlier generation, and must continue that reasoning even when it is already going wrong. We introduce TeleResilienceBench, a benchmark that quantifies this capability, which we term reasoning resilience, across seven telecom sub-domains drawn from the GSMA Open-Telco LLM suite. Instances are constructed by collecting failures from a weak generator model, truncating the flawed reasoning trace at its midpoint, and asking a target model to continue and correct it. We propose the Correct Flip Rate (CFR) as a direct measure of successful recovery and evaluate eight models spanning the Qwen3.5, Gemma4, and Nemotron-3 families. Our results show that even the strongest model achieves a macro-average CFR of only 29.1%, and scale does not reliably improve resilience within families. Nemotron-3-nano 4b outperforms all Qwen3.5 variants including the 27b model and leads the auxiliary TeleMath numerical evaluation at 23.4% CR%, offering the best resilience-to-cost ratio in the set. A difficulty-stratified analysis further reveals that existing telecom benchmark difficulty labels reflect factual specificity rather than reasoning depth, suggesting that current evaluations measure knowledge coverage more than reasoning ability.
Authors: Tingyu Zhu, Yuhang Wu, Zeyu Zheng
Abstract: Many high-stakes decisions in health care, public policy, and clinical development require committing to a single policy that will be applied uniformly across a heterogeneous population. Regulatory and fairness standards sometime requires that the chosen policy performs adequately in every pre-specified subpopulation, not only on average. We formalize this as a Selection of the Best with Fairness Constraints (SBFC) problem, in order to identify the policy with the highest average performance among those policies that meet a minimum per-subpopulation threshold. We establish an instance-specific lower bound on sample complexity of the SBFC problem. We then develop a Track-and-Stop with Constraints on Subpopulation (T-a-S-CS) algorithm that achieves the lower bound asymptotically. We extend the framework to general closed-set and penalty-based fairness specifications with matching guarantees. Numerical experiments and a case study using the International Stroke Trial demonstrate substantial efficiency gains over policy-level allocation baselines.
Authors: Zehao Li, Yasuhiro Yoshikai, Shumpei Nemoto, Hiroyuki Kusuhara, Tadahaya Mizuno
Abstract: Understanding how chemical language models (CLMs) learn chemical meaning from molecular string representations, rather than only surface-level string patterns, is an important question in chemical representation learning and machine learning for chemistry. Chirality provides a demanding test case: enantiomers can differ greatly in pharmacological activity and toxicity, yet CLMs often struggle to distinguish chiral configurations reliably. Here we present Pan-CORE (Pan-Chemical Omniscale Representation Engine), a family of autoregressive Transformer-based encoder-decoder models for SMILES translation, and use high-temporal-resolution checkpoint analysis to investigate how chiral information is learned during training. Across all tested Pan-CORE variants, we observe a reproducible jump-up in which chiral-token accuracy rises abruptly after a long plateau, suggesting that chiral learning stagnation is not explained by model capacity alone and instead reflects the complexity of chiral constraints. Analyses of attention dynamics, residual-stream trajectories, and latent-space geometry support an encoder-centered mechanism in which chiral-token representations undergo transient destabilization and reconstruction, seen as a V-shaped drop and recovery in vector norm and directional stability, together with a clear reorganization of chiral molecular representations in the latent space. Encoder-decoder cross-evaluation further supports the encoder-centered nature of the transition, and targeted attention-head ablation identifies a small set of chiral-sensitive heads whose removal selectively reduces chiral-token accuracy even in the fully trained model. These findings show that SMILES translation can serve as a useful experimental system for mechanistic analysis of semantic emergence in CLMs, with implications for interpretable chemical representation learning.
Authors: Xurui Li, Zhiguo Gan, Jiaming Zhang, Zheng Liu, Diannan Lu
Abstract: Most feature selection algorithms, especially wrapper methods, run inefficiently on CPU based platforms because of their high computational complexity. This inefficiency makes them unsuitable for processing large scale datasets. To address this challenge, the present study proposed two GPU accelerated versions of the Boruta feature selection procedure, in which Boruta-Permut relies on permutation based feature importance and Boruta-TreeImp employs importance based on impurity reduction. To evaluate these methods we conducted experiments on both a self constructed dataset and several publicly available datasets. The experimental results show that the proposed GPU accelerated algorithms greatly improve computational efficiency while preserving feature selection accuracy comparable to the original Boruta algorithm. In our analysis we also observe that the impurity reduction based version can overestimate the importance of some features. Overall these findings suggest that performing Boruta feature selection on GPUs offers an effective and cost efficient solution for large scale data analysis, which is a good deal.
Authors: Roben Delos Reyes, Daniel Capurro, Nicholas Geard
Abstract: ML models in healthcare are typically evaluated using curated real-world EHR data. A key limitation of such evaluations is that they may fail to assess the robustness of ML models to changes in the data at deployment, which is a common issue because EHR data used for ML model development cannot capture all such changes. Mass casualty incidents (MCIs) caused by disasters are critical instances where this will be an issue, as they induce rare, uncertain, and novel changes to routine system conditions. Because real-world EHR data from MCIs are often limited or unavailable, assessing ML robustness under such conditions before deployment remains challenging. Here, we propose an agent-based modelling approach for generating synthetic EHR data to evaluate the robustness of ML models under MCI scenarios. We use real-world EHR data to develop and calibrate an agent-based model (ABM) of an emergency department (ED) that explicitly models patient arrivals, resource capacity, and clinical workflow. By changing these system conditions to reflect plausible MCI scenarios, the ED model generates synthetic versions of the real-world EHR data that exhibit shifts in system behaviour. Using these synthetic data, we test ML models for predicting length of stay. We observed consistent declines in recall under MCI conditions relative to baseline system conditions, resulting in an increase in the number of patients with prolonged length of stay that were missed by the ML models. These results highlight the impact of changes in system conditions on patient outcomes, EHR data, and ML model performance. Our work establishes ABM-based synthetic EHR data generation as a proactive and systematic approach for evaluating the robustness of ML models under MCI or other system conditions not captured in real-world EHR data, supporting the safer and more effective deployment of ML models in healthcare systems.
Authors: Chengsong Huang, Haolin Liu, Tong Zheng, Runpeng Dai, Langlin Huang, Jinyuan Li, Zongxia Li, Zhepei Wei, Yu Meng, Jiaxin Huang
Abstract: Self-evolving LLMs excel in verifiable domains but struggle in open-ended tasks, where reliance on proxy LLM judges introduces capability bottlenecks and reward hacking. To overcome this, we introduce G-Zero, a verifier-free, co-evolutionary framework for autonomous self-improvement. Our core innovation is Hint-$\delta$, an intrinsic reward that quantifies the predictive shift between a Generator model's unassisted response and its response conditioned on a self-generated hint. Using this signal, a Proposer model is trained via GRPO to continuously target the Generator's blind spots by synthesizing challenging queries and informative hints. The Generator is concurrently optimized via DPO to internalize these hint-guided improvements. Theoretically, we prove a best-iterate suboptimality guarantee for an idealized standard-DPO version of G-Zero, provided that the Proposer induces sufficient exploration coverage and the data filteration keeps pseudo-label score noise low. By deriving supervision entirely from internal distributional dynamics, G-Zero bypasses the capability ceilings of external judges, providing a scalable, robust pathway for continuous LLM self-evolution across unverifiable domains.
Authors: Andrew Lee, Fernanda Vi\'egas, Martin Wattenberg
Abstract: While researchers are finding concepts represented as linear directions in language models, a bag of linear directions fails to capture relational structure. To better understand this dichotomy, we study a model with known linear representations, but trained in a highly structured domain -- the board game Othello. While the model's internal board-state representation is linearly decodable, we find additional structure in the form of tensor product representations (TPRs). We train TPR probes to recover shared structure amongst the linear probes, yielding a factorization into square-embeddings, color-embeddings, and a binding matrix that composes them to construct the model's board-state representation. We find geometric signatures within the weights of our TPR probe that align with the structure of the board, but perhaps more importantly, that the linear probes can be recovered directly from the parameters of our TPR probe. Our findings suggest that directional representations may be projections of more structured underlying representations.
Authors: Debashis Guha
Abstract: Every adaptive learning system must alternate between two operations: consolidating what it already knows and expanding into new evidence. We propose \emph{Consolidation-Expansion Operator Mechanics} (OpMech), a framework that makes this structure precise. The central object is the \emph{order-gap} $\Ogap(\theta; e)$, the degree to which a consolidation operator~$Q$ and an expansion operator~$P_e$ fail to commute at a given knowledge state. Because the order-gap is computable from the system's own trajectory, it serves as a real-time control signal: large values indicate that the system is still sensitive to the ordering of consolidation and expansion; once the order-gap falls and stays small, further processing is unlikely to change the outcome. Three results give the signal precise meaning: the order-gap decays along convergent trajectories; a persistently large order-gap implies the system is far from its settled state; and an order-gap-based stopping rule terminates with provable guarantees in both noiseless and bounded-noise settings. The framework applies across five domains: bandits, reinforcement learning, stochastic optimization, continual learning, and recursive language models. We give conditions under which the order-gap reliably tracks convergence in three representative cases. We develop the recursive language model application in detail, showing how OpMech replaces heuristic stopping rules and fixed recursion budgets with principled, evidence-driven alternatives.
Authors: Sophie L. Wang, Phillip Isola, Brian Cheung
Abstract: How should hidden states generated autoregressively be collapsed into a representation that reflects a language model's internal state? Despite tokens being generated under causal masking, we find that mean pooling across their hidden states yields more semantic representations than any individual token alone. We quantify this through kernel alignment to reference spaces in language, vision, and protein domains. The improvement through mean pooling is consistent with information being distributed across generated tokens rather than localized to a single position. Furthermore, representations derived from generated tokens outperform those from prompt tokens, and alignment across generation reveals interpretable dynamics in model behavior.
Authors: Hoyeol Yoon, Seoungbin Bae, Nam Ho-Nguyen, Dabeen Lee
Abstract: Physics-informed neural networks (PINNs) are a promising approach for solving partial differential equations (PDEs). Their training, however, is often difficult because multiple loss terms induced by PDE residuals and boundary or initial conditions must be optimized simultaneously. To address this difficulty, existing approaches often construct update directions by explicitly enforcing particular desirable properties, such as scale robustness and simultaneous descent. While effective in many cases, such property-by-property designs can make it unclear which conditions are essential, what geometric principle determines the selected update direction, and how different methods are structurally related. In this work, we formulate update-direction selection for PINN training as a Chebyshev-center problem in the dual cone. The proposed formulation selects a normalized direction that maximizes the minimum distance to the cone facets. The resulting formulation admits an efficient dual problem in a much lower-dimensional space and yields a convergence guarantee in the nonconvex setting. It also recovers the key desirable properties targeted by existing approaches without imposing them separately; rather, they follow from the single geometric criterion underlying the formulation. This makes the selected direction interpretable through a single geometric rule and provides a unified basis for systematically comparing related direction-selection methods. Experiments on several PINN benchmarks further demonstrate strong empirical performance of the proposed method.
Authors: Do\u{g}a\c{c} Eldenk, Payal Mohapatra, Yigitcan Comlek, Kaan Oktay, Hongyang Zhang, Stephen Xia
Abstract: Speculative decoding accelerates LLM inference by drafting future tokens with a small model, but drafter models degrade sharply under template perturbation and long-context inputs. We identify a previously-unreported phenomenon we call \textbf{attention drift}: as the drafter generates successive tokens within a speculation chain, attention progressively moves from the prompt onto its own recently-generated tokens. We observe this across both \emph{EAGLE3} drafters and \emph{MTP heads}, suggesting drift is a property of drafter designs. We trace this to the un-normalized residual path between chain steps: the drafter's hidden state magnitude grows monotonically with chain depth, which exhibits dynamics consistent with additional pre-norm transformer layers stacked on the target rather than as a standalone autoregressive predictor. In order to limit the growth, we propose two architectural changes: Post-norm on the drafter hidden states and per-hidden-state RMSNorm after capturing target hidden states. Our interventions improve acceptance length over the current leading model, pre-norm EAGLE3, by up to $2\times$ under template perturbation, $1.18\times$ on long-context tasks, and $1.10\times$ on seven standard benchmarks spanning multi-turn chat, math, and coding. Our changes also allow shorter train-time-test depths to generalize over longer drafting sequences.
Authors: Haokun Liu, Zezhong Ding, Xike Xie
Abstract: Graph foundation models (GFMs), pretrained on massive graph data, have transformed graph machine learning by supporting general-purpose reasoning across diverse graph tasks and domains. Existing GFMs pretrained with fixed-hop subgraph sampling impose a fixed receptive field, causing scale mismatch on diverse tasks, which often require heterogeneous and unknown structural contexts beyond a fixed sampling scale. We propose R-GFM, a Riemannian Graph-of-Graphs (GoG) based foundation model, that treats structural scale as a first-class citizen in modeling. R-GFM constructs a multi-scale GoG over-sampled subgraphs at different hop distances and learns geometry-adaptive representations from Riemannian manifolds. Theoretical analysis shows that R-GFM reduces structural domain generalization error compared to fixed-scale GFMs. Experiments on various datasets demonstrate that R-GFM achieves state-of-the-art performance, with up to a 49% relative improvement on downstream tasks. Our code is available at https://github.com/USTC-DataDarknessLab/R-GFM.
Authors: Seth Karten, Joel Zhang, Tersoo Upaa Jr, Ruirong Feng, Wenzhe Li, Chengshuai Shi, Chi Jin, Kiran Vodrahalli
Abstract: Coding harnesses such as Claude Code and OpenHands wrap foundation models with tools, memory, and planning, but no equivalent exists for embodied agents' long-horizon partial-observability decision-making. We first report our Gemini Plays Pokemon (GPP) experiments. With iterative human-in-the-loop harness refinement, GPP became the first AI system to complete Pokemon Blue, Yellow Legacy on hard mode, and Crystal without a lost battle. In the hardest stages, the agent itself began iterating on its strategy through long-context memory, surfacing emergent self-improvement signals alongside human-in-the-loop refinement. Continual Harness removes the human fully from this loop: a reset-free self-improving harness for embodied agents that formalizes and automates what we observed. Starting from only a minimal environment interface, the agent alternates between acting and refining its own prompt, sub-agents, skills, and memory, drawing on any past trajectory data. Prompt-optimization methods require episode resets; Continual Harness adapts online within a single run. On Pokemon Red and Emerald across frontier models, Continual Harness starting from scratch substantially reduces button-press cost relative to the minimalist baseline and recovers a majority of the gap to a hand-engineered expert harness, with capability-dependent gains, despite starting from the same raw interface with no curated knowledge, no hand-crafted tools, and no domain scaffolding. We then close the loop with the model itself: an online process-reward co-learning loop, in which an open-source agent's rollouts through the refining harness are relabeled by a frontier teacher and used to update the model, drives sustained in-game milestone progress on Pokemon Red without resetting the environment between training iterations.
Authors: Fan Li, Xiaoyang Wang, Chen Chen, Wenjie Zhang
Abstract: The increasing prevalence of large-scale hypergraphs poses significant computational challenges for hypergraph neural network (HNN) training. To address this, hypergraph condensation (HGC) distills large real hypergraphs into compact yet informative synthetic ones, beyond graph condensation (GC) methods limited to pairwise relations. However, existing HGC methods rely on decoupled training architectures, where structure generators are pre-trained on the original hypergraph but not jointly optimized with condensed features during refinement, resulting in misaligned structures that degrade downstream utility. Moreover, trajectory-based optimization incurs substantial computational overhead in refinement, limiting condensation efficiency. To tackle these issues, we propose \textbf{A}nchor-guided \textbf{H}yper\textbf{G}raph \textbf{C}ondensation with \textbf{D}ual-level \textbf{D}iscrimination (\textbf{AHGCDD}), which consists of three key components: (1) a node initialization module based on Heat Kernel PageRank (HKPR) to encode structural knowledge into feature semantics; (2) an anchor-guided hyperedge synthesis strategy for joint optimization of condensed features and structure; (3) a theoretically grounded dual-level discrimination objective for utility-preserving condensation without redundant HNN training. Extensive experiments demonstrate the superior effectiveness and efficiency of AHGCDD.
Authors: Itai Shufaro, Gal Benor, Shie Mannor
Abstract: Hybrid mechanistic models, physical priors with learned residuals, promise to reduce the data required for good decisions, but have no computable criterion to test this. We characterize the value of mechanistic priors in sequential decision-making within both asymptotic and burn-in regimes. To formalize this, we introduce the mechanistic information of a model -- the mutual information between the model's recommended policy $\hat{\pi}$ and the true optimal policy $\pi^*$ -- quantified via an occupancy-weighted bias $B_\mu$. In the asymptotic regime (large $N$), matched bounds reveal that Bayesian regret scales with the residual entropy $H_{\mathrm{mech}}$, delivering a theoretical sample complexity reduction of $H(\mu)/H_{\mathrm{mech}}$ compared to an uninformed baseline. Furthermore, we provide a model certificate to determine empirical sample efficiency. Complementarily, in the clinically relevant burn-in regime (small $N$), we establish a lower bound on the penalty incurred by confidently wrong priors. We demonstrate both the asymptotic and burn-in bounds across 5-fluorouracil (5-FU) dosing simulations motivated by published FOLFOX pharmacokinetic data, where a hybrid prior yields large sample-efficiency gains in the burn-in regime. Finally, we contrast these grounded models with LLM priors, demonstrating that LLMs can suffer severe losses in mechanistic information, thereby motivating the exclusive use of physically-grounded priors for safety-critical applications.
Authors: Binxu Wang, Emma Lucia Byrnes Finn, Bingbin Liu
Abstract: Generative models trained on finite data face a fundamental tension: their score-matching or next-token objective converges to the empirical training distribution rather than the population distribution we seek to learn. Using rule-valid synthetic tasks, we trace this tension across two training timescales: $\tau_{\mathrm{rule}}$, the step at which generations first become rule-valid, and $\tau_{\mathrm{mem}}$, the step at which models begin reproducing training samples. Focusing on parity and extending to other binary rules and combinatorial puzzles, we characterize how these two clocks, $\tau_{\mathrm{rule}}$ and $\tau_{\mathrm{mem}}$, depend on key aspects of the learning setup. Specifically, we show that $\tau_{\mathrm{rule}}$ increases with rule complexity and decreases with model capacity, while $\tau_{\mathrm{mem}}$ is approximately invariant to the rule and scales nearly linearly with dataset size $N$. We define the \emph{innovation window} as the interval $[\tau_{\mathrm{rule}}, \tau_{\mathrm{mem}}]$. This window widens with increasing $N$ and narrows with rule complexity, and may vanish entirely when $\tau_{\mathrm{rule}} \geq \tau_{\mathrm{mem}}$. The same two-clock structure arises in both diffusion (DiT) and autoregressive (GPT) models, with architecture-dependent offsets. Dissecting the learned score of DiT models reveals a corresponding evolution of the optimization landscapes, where rule-valid samples' basins expand substantially around $\tau_{\mathrm{rule}}$, while training samples' basins begin to dominate around $\tau_{\mathrm{mem}}$. Together, these results yield a unified and predictive account of when and how generative models exhibit genuine innovation.
Authors: Wilson Wongso, Lihuan Li, Arian Prabowo, Xiachong Lin, Baiyu Chen, Hao Xue, Flora D. Salim
Abstract: Generating high-fidelity synthetic GPS trajectories is increasingly important for applications in transportation, urban planning, and what-if scenario simulation, especially as privacy concerns limit access to real-world mobility data. Existing trajectory generation models face a trade-off between efficiency and faithfulness to road network topology: continuous-space methods enable fast generation but ignore the road network, while topology-aware approaches rely on search-based autoregressive decoding that limits generation speed. We propose TrajDLM, a topology-aware trajectory generation framework based on block diffusion language models that bridges this gap. TrajDLM models trajectories as sequences of discrete road segments, combining a block diffusion backbone for efficient denoising, topology-aware embeddings from a road network encoder, and topology-constrained sampling to ensure coherent and realistic trajectories. Across three city-scale datasets, TrajDLM achieves strong performance on fine-grained local similarity metrics while being up to $2.8\times$ faster than prior work, and demonstrates strong zero-shot transfer across domains, including unseen transportation modes. These results highlight the effectiveness of block-wise discrete diffusion as a scalable approach to accurate and efficient trajectory generation. Our code is available at https://github.com/cruiseresearchgroup/TrajDLM/
Authors: Yongjae Shin, Jongseong Chae, Seongmin Kim, Jongeui Park, Youngchul Sung
Abstract: Action chunking emerged as a pivotal technique in imitation learning, enabling policies to predict cohesive action sequences rather than single actions. Recently, this approach has expanded to reinforcement learning (RL), enhancing behavioral consistency and reducing bootstrapping errors in value function estimation. However, existing methods rely on a fixed chunk length, creating a performance bottleneck as the optimal length varies across states and tasks. In this paper, we propose Adaptive Action CHunking (ACH), a novel offline-to-online RL algorithm that dynamically modulates chunk length during both training and inference. To find the optimal chunk length for a dynamically varying current state, we simultaneously estimate action-values for all candidate chunk lengths in a single forward pass, using a Transformer-based architecture. Our mechanism allows the agent to select the most effective chunk length adaptively based on the current state. Evaluated on 34 challenging tasks, ACH consistently outperforms fixed-length baselines, demonstrating superior generalization and learning efficiency in complex environments.
Authors: Jinping Wang, Zixin Tong, Zhiwu Xie, Zhiqiang Gao
Abstract: Loss reweighting is a widely used strategy for long-tailed classification, but existing reweighting strategies often rely on heuristics and rarely define a well-specified target. Inspired by Neural Collapse (NC), the ideal simplex Equiangular Tight Frame (ETF) terminal geometry suggests equal per-class average loss as a reasonable target for reweighting. Based on the ideal equal loss objective, we consider loss reweighting as an inverse problem and propose an inverse-view reweighting strategy that infers class weights dynamically to match this ideal objective. Empirically, NC metrics suggest our method can effectively reduce the loss imbalance coefficient and closer alignment with NC geometry while consistently outperforming strong long-tailed baselines on different datasets.
Authors: Huilin Zhou, Jian Zhao, Yilu Zhong, Zhen Liang, Xiuyuan Chen, Yuchen Yuan, Tianle Zhang, Chi Zhang, Lan Zhang, Xuelong Li
Abstract: Red teaming is critical for uncovering vulnerabilities in Large Language Models (LLMs). While automated methods have improved scalability, existing approaches often rely on static heuristics or stochastic search, rendering them brittle against advanced safety alignment. To address this, we introduce Metis, a framework that reformulates jailbreaking as inference-time policy optimization within an adversarial Partially Observable Markov Decision Process (POMDP). Metis employs a self-evolving metacognitive loop to perform causal diagnosis of a target's defense logic and leverages structured feedback as a semantic gradient to refine its policy, offering enhanced interpretability through transparent reasoning traces. Extensive evaluations across 10 diverse models demonstrate that Metis achieves the strongest average Attack Success Rate (ASR) among compared methods at 89.2%, maintaining high efficacy on resilient frontier models (e.g., 76.0% on O1 and 78.0% on GPT-5-chat) where traditional baselines exhibit substantial performance degradation. By replacing redundant exploration with directed optimization, Metis reduces token costs by an average of 8.2x and up to 11.4x. Our analysis reveals that current defenses remain vulnerable to internally-steered, closed-loop reasoning trajectories under the tested settings, highlighting a critical need for next-generation defenses capable of reasoning about safety dynamically during inference.
Authors: Bin Wang, Anqi Liu, Jiangtao Zhao, Yanyong Huang, Peilan He, Guiyuan Jiang, Feng Hong, Yanwei Yu, Tianrui Li
Abstract: Short-term air traffic flow prediction in terminal airspace is essential for proactive air traffic management. Existing approaches predominantly model traffic flow as aggregated time series, despite traffic dynamics being governed by aircraft states and interactions in continuous airspace. Such aggregation obscures fine-grained information including aircraft kinematics, boundary interactions, and control intent. Here we present AeroSense, a state-to-flow modeling framework that predicts future traffic flow directly from instantaneous airspace situations represented as dynamic sets of aircraft states derived from ADS-B trajectories. By establishing an end-to-end mapping from microscopic aircraft states to future regional traffic flow, AeroSense preserves aircraft-level dynamics while naturally accommodating varying traffic density without relying on historical look-back windows. Experiments on a large-scale real-world dataset show that AeroSense consistently improves predictive accuracy over aggregation-based forecasting approaches, particularly during high-density traffic periods. These findings suggest that instantaneous airspace situations provide an effective alternative to conventional time-series-based traffic forecasting paradigms.
Authors: Gaurav Gaurav, Ibrahem ALJabea, Yaroslav Zakomornyy, Eric Frank, Mohamed Elhamdadi, Theodore Papamarkou, Mustafa Hajij
Abstract: Many modern datasets mix points, edges, regions, groups, objects, events, hyperedges, and relations. Yet neural architectures often force such data into grids, graphs, or sequences, obscuring higher-order structure and making encoder-decoder designs domain-specific. We view U-Net not as a grid-specific architecture, but as a hierarchical encoder-decoder principle: representation spaces, transport maps between levels, and skip connections between matched levels. Combinatorial complexes naturally supply these ingredients through cells, incidences, and ranks. We introduce TopoU-Net, a rank-path U-Net for topological domains. Given a path from an input rank to a bottleneck rank and back, the encoder lifts cochains upward along incidence maps, the decoder transports them downward, and skip connections merge features at matched ranks. Rank replaces spatial scale: choosing paths through nodes, edges, faces, hyperedges, or global cells becomes the central architectural decision. A key quantity is the bottleneck support ratio, the number of cells at the bottleneck relative to the number of cells at the input rank. This ratio is fixed by the complex and chosen path rather than by arbitrary pooling, and it clarifies when skip connections are optional, useful, or structurally important. Across node classification, graph classification, hypergraph node classification, mesh classification, and image reconstruction, TopoU-Net provides a reusable encoder-decoder template for higher-order structured data. Among the evaluated baselines, it achieves the strongest mean accuracy on six of eight node-classification datasets and four of five hypergraph datasets, with the largest gains on heterophilic graphs. Ablations show that removing skip connections is most damaging under severe bottleneck compression.
Authors: Xiangkai Wang, Yun Zhao, Dongyi He, Qingling Xia, Gen Li, Xinlai Xing, Yuchi Pan, Bin Jiang
Abstract: Motor imagery electroencephalography (MI-EEG) decoding offers a non-invasive route for post-stroke rehabilitation, but cross-patient use remains difficult because pathological neural reorganization changes task-related EEG dynamics, aperiodic activity, local excitability, cross-regional coordination, and trial-level brain-state context. This makes source-learned MI representations unreliable for unseen patients. To address this problem, we propose CFSPMNet, a cross-patient adaptation framework that models post-stroke MI-EEG as latent neural-state organization. CFSPMNet combines a Fourier-Reorganized State Mamba Network (FRSM) with Shared-Private Prototype Matching (SPPM). FRSM represents each trial as a latent physiological token sequence, reorganizes token states in the Fourier domain, and uses Fourier-derived trial context to guide Mamba state-space propagation. SPPM improves target pseudo-label updating by combining semantic confidence with shared-private physiological consistency, filtering confident but physiologically inconsistent target predictions. Leave-one-subject-out experiments on two stroke MI-EEG datasets show that CFSPMNet outperforms representative CNN-, Transformer-, Mamba-, and adaptation-based baselines, achieving average accuracies of 68.23% on XW-Stroke and 73.33% on 2019-Stroke, with gains of 5.63 and 8.25 percentage points over the strongest competitors. Ablation, sensitivity, feature-alignment, pseudo-label selection, and neurophysiological visualization analyses further support the roles of Fourier-domain token-state reorganization and calibrated pseudo-label updating. These results suggest that latent neural-state modeling can improve rehabilitation-oriented cross-patient BCI decoding. Code is available at https://github.com/wxk1224/CFSPMNet.
Authors: Anmar Karmush, Cedric Mathieu Brandenburg, Soheil Ershadrad, Johanna Ros\'en, Michael Felsberg, Filip Ekstr\"om Kelvinius
Abstract: Tackling the task of materials generation, we aim to enhance the previously proposed All-atom Diffusion Transformer (ADiT) by introducing SymADiT, a symmetry-aware variant. To do so, we use a representation of materials based on Wyckoff positions. We follow ADiT and perform generative modelling in latent space, adapted to our symmetry-aware representation. By forcing the output of the generative model to adhere to the symmetry restrictions imposed by the generated crystal's space group and each atom's Wyckoff-position, the generated materials exhibit more realistic symmetry properties. We benchmark our method against both symmetry-aware and symmetry-agnostic models for materials generation and show competitive performance, generating stable, symmetric materials with a simple Transformer architecture.
Authors: Alberto Fern\'andez-Hern\'andez, Cristian P\'erez-Corral, Jose I. Mestre, Manuel F. Dolz, Enrique S. Quintana-Ort\'i
Abstract: Recent evidence suggests that Adam performs robustly when its momentum parameters are tied, $\beta_1=\beta_2$, reducing the optimizer to a single remaining parameter. However, how this parameter should be set remains poorly understood. We argue that, in balanced Adam, $\beta$ should not be treated as a dimensionless constant: it defines a statistical memory horizon $H_\beta=(1-\beta)^{-1}$. In terms of the effective learning horizon $T_{\mathrm{ES}}$, estimated from the validation trajectory, we study the refresh count $R_\beta=(1-\beta)T_{\mathrm{ES}}$, which measures how many times Adam renews its internal statistics during the useful phase of training. Across 11 vision and language experiments, we find that choosing $\beta$ so that $R_\beta\approx1000$ selects different $\beta$ values depending on the training scale, yet improves robustness over the best fixed-beta baseline. Compared with the strongest fixed choice $\beta=0.944$, the refresh rule improves worst-case robustness, reducing the maximum relative gap in validation loss by 33.4\%, while bringing all 11 runs within 1\% of their validation oracle. These results suggest that the remaining hyperparameter of balanced Adam is more naturally viewed as a memory-scale variable than as a fixed constant. This provides a simple budget-aware perspective on optimizer scaling and opens a path toward treating Adam's momentum as part of the learning dynamics rather than as a static default.
Authors: Christian Oliva, Vinicio Changoluisa, Francisco B Rodr\'iguez, Luis F Lago-Fern\'andez
Abstract: Brain-Computer Interfaces (BCIs) based on P300 event-related potentials offer promising applications in health, education, and assistive technologies. However, challenges related to inter- and intra-subject variability and the explainability of Deep Learning (DL) models limit their practical deployment. In this work, we present the Post-Recurrent Module (PRM), an additional layer designed to improve both performance and transparency, incorporated into a Recurrent Neural Network (RNN) architecture for classifying P300 signals from EEG data. Our approach enables a dual analysis of spatio-temporal signals through both global and local explainability techniques, allowing us not only to identify the most relevant brain regions and critical time intervals involved in classification, but also to interpret model decisions in terms of spatio-temporal EEG patterns consistent with well-stablished neurophysiological descriptions of the P300. Experimental results show a 9\% improvement in performance over state of the art, while also revealing the importance of inter- and intra-subject variability, in alignment with established neuroscience literature. By making model decisions transparent and efficient, we present a framework for explainable EEG-based models. This framework is not limited to more efficient P300 detection, but can be generalized to a wide range of EEG-based tasks. Its ability to identify key spatial and temporal features makes it suitable for applications such as motor imagery, steady-state visual evoked potentials, and even cognitive workload assessment.
Authors: Leona Hioki
Abstract: Complex-valued Transformers have largely inherited softmax attention from real-valued architectures. However, row-normalised token competition is not necessarily aligned with phase-preserving computation. In this paper, we introduce the Phase-Coherent Transformer (PCT), which applies a real-valued, element-independent, smooth gate to L2-normalised complex query-key similarities. PCT replaces token competition with token-non-competing attention and is designed to preserve phase information across layers. Across mid-scale benchmarks spanning long-range memory, hierarchical long-range reasoning, positional retrieval, phase-based memory and superposition, and image classification, PCT shows strong generalisation across task categories. Under parameter-fair comparison, PCT consistently outperforms both the standard softmax Transformer and its direct complex-valued counterpart. Moreover, even on tasks traditionally considered difficult for complex-valued neural networks, such as NIAH and LRA-Text, PCT remains competitive with Multiscreen, the strongest real-valued NN baseline in our comparison. Experiments introducing gates that deliberately violate the PCT conditions show that the design is not incidental: smooth gates that preserve negatively aligned phase components remain strong, whereas gates that delete such components collapse on long-range retrieval, and gates whose outputs become excessively large suffer clear performance degradation. PCT also shows no depth-related accuracy collapse across the tested depth range. These results support introducing multi-layer phase-coherent structure into attention as a promising design principle for achieving generalisation in complex-valued Transformers.
Authors: Bum Jun Kim, Gnankan Landry Regis N'guessan
Abstract: Physics-informed neural networks (PINNs) train a single neural approximation by minimizing multiple physics- and data-derived losses, but the gradients of these losses often interfere and can stall optimization. Existing remedies typically treat this pathology either through scalar loss balancing or full-parameter-space gradient surgery, leaving it unclear which intervention is most appropriate. We show that PINN gradient conflict is not a uniform failure mode with one universal remedy. Instead, we identify distinct PINN gradient-conflict regimes, each associated with a different intervention class. Persistent directional conflict may require separate loss-indexed parameter subspaces, magnitude imbalance often favors scalar reweighting, and low or transient conflict may require no extra mitigation. To select between scalar reweighting and a lightweight architectural intervention, we propose a diagnostic-first framework. It profiles a 1000-step unmodified PINN run and, when intervention is warranted, uses one low-rank adapter per loss to create explicit loss-indexed parameter subspaces attached to a shared PINN trunk, providing each loss with a direct gradient pathway. Across more than 60 PDE configurations, including forward, inverse, multi-physics, parameter-varying, and high-dimensional problems up to 50D, persistent directional conflict dominates standard forward $K=3$ benchmarks and a natural $K=4$ thermoelastic system, where adapters combined with reweighting yield significant improvements. In contrast, $K=3$ inverse problems and natural $K=5$ and $K=6$ multi-physics systems are largely magnitude-dominated and often favor reweighting alone, while full-parameter-space gradient surgery can fail on heterogeneous parameter spaces.
Authors: Zhengmiao Wang, Ming Chi, Zhi-Wei Liu, Lintao Ye, Carla Fabiana Chiasserini
Abstract: This paper addresses the problem of learning to sparsify stochastic linear bandits, where a decision-maker sequentially selects actions from a high-dimensional space subject to a sparsity constraint on the number of nonzero elements in the action vector. The key challenge lies in minimizing cumulative regret while tackling the potential NP-hardness of finding optimal sparse actions due to the inherent combinatorial structure of the problem. We propose an adaptively phased exploration and exploitation algorithmic framework, utilizing ordinary least squares for parameter learning and specialized subroutines for sparse action selection. When the action set is a Euclidean ball, optimal sparse actions can be efficiently computed, enabling us to establish a $\tilde{\mathcal{O}}(d\sqrt{T})$ regret, where $d$ is the dimension of the action vector and $T$ is the time horizon length. For general convex and compact action sets where finding optimal sparse actions is intractable, we employ a greedy subroutine. For general strongly convex action sets, we derive a $\tilde{\mathcal{O}}(d \sqrt{T})$ $\alpha$-regret; for general compact sets lacking strong convexity, we establish a $\tilde{\mathcal{O}}(d T^{2/3})$ $\alpha$-regret, where $\alpha$ pertains to the approximation ratio of the greedy algorithm. Finally, we validate the performance of our algorithms using extensive experiments including an application to recommendation system.
Authors: Xiaoxiao Lu, Ye Yuan, Jiahao Shi
Abstract: Long-horizon forecasting of time-dependent partial differential equations (PDEs) is critical for characterizing the sustained evolution of physical systems. While neural operators have emerged as efficient surrogates, they typically learn implicit finite-time transitions from discrete observations. When deployed autoregressively, such propagators often suffer from rapid error accumulation and dynamic drift. To address this, we propose a neural forecasting framework that reformulates PDE rollout as learning a Structured Spectral Propagator (SSP) in a propagation-oriented latent space. Following an analysis-propagation-synthesis design, our framework: (i) maps physical states into a shared, time-consistent spatial representation; (ii) projects this space into a compact propagation state to isolate recurrent dynamics from fine-grained spatial details, thereby decoupling reconstruction fidelity from rollout regularity; and (iii) evolves retained spectral modes using a frequency-conditioned linear backbone complemented by a nonlinear spectral closure to account for truncated interactions. This explicit structuring endows the propagator with a strong inductive bias for coherent modal evolution. Extensive experiments demonstrate that SSP significantly outperforms state-of-the-art baselines, reducing relative $L_2$ errors by up to 48.9% and exhibiting improved stability in temporal extrapolation beyond the supervised horizon.
Authors: Artyom Gadetsky, Maxim Kodryan, Siba Smarak Panigrahi, Hang Guo, Maria Brbic
Abstract: Process Reward Models (PRMs) are a powerful mechanism for steering large language model reasoning by providing fine-grained, step-level supervision. However, this effectiveness comes at a significant cost: PRMs require expert annotations for every reasoning step, making them costly and difficult to scale. Here, we propose a method for training unsupervised PRMs (uPRM) that requires no human supervision, neither at the level of step-by-step annotations nor through ground-truth verification of final answers. The key idea behind our approach is to define a scoring function, derived from LLM next-token probabilities, that jointly assesses candidate positions of first erroneous steps across a batch of reasoning trajectories. We demonstrate the effectiveness of uPRM across diverse scenarios: (i) uPRM achieves up to 15% absolute accuracy improvements over the LLM-as-a-Judge in identifying first erroneous steps on the ProcessBench dataset; (ii) as a verifier for test-time scaling, uPRM performs comparably to supervised PRMs and outperforms the majority voting baseline by up to 6.9%, and (iii) when used as a reward signal in reinforcement learning, uPRM enables more robust policy optimization throughout training compared to a supervised PRM trained using ground-truth labels. Overall, our results open a path toward scalable reward modeling for complex reasoning tasks.
Authors: Leon Armbruster, Rathan Ramesh, Georg Kruse, Christopher Straub
Abstract: jNO (jax Neural Operators) is a JAX-native library for neural operators and foundation models with unified support for both data-driven and physics-informed training. Its core design is a tracing system in which domains, model calls, residuals, supervised losses, and diagnostics are written in one symbolic language and compiled into one optimization pipeline. This allows users to move between operator regression, mesh-aware residual evaluation, and PDE-constrained training without restructuring the surrounding code. jNO also supports multi-model compositions, fine-grained control at parameter level (model, optimizer, and learning rate), hyperparameter tuning, and JAX-native workflows for translated PDE foundation-model families. The source repository is available at https://github.com/FhG-IISB/jNO.
Authors: Alberto Fern\'andez-Hern\'andez, Jose I. Mestre, Cristian P\'erez-Corral, Manuel F. Dolz, Jose Duato, Enrique S. Quintana-Ort\'i
Abstract: Weight decay remains one of the most widely used regularization mechanisms for training convolutional neural networks, yet it is still commonly applied as a fixed coefficient shared by all layers throughout training. This uniform treatment ignores that different layers may follow different structural dynamics and therefore may require different regularization strengths. In this work, we propose OUIDecay, an adaptive layer-wise and time-dependent weight decay scheduler for CNNs driven by the Overfitting-Underfitting Indicator (OUI), an activation-based metric previously shown to provide early information about regularization quality. OUIDecay uses a lightweight batch-based formulation of OUI to monitor the structural behavior of each layer online and periodically rescales its weight decay relative to the other layers in the network. Unlike gradient-based adaptive decay methods, our approach relies on functional information extracted from activation patterns and does not require validation data. Experiments on EfficientNet-B0 with Stanford Cars, ResNet50 with Food101, DenseNet121 with CIFAR100, and MobileNetV2 with CIFAR10 show that OUIDecay achieves the best mean best-validation-loss in 7 out of 8 evaluated settings. These results indicate that activation-driven weight decay adaptation is a practical and effective alternative to fixed decay and gradient-based adaptive decay, while keeping the method lightweight and suitable for online use.
Authors: Roi Holtzman, Dmitry Krotov, Boris Hanin
Abstract: Dense Associative Memory (DenseAM) is a promising family of AI architectures that is represented by a neural network performing temporal dynamics on an energy landscape. While hyperparameter transfer methods are well-studied for feed-forward networks, these methods have not been developed for settings in which weights are shared across layers and within the layer, which is common in DenseAMs. Additionally, DenseAMs utilize rapidly peaking activation functions that are rarely used in feed-forward architectures. The confluence of these aspects makes DenseAM a challenging framework for using existing methods for hyperparameter transfer. Our work initiates the development of hyperparameter transfer methods for this class of models. We derive explicit prescriptions for how the hyperparameters tuned on small models can be transferred to models trained at scale. We demonstrate excellent agreement between these theoretical findings and empirical results.
Authors: Matteo Cederle, Giacomo Scatto, Gian Antonio Susto
Abstract: Urban traffic congestion presents a significant challenge for modern cities, which impacts mobility and sustainability. Traditional traffic light control systems often fail to adapt to dynamic conditions, leading to inefficiencies. This paper proposes a novel deep reinforcement learning agent for traffic light control that addresses this limitation by explicitly integrating fairness considerations for both vehicular and pedestrian traffic. Unlike prior work, our approach dynamically balances these flows based on real-time demand, moving beyond systems focused solely on vehicles. Experimental results demonstrate that our agent effectively reduces congestion while ensuring equitable service for both the categories of road users. This research contributes to a practical and adaptable solution for intelligent traffic management within the framework of smart cities, paving the way for more efficient and inclusive urban mobility.
Authors: Mengzhou Gao, Kaiwei Wang, Pengfei Jiao
Abstract: Neural Flows efficiently model irregular multivariate time series by directly learning ODE solution trajectories with neural networks, bypassing step-by-step numerical solvers. Despite their efficiency, many existing approaches treat variables independently, leaving inter-variable interactions underexplored. Moreover, their one-step mapping makes interaction modeling inherently challenging, as it removes the iterative refinement of interactions during learning. To address this challenge, we propose one-step Graph-Structured Neural Flows (GSNF), which introduce two auxiliary-trajectory self-supervision strategies to strengthen interaction learning: (i) interaction-aware trajectory generation via re-initialization, which induces trajectory divergence to expose graph-induced interactions, with a theoretically derived lower bound on divergence; and (ii) reverse-time trajectory generation, which enforces forward-backward consistency to regularize graph learning, enabled by flow invertibility. Experiments on five real-world datasets show that GSNF achieves state-of-the-art classification performance with highly competitive training time and memory usage.
Authors: Jinping Wang, Qinhan Liu, Zhiwu Xie, Zhiqiang Gao
Abstract: Sharpness-Aware Minimization (SAM) improves generalization by minimizing the worst-case loss within a fixed parameter-space radius neighborhood. SAM and its variants mainly rely on a first-order linearized surrogate, while flat minima are inherently a second-order (curvature) notion.We revisit this mismatch and propose Loss-Equated SAM (LE-SAM), which inverts the traditional SAM mechanism that fixed perturbation radius with a fixed loss-space budget,effectively removing gradient-norm-dominated learning signals and shifting optimization toward curvature-dominated terms. Extensive experiments across diverse benchmarks and tasks demonstrate the strong generalization ability of LESAM that consistently outperforms SAM and even its variants, achieving the state-of-the-art performance.
Authors: Yulin Zhang, He Cao, Zihao Jiang, Chenyi Zi, Zhipeng Zhou, Zijing Liu, Yu Li, Jia Li, Ziqi Gao
Abstract: Designing proteins with desired functions or properties represents a core goal in synthetic biology and drug discovery. Recent advances in protein language models (PLMs) have enabled the generation of highly designable protein sequences, while preference alignment provides a promising way to steer designs toward desired functions and properties. Nevertheless, they often trigger catastrophic forgetting of pretrained knowledge, degrading basic designability and failing to balance multiple competing objectives. To address these issues, we draw inspiration from On-Policy Distillation (OPD), an advanced post-training method renowned for mitigating catastrophic forgetting through its mode-seeking nature. In this work, we propose ProteinOPD, a multi-objective preference alignment framework that can effectively balance multiple preference objectives while maintaining the inherent designability of PLMs. ProteinOPD adapts a pretrained PLM into preference-specific teachers and distills their knowledge into a shared student via token-level OPD on the student's own trajectories. During this process, the student is aligned to a unique normalized geometric consensus of weighted teachers while ensuring bounded optimization under conflicts. This bridges the gap for OPD in multi-objective/teacher alignment. Extensive experiments show that ProteinOPD achieves substantial gains on target preference objectives without compromising the designability, with an 8x training speedup over RL-based alignment competitors.
Authors: Shuzhang Zhong, Haochen Huang, Shengxuan Qiu, Pengfei Zuo, Runsheng Wang, Meng Li
Abstract: Tree-of-Thought (ToT) reasoning structures Large Language Model (LLM) inference as a tree-based search, demonstrating strong potential for solving complex mathematical and programming tasks. However, its efficiency is constrained by the reward dependency barrier -- a synchronization bottleneck caused by sequential reward-guided exploration that limits search parallelism and introduces substantial latency. Prior system optimizations, mainly designed for linear Chain-of-Thought (CoT) reasoning, cannot address these challenges, leaving the efficiency of ToT underexplored. To enhance ToT reasoning efficiency, we observe that the reasoning paths can be explored speculatively to break the reward synchronization barrier. Therefore, in this paper, we propose SPEX and introduce three key techniques: (i) intra-query speculative path selection to predict and expand high-potential branches of ToT, (ii) inter-query budget allocation to balance speculative resource allocation across queries dynamically, and (iii) adaptive early termination to prune deep and redundant branches for a skewed search tree. We implement SPEX on top of the SGLang framework and evaluate it across diverse ToT algorithms and LLMs. Extensive experiments show that SPEX achieves $1.2 \sim 3 \times$ speedup for different ToT reasoning algorithms. Moreover, SPEX synergizes with token-level speculative decoding, achieving cumulative speedups of up to $4.1\times$. Ablation studies further confirm the contributions of each technique. Overall, SPEX represents a significant step toward efficient and scalable ToT reasoning, unlocking the parallelism required for high-performance inference-time scaling for LLMs.
Authors: Andrea Rubbi, Arpit Merchant, Samuel Ogden, Amir Akbarnejad, Pietro Li\`o, Sattar Vakili, Mo Lotfollahi
Abstract: High-throughput gene perturbation experiments can test several genetic interventions in parallel, yet experimental budgets remain limited. A central goal is hit discovery: identifying as many perturbations as possible whose phenotypic effect exceeds a predefined threshold. Pure exploration strategies are statistically inefficient, wasting budget on low-value regions. Bayesian optimization methods offer a principled alternative but target a single global optimum, over-exploiting dominant modes while neglecting other high-value regions. We formalize hit discovery as a sequential experimental design problem and propose Probability-of-Hit, an acquisition function that directly targets threshold exceedance by ranking candidates according to their posterior probability of being a hit. We prove asymptotic optimality of this approach and demonstrate strong empirical performance on both synthetic benchmarks and real biological immunology datasets, including up to 6.4% improvement over baselines on the Schmidt IL-2 dataset.
Authors: Nicola Novello, Andrea M. Tonello
Abstract: Erasing specific concepts from text-to-image diffusion models is essential for avoiding the generation of copyrighted and explicit content. Closed-form concept erasure methods offer a fast alternative to backpropagation-based techniques, but they become less effective when scaling from smaller models such as Stable Diffusion 1.5 to larger models like Stable Diffusion XL. To maintain erasure effectiveness in these larger-scale architectures, we propose SParse cross-Attention-based Concept Erasure (SPACE). SPACE iteratively modifies the cross-attention parameters of a model with a closed-form update that jointly induces sparsity and erases target concepts. By concentrating the concept mapping to a lower-dimensional subspace, SPACE achieves superior erasure efficacy compared to dense baselines. Extensive experimental results show improvements in erasure effectiveness and robustness against adversarial prompts. Furthermore, SPACE achieves 80\%-90\% cross-attention sparsity, reducing the storage requirements for saving the modified parameters by 70\%, demonstrating its memory efficiency.
Authors: Tim Tomov, Dominik Fuchsgruber, Rajeev Verma, Stephan G\"unnemann
Abstract: LLM decoding often relies on the model's predictive distribution to generate an output. Consequently, misalignment with respect to the true generating distribution leads to suboptimal decisions in practice. While a natural solution is to calibrate the model's output distribution, for LLMs, this is ill-posed at the combinatorially vast level of free-form language. We address this by building on the insight that in many tasks, these free-form outputs can be interpreted in a semantically meaningful latent structure, for example, discrete class labels, integers, or sets. We introduce task calibration as a paradigm to calibrate the model's predictive distribution in the task-induced latent space. We apply a decision-theoretic result to show that Minimum Bayes Risk (MBR) decoding on the task-calibrated latent distribution is the optimal decoding strategy on latent model beliefs. Empirically, it consistently improves generation quality across different tasks and baselines. We also introduce Task Calibration Error (TCE), an application-aware calibration metric that quantifies the excess loss due to miscalibration. Our work demonstrates that task calibration enables more reliable model decisions across various tasks and applications.
Authors: Jiahuan Wang, Ping Luo, Ziqing Wen, Dongsheng Li, Tao Sun
Abstract: Decentralized stochastic gradient descent (D-SGD) is an efficient method for large-scale distributed learning. Existing generalization studies mainly address expected results, achieving rates limited to $\mathcal{O}\left(\frac{1}{\delta \sqrt{mn}}\right)$, where $\delta$ is the confidence parameter, $m$ the number of workers, and $n$ the sample size. When $m=1$, D-SGD reduces to traditional SGD, whose optimal high-probability generalization bound is $\mathcal{O}\left(\frac{1}{\sqrt{n}}\log (1/\delta)\right)$. This discrepancy reveals a gap between high-probability guarantees for SGD and those for D-SGD. To close this, we develop a high-probability learning theory for D-SGD, aiming for the optimal $\mathcal{O}\left(\frac{1}{\sqrt{mn}}\log (1/\delta)\right)$ rate. We refine bounds for D-SGD using pointwise uniform stability in distributed learning-a weaker notion than uniform stability-and analyze them across convex, strongly convex, and non-convex settings. We also provide high-probability results for gradient-based measures in non-convex cases where only local minima exist, and derive optimization error and excess risk bounds. Finally, accounting for communication overhead, we analyze generalization bounds for local models within time-varying frameworks.
Authors: Qingchuan Zhang, He Cao, Hao Li, Yanjun Shao, Zhiyuan Liu, Shihang Wang, Shufang Xie, Shenghua Gao, Xinwu Ye
Abstract: Molecular optimization seeks to improve a molecule through small structural edits while preserving similarity to the starting compound. Recent language-model approaches typically treat this task as prompt-conditioned sequence generation. However, relying on natural language introduces an inherent data-scaling bottleneck, often leads to chemical hallucinations, and ignores the strong context dependence of fragment effects. We present FORGE, a two-stage framework that reformulates molecular optimization as context-aware local editing. By utilizing automatically mined, verified low-to-high edit pairs instead of expensive human text annotations, Stage 1 ranks candidate fragments by their property contribution under the full molecular context to inject chemical prior, and Stage 2 generates explicit fragment replacements. Built on a compact 0.6B language model, FORGE further adapts to unseen black-box objectives through in-context demonstrations. Across Prompt-MolOpt, PMO-1k and ChemCoTBench, FORGE consistently outperforms prior methods, including substantially larger language models and graph methods. These results highlight the value of explicit fragment-level supervision as a more easily obtainable, scalable, and hallucination-less alternative to natural language training.
Authors: Michal Korniak, Miko{\l}aj Czarnecki, Yarden As, Piotr Mi{\l}o\'s, Pieter Abbeel, Michal Nauman
Abstract: Modern off-policy reinforcement learning algorithms often rely on simple uniform replay sampling and it remains unclear when and why non-uniform replay improves over this strong baseline. Across diverse RL settings, we show that the effectiveness of non-uniform replay is governed by three factors: replay volume, the number of replayed transitions per environment step; expected recency, how recent sampled transitions are; and the entropy of the replay sampling distribution. Our main contribution is clarifying when non-uniform replay is beneficial and providing practical guidance for replay design in modern off-policy RL. Namely, we find that non-uniform replay is most beneficial when replay volume is low, and that high-entropy sampling is important even at comparable expected recency. Motivated by these findings, we adopt a simple Truncated Geometric replay that biases sampling toward recent experience while preserving high entropy and incurring negligible computational overhead. Across large-scale parallel simulation, single-task, and multi-task settings, including three modern algorithms evaluated on five RL benchmark suites, this replay sampling strategy improves sample efficiency in low-volume regimes while remaining competitive when replay volume is high.
Authors: Elisabetta Cornacchia, Dan Mikulincer, Elchanan Mossel
Abstract: We study how temporal correlations in the data can make certain sparse learning problems efficiently learnable by gradient-based methods. Our focus is on Boolean k-juntas, a canonical sparse learning problem known to pose barriers for gradient-based methods under independent uniform samples. We show that this picture changes when the samples are generated by a lazy random walk on the hypercube. In this setting, the temporal dependencies can be exploited by a two-layer ReLU network trained using stylized-SGD with a temporal-difference loss, which compares target and predicted increments across consecutive samples. For every fixed k, the resulting sample complexity is essentially linear in the ambient dimension d. By contrast, we show that for large-batch gradient methods using standard convex pointwise losses, temporal correlations do not provide the same advantage.
Authors: Wei Huang, Hezhe Qiao, Kailai Zhang, Zaisheng Ye, Yu-Ming Shang, Xiangling Fu
Abstract: Unsupervised tabular anomaly detection methods typically learn feature patterns from normal samples during training and subsequently identify samples that deviate from these patterns as anomalies during testing. However, in practical scenarios, the limited scale and diversity of training data often lead to an incomplete characterization of normal patterns. While test-time adaptation offers a remedy, its isolated focus on test-time optimization ignores the critical synergy with training-phase learning. Furthermore, indiscriminate adaptation to unlabeled test data inevitably triggers anomaly contamination, preventing the model from fully realizing its discriminative capability between normal and anomalous samples. To address these issues, we propose RTTAD, a Risk-aware Test-time adaptation method for unsupervised Tabular Anomaly Detection. RTTAD holistically tackles normality shifts via a synergistic two-stage mechanism. During training, collaborative dual-task learning captures multi-level representations to establish a robust normal prior. During testing, a Test-Time Contrastive Learning (TTCL) module explicitly accounts for adaptation risk by selectively updating the model using high-confidence pseudo-normal samples while constraining anomalous ones. Additionally, TTCL incorporates a k-nearest neighbor-based contrastive objective to refine embedding distributions, thereby further enhancing the model's discriminative capacity. Extensive experiments on 15 tabular datasets demonstrate that RTTAD achieves state-of-the-art overall detection performance.
Authors: Dario Vajda
Abstract: Using Large Language Models (LLMs) to process graph-structured data is an active research area, yet current state-of-the-art approaches typically rely on multi-step pipelines with Graph Neural Network (GNN) encoders that compress rich textual attributes into solitary tokens, creating a significant semantic bottleneck. In this paper, we introduce the Graph Transformer Language Model (GTLM), a novel architecture that enables pretrained LLMs to natively process graph topologies while entirely eliminating this compressive bottleneck. GTLM is exceptionally parameter-efficient: by injecting graph-aware attention biases directly into the LLM's attention modules, it introduces only 0.015% additional parameters relative to the base model. We theoretically prove that our bidirectional attention prefix preserves node permutation equivariance while maintaining exact backward compatibility with the pretrained base model. Extensive evaluations demonstrate that a 1B-parameter GTLM matches or exceeds the performance of 7B-parameter state-of-the-art models on standard Text-Attributed Graph benchmarks, while significantly surpassing baselines on GraphQA. Finally, we demonstrate that GTLM attention heads implicitly learn to simulate message passing, explaining its superior performance on algorithmic tasks. This paradigm shift enables true algorithmic reasoning within LLMs and provides a scalable foundation for next-generation GraphRAG and relational deep learning.
Authors: Haaris Mehmood, Jie Xu, Karthikeyan Saravanan, Rogier Van Dalen, Mete Ozay
Abstract: Federated learning (FL) enables the collaborative training of large-scale language models (LLMs) across edge devices while keeping user data on-device. However, FL still exposes sensitive information through client-provided gradients. Differentially private stochastic gradient descent (DP-SGD) mitigates this risk by clipping each client's contribution to a threshold $C$ and adding noise proportional to $C$. Existing adaptive clipping techniques dynamically adjust $C$ but demand tedious hyperparameter tuning, which can erode the privacy budget. In this paper, we introduce DP-LAC, a method that first estimates an initial clipping threshold within an order of magnitude of the optimum using private histogram estimation, and then adapts this threshold during training without consuming additional privacy budget or introducing new hyperparameters. Empirical results show that DP-LAC outperforms both state-of-the-art adaptive clipping methods and vanilla DP-SGD, achieving an average accuracy gain of $6.6\%$.
Authors: Koichi Taniguchi, Sho Sonoda
Abstract: Operator learning for partial differential equations (PDEs) aims to learn solution operators on infinite-dimensional function spaces from finite-resolution data. In this setting, it is important for the learned model to be discretization-invariant, or resolution-robust, and to reflect PDE-specific structure. It is therefore natural to ask how such structure should be encoded in the model architecture, hypothesis class, or learning procedure. In this paper, we study operator learning for solution operators of nonlinear parabolic PDEs based on Duhamel--Picard iteration. We formulate Picard iteration as an abstract state-transition model and present a theoretical framework for Picard-type operator learning. We derive implementation-agnostic generalization error bounds that separate the implementation error from the estimation error associated with the abstract state-transition model induced by Picard iteration. A key consequence is that increasing the Picard depth reduces the Picard truncation error without causing an unbounded growth of the entropy-based estimation error. We also extend the analysis to long-time prediction by rolling out the same learned local model over successive time blocks. Finally, we illustrate the theory for nonlinear heat equations on the torus using a Picard-type Fourier neural operator as a concrete implementation.
Authors: Prajwal Ghimire, Junjie Li, Liu Yaou, Marc Modat, Thomas Booth
Abstract: Background: Radiogenomics allows identification of radiological biomarkers for genomic phenotypes. In glioblastoma, these biomarkers could potentially complement patient stratification strategies. We aim to develop and analytically validate radiological biomarkers that capture immune cell signatures within IDH-wildtype glioblastoma microenvironment using radiogenomic analysis. Methods: This was a retrospective multicenter study using curated open-access anonymized imaging and genomic data from TCGA-GBM, CPTAC, IvyGAP, REMBRANDT and CGGA datasets. Imaging data consisted of MRI-based radiomic features extracted from necrotic core, enhancing and edema regions of deep learning-based auto-segmented tumors. Radiomic feature selections were performed using nested cross-validated LASSO. Support vector machine and ensemble models were trained using seventeen immune and cell-specific score labels extracted from deconvoluted transcriptomic data using pan-cancer and glioblastoma immune signature matrices as reference standards. Seventeen classifier models trained in three cross-cohort strategies were validated on three held-out datasets assessing stability and generalizability. Results: One-hundred-and-seventy-six patients were included in the study. The immune-related radiomic signatures obtained after feature selection were shape, first order and higher order radiomic features. Models predicting macrophage subtype immune signature showed stable mean performance on balanced accuracy (0.67) and precision (0.89) metrics for three independent holdout datasets with ensemble model outperforming support vector machine model. Conclusion: Radiogenomic models non-invasively predicted the macrophage subtype M0 immune signature in IDH-wildtype glioblastoma. These biomarkers have the potential to stratify patients for immunotherapy within prospective glioblastoma clinical trials.
Authors: Robin Manhaeve, Stefano Colamonaco, Vincent Derkinderen, Rik Adriaensen, Lucas Van Praet, Luc De Raedt, Giuseppe Marra
Abstract: DeepLog is an operational neurosymbolic framework that unifies logic and deep learning within standard PyTorch workflows. While existing neurosymbolic systems focus on a particular paradigm and semantics, DeepLog serves as a universal backend that can emulate many systems in the neurosymbolic alphabet soup. By treating diverse neurosymbolic languages as high-level specifications, the DeepLog software automatically compiles them into optimized arithmetic circuits. This design lowers the barrier for machine learning practitioners by treating logic as composable modules, while providing neurosymbolic developers with a shared, high-performance basis for prototyping new integration strategies. The code is available here: https://github.com/ML-KULeuven/deeplog
Authors: Hengrui Zhang, Boao Kong, Engao Zhang, Kun Yuan
Abstract: Stochastic bilevel optimization (SBO) has become a standard framework for hyperparameter learning, data reweighting, representation learning, and data-mixture optimization in deep learning. Existing exact single-loop SBO methods and memory-efficient surrogate SBO methods either create severe memory pressure for large lower-level neural networks or lack competitive convergence guarantees under standard assumptions. In this paper, we propose BROS, a memory-efficient single-loop SBO method with the same convergence rate order as exact single-loop SBO methods. BROS performs lower and auxiliary updates in randomized subspaces with a Rademacher bi-probe correction that recovers an unbiased Hessian-action estimator. We prove that BROS preserves the $\mathcal O(\varepsilon^{-2})$ sample complexity of MA-SOBA for finding an $\varepsilon$-stationary point under only standard assumptions. Experiments on hyper-data cleaning, data-mixture learning, hyper-representation learning, and ViT sample reweighting show that BROS reduces peak memory by up to 44.9% while closely matching full-space baseline performance.
Authors: Bochao Li, Yao Fu, Wei Chen, Fang Kong
Abstract: Offline-to-online learning aims to improve online decision-making by leveraging offline logged data. A central challenge in this setting is the distribution shift between offline and online environments. While some existing works attempt to leverage shifted offline data, they largely rely on UCB-type algorithms. Thompson sampling (TS) represents another canonical class of bandit algorithms, well known for its strong empirical performance and naturally suited to offline-to-online learning through its Bayesian formulation. However, unlike UCB indices, posterior samples in TS are not guaranteed to be optimistic with respect to the true arm means. This makes indices constructed from purely online and hybrid data difficult to compare and complicates their use. To address this issue, we propose sample-mean anchored TS (Anchor-TS), which introduces a novel median-based anchoring rule that defines the arm index as the median of an online posterior sample, a hybrid posterior sample, and the online sample mean. The median anchoring systematically corrects bias induced by distribution shift by mitigating over-estimation for suboptimal arms and under-estimation for optimal arms, while exploiting offline information to obtain more accurate estimates when the shift is small. We establish theoretical guarantees showing that the proposed algorithm safely leverages offline data to accelerate online learning, and quantifying how the degree of distribution shift and the size of offline data affect the resulting regret reduction. Extensive experiments demonstrate consistent improvements of our algorithm over baselines.
Authors: Sheng Pan, Ming Jin, Bo Du, Shirui Pan
Abstract: Time series forecasting serves as an essential tool for many real-world applications, supporting tasks such as resource optimization and decision-making. Despite significant architectural advancements, most modern models still treat forecasting task as a fixed mapping from history to target horizons. This induces temporal decoupling across future time points and limits the model's ability to adapt to the evolving context as forecasting progresses. In this work, we present LeapTS, a novel framework that reformulates time series forecasting as a dynamic scheduling process over the prediction horizon. Specifically, LeapTS organizes the forecasting process into multi-level decisions using: (1) the hierarchical controller to dynamically select the optimal prediction scale and advancement length at each step, and (2) continuous-time state evolution driven by neural controlled differential equations. Within this process, the controlled update mechanism explicitly couples the irregular temporal dynamics with discrete scheduling feedback. Extensive evaluations on both real-world and synthetic datasets demonstrate that LeapTS improves overall forecasting performance by at least 7.4% while achieving a 2.6$\times$ to 5.3$\times$ inference speedup over representative Transformer-based models. Furthermore, by explicitly tracing the scheduling trajectories, we reveal how the model autonomously adapts its forecasting behavior to capture non-stationary dynamics.
Authors: Maris F. L. Galesloot, Thomas Rhemrev, Nils Jansen
Abstract: In offline reinforcement learning (RL), we learn policies from fixed datasets without environment interaction. The major challenges are to provide guarantees on the (1) performance and (2) safety of the resulting policy. A technique called safe policy improvement (SPI) provides a performance guarantee: with high probability, the new policy outperforms a given baseline policy, which is assumed to be safe. Orthogonally, in the context of safe RL, a shield provides a safety guarantee by restricting the action space to those actions that are provably safe with respect to a given safety-relevant model. We integrate these paradigms by extending shielding to offline RL, relying solely on the available dataset and knowledge of safe and unsafe states. Then, we shield the policy improvement steps, guaranteeing, with high probability, a safe policy. Experimental results demonstrate that shielded SPI outperforms its unshielded counterpart, improving both average and worst-case performance, particularly in low-data regimes.
Authors: Yuchen Bai, Georgios Athanasiou, Xin Yu, Diogenis Antonopoulos, Ioannis Papoutsis, Stijn Hantson, Nuno Carvalhais
Abstract: Accurate next-day active fire forecasts can support early warning, disaster response, forest risk assessment, and downstream estimation of fire-related carbon emissions. Existing machine learning approaches to wildfire forecasting typically predict wildfire danger or fire probability on kilometre-scale daily grids, which is useful for regional warning but does not directly represent localized fire events. We propose Wildfire Ignition Set Predictor (WISP), a query-based model that reformulates next-day active fire forecasting as point-set prediction. From 48 hours of covariates including meteorology, satellite vegetation products, static land, and fire history, WISP predicts a fixed-size ranked set of future active fire cluster centres on a 375 m grid across globally distributed regions. The model is trained end-to-end with Hungarian matching; to address the conflicting roles of the classification score in assignment, ranking, and query activation, we use asymmetric classification-localization weighting in matching and loss. We further construct a globally distributed, hourly, multi-source benchmark for this task. On a held-out test set spanning fire regions worldwide, the best WISP variant achieves 38.2% average precision (AP) for ranked fire-centre detections, covers 53.4% of fire cluster mass weighted by fire radiative power (FRP), and localizes 54.1% of observed clusters within 5 km. These results establish sparse set prediction as a viable formulation for high-resolution wildfire forecasting and provide a benchmark for future work in this regime.
Authors: Shogo Iwazaki
Abstract: This paper studies kernelized bandits (also known as Gaussian process bandits) in an adversarial environment, where the reward functions in a known reproducing kernel Hilbert space (RKHS) may be adversarially chosen at each round. We show that the exponential-weight algorithm achieves $\tilde{O}(\sqrt{T \gamma_T})$ adversarial regret, where $T$ and $\gamma_T$ denote the number of total rounds and the maximum information gain, respectively. For squared exponential (SE) and $\nu$-Mat\'ern kernels, we also show algorithm-independent lower bounds that guarantee the optimality of our algorithm up to polylogarithmic factors. Furthermore, we present a computationally efficient variant of our algorithm using Nystr\"om approximation while maintaining nearly optimal regret guarantees.
Authors: Pedro M. P. Curvo, Maksim Zhdanov, Floor Eijkelboom, Jan-Willem van de Meent
Abstract: Existing approaches to controllable generation typically rely on fine-tuning, auxiliary networks, or test-time search. We show that flow matching admits a different control interface: adaptation through examples. For deterministic interpolants, the velocity field is solely governed by a conditional endpoint mean; shifting this mean shifts the flow itself. This yields a simple principle for controllable generation: steer a pretrained model by changing the reference set it follows. We instantiate this idea in two forms. Reference-Mean Guidance is training-free: it computes a closed-form endpoint-mean correction from a reference bank and applies it to a frozen FLUX.2-klein (4B) model, enabling control of color, identity, style, and structure while keeping the prompt, seed, and weights fixed. Semi-Parametric Guidance amortizes the same idea through an explicit mean anchor and learned residual refiner, matching unconditional DiT-B/4 quality on AFHQv2 while allowing the reference set to be swapped at inference time. These results point to a broader direction: generative models that adapt through data, not parameter updates.
Authors: Xin Guo, Grace He, Xinyu Li
Abstract: We study contextual bandits with nonlinear and path-dependent rewards through a novel signature-transform-based approach. Leveraging the universal nonlinearity property of signatures, we approximate continuous path-dependent reward functionals by linear functionals in the signature space. This representation enables the use of efficient linear contextual bandit methods while preserving expressive sequential structure. Building on this framework, we propose \texttt{DisSigUCB}, a signature-based disjoint upper confidence bound (UCB) algorithm. Under boundedness and non-degeneracy assumptions, we prove a high-probability data-dependent sublinear regret bound of order \(\tilde{\mathcal O}(\sqrt{(d+m)KT})\) where \(d\) is the context dimension and \(m\) is the signature feature dimension. Synthetic experiments and numerical applications on temperature sensor monitoring, sleep-stage classification, and hospital nurse staffing demonstrate that \texttt{DisSigUCB} consistently outperforms classical linear and kernelized contextual bandit baselines in nonlinear and path-dependent settings.
Authors: Zheyu Zhang, Shuo Yang, Bardh Prenkaj, Gjergji Kasneci
Abstract: Generative tabular augmentation is appealing in data-scarce domains, yet the prevailing focus on distributional fidelity does not reliably translate into better downstream models. We formalize a fidelity-utility gap: common generative objectives prioritize distributional plausibility, whereas augmentation succeeds only when injected samples reduce the current learner's held-out evaluation loss. This gap motivates learning not just how to generate, but what to generate and when to inject as training evolves. We propose TAP (Tabular Augmentation Policy), which couples diffusion inpainting with a lightweight, learner-conditioned policy to steer generation toward high-utility regions and controls safe injection via explicit gating and conservative windowed commitment. Under severe data scarcity, TAP consistently outperforms strong generative baselines on seven real-world datasets, improving classification accuracy by up to 15.6 percentage points and reducing regression RMSE by up to 32%.
Authors: Sayan Kumar Chaki
Abstract: Knowledge graph embedding (KGE) models typically represent each relation as an operator on entity embeddings. In this work, we identify three structural axioms that any principled relation operator must satisfy, linearity, trace preservation, and complete positivity, and show that they characterize a Kraus channel structure via the Kraus representation theorem. The completeness constraint defining this family is equivalent to these axioms, providing a principled foundation rather than an externally imposed condition. Under this formulation, most existing operator-based KGE models are recoverable as special cases with Kraus rank $\kappa = 1$ under specific embedding choices. We further generalize this characterization to arbitrary metric geometries by introducing \mbox{w-Kraus} channels, which satisfy completeness by construction within their respective spaces. Building on this theory, we propose \textsc{KrausKGE}, a principled KGE model that naturally handles $1$-to-$N$ and $N$-to-$N$ relations, supports $k$-hop reasoning without requiring explicit path encoders, and eliminates the need for norm constraints on entity embeddings. Additionally, our framework yields the first theoretically grounded per-relation complexity measure in the KGE literature, with a provable lower bound in terms of the empirical relation matrix rank. Empirical evaluation demonstrates that \textsc{KrausKGE} consistently outperforms strong baselines on $N$-to-$N$ relations, with performance gains that increase monotonically with relation fan-out, in alignment with theoretical predictions.
Authors: Yao Lu, Dengdong Fan, Shixun Zhang, Yonghong Tian
Abstract: Adaptive optimizers, most notably Adam, have become the default standard for training large-scale neural networks such as Transformers. These methods maintain running estimates of gradient first and second moments, incurring substantial memory overhead. We introduce PowerStep, a memory-efficient optimizer that achieves coordinate-wise adaptivity without storing second-moment statistics. Motivated by steepest descent under an $\ell_p$-norm geometry, we show that applying a nonlinear transform directly to a momentum buffer yields coordinate-wise adaptivity. We prove that PowerStep converges at the optimal $O(1/\sqrt{T})$ rate for non-convex stochastic optimization. Extensive experiments on Transformer models ranging from 124M to 235B parameters demonstrate that PowerStep matches Adam's convergence speed while halving optimizer memory. Furthermore, when combined with aggressive \texttt{int8} quantization, PowerStep remains numerically stable and reduces optimizer memory by $\sim\!8\times$ compared to full-precision Adam. PowerStep thus provides a principled, scalable and resource-efficient alternative for large-scale training. Code is available at https://github.com/yaolubrain/PowerStep.
Authors: Jiayi Huang
Abstract: Reliable inference requires that artificial intelligence (AI) models provide trustworthy uncertainty estimates, not merely accurate predictions. Recent advances in Bayesian learning have made significant progress toward this goal, and growing concerns about computational overhead have jointly shifted the design criterion from reliability alone to the co-design of reliability and efficiency, i.e., reducing computational overhead while preserving trustworthy uncertainty quantification. This thesis develops a unified framework from two perspectives to address the central question: can we efficiently perform reliable inference?
Authors: Yang Yang, Du Yin, Hao Xue, Flora Salim
Abstract: Modeling uncertainty in heavy-tailed time series remains a critical challenge for deep probabilistic forecasting models, which often struggle to capture abrupt, extreme events. While L\'evy stable distributions offer a natural framework for modeling such non-Gaussian behaviors, the intractability of their probability density functions severely limits conventional likelihood-based inference. To address this, we introduce DeepL\'evy, a neural framework that learns mixtures of L\'evy stable distributions by minimizing the discrepancy between empirical and parametric characteristic functions. DeepL\'evy incorporates a mixture mechanism that adaptively learns context-dependent weights and parameters over multiple L\'evy components, enabling flexible multi-horizon uncertainty modeling. Evaluations on both real and synthetic datasets demonstrate that DeepL\'evy outperforms state-of-the-art deep probabilistic forecasting approaches in tail risk metrics, especially under extreme volatility.
Authors: Ahmet Onur Akman, Rafa{\l} Kucharski
Abstract: Cooperative multi-agent reinforcement learning often assumes a fixed execution team, yet many decentralized systems must operate with varying numbers of active agents during deployment. We study this setting under episodic roster variation: each episode is executed by a set of homogeneous agents, with the team size varying across episodes. Agents act only from local histories, without execution-time communication, privileged coordinators, or online retraining. Therefore, effective cooperation requires each agent to recover relevant context about the active team and adapt its behavior accordingly. To this end, we propose PC3D (Personalized Central Coordination Context Distillation), a method for training decentralized policies to recover and use personalized coordination context from local interaction histories. During training, a set-structured centralized teacher compresses the active team into coordination tokens and personalizes them into agent-specific contexts, which are distilled into decentralized policies. At execution, each agent predicts its own context from local history and adaptively uses it to condition decision-making. Across three cooperative MARL benchmarks, PC3D achieves higher returns than the evaluated baselines with both seen and unseen roster sizes, and ablations attribute these gains to both context distillation and adaptive context use.
Authors: Marco S\"alzer, Pascal Bergstr\"a{\ss}er, Anthony W. Lin
Abstract: The counting power of Message Passing Neural Networks (MPNN) has been the subject of many recent papers, showing that they can express logic that involves counting up to a threshold or more generally satisfy a linear arithmetic constraint. In this paper, we study the counting capabilities of MPNN beyond linear arithmetic, primarily utilising local and global mean aggregations. In particular, our goal is to tease out conditions required to express extensions of graded modal logic with polynomial counting constraints. We show that global polynomial counting constraints in node-labelled graphs can be checked using mean MPNN under mild assumptions. Checking local constraints is also possible, if we consider formulas with no nested modalities and additionally either (i) permit sum/max aggregations, or (ii) only restrict to regular graphs. We also show how formulas with nested modalities can be captured by mean MPNN over graphs with tree-like structures and similar assumptions.
Authors: Hector Woods, Philippa Ryan, Rob Alexander
Abstract: Neural networks have proved an effective means of learning control policies for autonomous systems, but these learned policies are difficult to understand due to the black-box nature of neural networks. This lack of interpretability makes safety assurance for such autonomous systems challenging. The fields of eXplainable Artificial Intelligence (XAI) and eXplainable Reinforcement Learning (XRL) aim to interpret the decision making processes of neural networks and autonomous agents, respectively. In particular, work on causal explanations aims to provide "why" and "why not" explanations for why a model made a given decision. However, most of the work on explainability to date utilises a distilled version of the original model. While this distilled policy is interpretable, it necessarily degrades in performance significantly when compared to the original model, and is not guaranteed to be an accurate reflection of the decision making processes in the original model and as such cannot be used to guarantee its safety. Recent work on understanding the geometry of ReLU neural networks shows that a ReLU network corresponds to a piecewise linear function divided into regions defined by an n-dimensional convex polytope. Through this lens, a neural network can be understood as dividing the input space into distinct regions which apply a single linear function for each output neuron. We show that this geometric representation can be used to generate causal explanations for the network's behaviour similar to previous work, but which extracts rules directly from the geometry of Neural Networks with the ReLU activation function, and is therefore an accurate reflection of the network's behaviour.
Authors: Elad Tolochinsky, Yaniv Tenzer, Yaniv Romano
Abstract: Selecting the best large language model (LLM) for a fixed benchmark is often expensive, since exhaustive evaluation requires running every model on every example. Multi-armed bandit (MAB) algorithms can reduce the number of LLM calls by sequentially selecting the next model-example pair to evaluate, thereby avoiding wasted evaluations on clearly underperforming models. Further savings can be achieved by predicting model scores from the partially observed model-example score matrix using low-rank factorization. However, such predictions are not ground truth: they can be biased and may therefore lead to incorrect identification of the best model. In this work, we propose a principled framework that combines MAB with cheap predicted scores without compromising statistical validity. Specifically, we derive doubly robust estimators of each model's performance that use the low-rank predictions to reduce variance. This enables the construction of valid finite-sample confidence intervals in our setting, where models are selected adaptively and examples are sampled without replacement. Empirical results on real-world benchmarks show that our approach reduces the number of required evaluations, yielding meaningful savings in compute and cost while accurately identifying the best-performing model.
Authors: Wenhua Nie, ZiCheng Zhu, Jianan Wu, Binhan Luo, Haoran Zheng, Jyh-Shing Roger Jang
Abstract: Modern LLM APIs often reveal only top-$K$ logit scores and censor the remaining vocabulary. We study the per-position distribution-recovery limits of this access model. For censoring threshold $\tau$, the compatible teacher distributions form an identified set whose total-variation diameter is exactly $U_K=(V-K)\exp(\tau)/(Z_A+(V-K)\exp(\tau))$, where $Z_A$ is the observed partition function. For KL recovery, we give a computable binary-endpoint lower bound and an asymptotically matching small-ambiguity upper bound, with an extension to reference-aware attackers. Experiments on a Qwen3 math-reasoning teacher reveal a layered extraction hierarchy: on-task top-$K$ distillation recovers 12% of private capability, full-logit distillation recovers 56% despite 99% KL closure, and generation-based extraction recovers 96%. Top-$K$ censoring therefore limits per-position distribution recovery but does not by itself prevent capability extraction, separating fidelity from transfer in prompt-only logit distillation.
Authors: Wenhua Nie, Binhan Luo, Zijie Meng, Jyh-Shing Roger Jang, Ching-Wen Ma
Abstract: Large language models can score well on named game-theory benchmarks while failing on the same strategic computation once semantic cues are removed. We show this gap with procedurally generated zero-sum matrix games: a model that recognizes familiar games drops to 34%, 18%, and 2% success on anonymous $2{\times}2$, $3{\times}3$, and $5{\times}5$ payoff matrices. The benchmark separates semantic recall, learned approximate Nash computation, and an output-interface bottleneck that limits scale. Training only on $2{\times}2$ and $3{\times}3$ games, supervised fine-tuning raises unseen $5{\times}5$--$7{\times}7$ success from 2% to 61%, while exploitability-reward training averages 37% with high seed variance. We prove that the exploitability residual is $2$-Lipschitz in payoff perturbations, unlike discontinuous vertex-returning LP equilibrium selectors, explaining why residual training can transfer under payoff shifts even when formatting instability limits mean performance. A dominated-action padding experiment provides causal evidence: trained models solve $3{\times}3$ games embedded in much larger matrices, while random-padded controls fail and dense $12{\times}12$ games remain near failure. Procedural evaluation is therefore necessary for measuring strategic reasoning, and residual rewards expose a real but format-limited route to approximate equilibrium computation.
Authors: Riccardo Ali, Alessio Borgi, Christopher Irwin, Mario Severino, Pietro Li\`o
Abstract: Rotary Positional Encoding (RoPE) is widely used in modern large language models. However, when sequences are extended beyond the range seen during training, rotary phases can enter out-of-distribution regimes, leading to spurious long-range alignments, diffuse attention, and degraded retrieval. Existing remedies only partially address these failures, as they often trade local positional resolution for long-context stability. We propose GAPE (Gated Adaptive Positional Encoding), a drop-in augmentation for positional encodings that introduces a content-aware bias directly into the attention logits while preserving the rotary geometry. GAPE decouples distance-based suppression from token importance through a query-dependent gate that contracts irrelevant context and a key-dependent gate that preserves salient distant tokens. We prove that protected tokens remain accessible, while the attention mass assigned to unprotected distant tokens decays as a function of the query gate. We further show that GAPE can be implemented within standard scaled dot-product attention. We validate these properties empirically, finding that GAPE consistently yields sharper attention and improved long-context robustness over rotary baselines across both synthetic retrieval and long-context benchmarks.
Authors: George Panagopoulos
Abstract: Estimating heterogeneous treatment effects with machine learning has attracted substantial attention in both academic research and industrial practice. However, the two communities often evaluate models under markedly different conditions. Methodological work typically relies on semi-simulated benchmarks and metrics that require counterfactual outcomes, whereas real-world applications rely on observable metrics based on ranking or test outcomes. Despite the well-known gap between methodological progress and practical deployment, the relationship between these evaluation regimes has not been examined systematically. We conduct a large-scale empirical study of treatment effect evaluation across standard semi-simulated benchmark families and real-world datasets. Our benchmark covers meta-learners paired with multiple base learners, as well as specialized causal machine learning models. We evaluate these methods using observable metrics common in application-oriented literature, alongside counterfactual metrics commonly used in methods papers. Our results reveal two complementary gaps. First, counterfactual metrics do not reliably recover the estimators preferred by observable metrics, even on the same semi-simulated benchmarks. Second, rankings obtained on semi-simulated benchmarks do not transfer to real datasets. We further find that simple meta-learners with strong base models are consistently competitive, in contrast to specialized causal models. Overall, our findings suggest that progress in treatment effect estimation research should not be assessed solely through counterfactual metrics and semi-simulated benchmarks, but it would benefit from incorporating observable metrics and real-data validation.
Authors: Xiang Chen, Alexander Binder
Abstract: Current 3D tokenizers largely treat representation as spatial compression: compact codes reconstruct surface geometry, but leave component ownership and attachment validity implicit. In open-world assets with intersecting components, noisy topology, and weak canonical structure, this creates a representation mismatch: local shape, component identity, and assembly relations become entangled in a latent stream and are not natively addressable during decoding. We formulate an alternative view, interface-centric generative states, in which tokenization constructs an operational state rather than a passive compressed code. The state exposes local geometry, component ownership, and attachment validity as variables that can be queried, constrained, and repaired during decoding. We instantiate this formulation with Component-Conditioned Canonical Local Tokens (C2LT-3D), factorizing representation into canonical local geometry, partition-conditioned context, and relational seam variables. Each factor targets a distinct failure mode of compression-centric tokens: pose leakage, cross-component interference, or invalid local attachment. This exposed state supports attachment validation, latent structural repair, targeted intervention, and constrained serialization without a separate post-hoc structure recovery module. Trained on single-object CAD models and evaluated zero-shot on open-world multi-component assets, C2LT-3D improves structural robustness and shows that its latent variables remain actionable under adversarial attachment settings. These results suggest that open-world 3D generative representations should be evaluated not only by reconstruction fidelity, but by whether their discrete states remain operational for assembly-level structural reasoning.
Authors: Xuxiang Zhao, Angelica I. Aviles-Rivero
Abstract: Spectral neural operators achieve strong performance for PDE learning, but rely on fixed global bases that limit their ability to represent spatially heterogeneous and multiscale dynamics. We propose Adaptive Basis Learning (ABLE), a framework that learns data-dependent spectral representations instead of relying on predefined bases. ABLE constructs a spatially adaptive Parseval frame via a learned ancillary density, enabling the operator to act in a lifted spectral space while preserving invertibility and maintaining $O(N\log N)$ complexity through FFT-based implementation. This shifts the source of expressivity from spectral coefficients to the representation itself, allowing the model to capture localized structures and non-translation-invariant interactions more efficiently. ABLE integrates seamlessly into existing neural operator architectures as a drop-in replacement for spectral layers. Across a range of benchmarks ABLE improves accuracy over strong baselines, with the largest gains in regimes characterized by sharp gradients and multiscale behavior. Moreover, augmenting existing models (e.g., U-FNO, HPM) with ABLE further enhances their performance, demonstrating its role as a general and complementary spectral refinement. Our results highlight that the data-driven choice of representation, rather than operator complexity alone, is a key bottleneck in neural operator design. By learning the basis itself, ABLE provides a principled and efficient framework for improving spectral methods in PDE learning.
Authors: Anton Plaksin, Sergei Krutikov, Sergei Skvortsov, Alexander Samarin
Abstract: Speculative decoding speeds up autoregressive generation in Large Language Models (LLMs) through a two-step procedure, where a lightweight draft model proposes tokens which the target model then verifies in a single forward pass. Although the drafter network is small in modern architectures, its LM-head still performs projection to a large vocabulary, becoming one of the major computational bottlenecks. In prior work this issue has been predominantly addressed via static or dynamic vocabulary truncation. Yet mitigating the bottleneck, these methods bring in extra complexity, such as special vocabulary curation, sophisticated inference-time logic or modifications of the training setup. In this paper, we propose SlimSpec, a low-rank parameterization of the drafter's LM-head that compresses the inner representation rather than the output, preserving full vocabulary support. We evaluate our method with EAGLE-3 drafter across three target models and diverse benchmarks in both latency- and throughput-bound inference regimes. SlimSpec achieves $4\text{-}5\times$ acceleration over the standard LM-head architecture while maintaining a competitive acceptance length, surpassing existing methods by up to $8\text{-}9\%$ of the end-to-end speedup. Our method requires minimal adjustments of training and inference pipelines. Combined with the aforementioned speedup improvements, it makes SlimSpec a strong alternative across wide variety of draft LM-head architectures.
Authors: Sensen Wu, Yifan Chen, Guantao Pu, Xiaoyao Sun, Yijun Chen, Jin Qi, Ming Kong, Keyi Yang, Lichen Xu, Wenguan Wang, Xiaofeng Li, Zhenhong Du
Abstract: Short-term ocean forecast skill depends strongly on the three-dimensional ocean structure of the upper ocean, which governs stratification, subsurface heat storage, and the response of the ocean to atmospheric forcing. However, AI ocean forecasting models often fail to preserve this vertical structure, resulting in over-smoothed subsurface features and weak physical consistency under strong forcing. Here, we present AxiomOcean, a global AI ocean forecasting model that explicitly represents vertical hierarchy and cross-layer dependence within the water column. By combining a fully three-dimensional encoder-backbone-decoder architecture with surface atmospheric forcing, AxiomOcean jointly predicts upper-ocean temperature, salinity, and three-dimensional currents at global 1/12{\deg} resolution down to 643 m depth. In 10-day forecasts, AxiomOcean outperforms an advanced AI comparison model across variables and lead times, reducing day-1 RMSE by approximately 20 to 35% while maintaining higher anomaly correlation. The gain is not achieved through excessive smoothing: AxiomOcean better preserves eddy kinetic energy, temperature and salinity variance. Its advantage also extends through the water column and remains evident across the equatorial Pacific, Kuroshio Extension, and Southern Ocean, yielding a more realistic reconstruction of upper-ocean heat content. These results show that explicitly preserving upper-ocean three-dimensional structure can improve both forecast accuracy and physical fidelity in AI ocean prediction.
Authors: Pablo Mart\'inez Crespo, Stefano Ribes, Martin Rahm, Richard Beckmann, Robert S. Jordan, Marisa Gliege, Santiago Miret, Vijay Kris Narasimhan, Roc\'io Mercado
Abstract: Atomic properties such as partial charges or multipoles encode chemically meaningful information that can inform downstream molecular property prediction, but their evaluation as machine learning targets has been complicated by the absence of a principled out-of-distribution evaluation protocol at the atomic level. In this work, we propose a held-out evaluation protocol that clusters atomic environments by SOAP descriptors and computes metrics accounting only for cluster labels unseen during training. Following this procedure, we use 5$\times$5 cross-validation and Tukey's HSD to run a statistically rigorous comparison of E(3)-equivariant against non-equivariant, rotationally augmented models for predicting electron populations and multipoles of H, C, N, and O atoms. Building on our results, we introduce the Quantum Topological Neural Network (QT-Net), a rotationally augmented, non-equivariant graph neural network. We show that QT-Net can be used to infer properties of atoms in molecules from QM9 outside our training set, and that these inferred properties can yield improvement when used as input features for downstream molecular property prediction. To further validate the framework, molecular dipole moments computed from QT-Net's per-atom outputs recover the ground-truth values reported in QM9. We release all code and data, including a JAX implementation of QT-Net, to support the broader use of learned QTA properties as inductive biases for atomic-scale molecular machine learning.
Authors: Haoren Xu, Guanhua Fang
Abstract: Large language models (LLMs) exhibit two striking and ostensibly unrelated behaviours: in-context learning (ICL) and repetitive generation. In both, the model behaves as though it had summarised the context into a population-level statistic and discarded token-level detail. We ask whether this ``summarisation and forgetting'' can be derived from the attention mechanism itself, and answer in the affirmative. Under stationary, ergodic and elliptical inputs, the softmax attention output converges almost surely to $\Theta_V\Sigma\Theta_K^{\top}\Theta_Q x_t$, where $\Sigma$ is the input covariance; the long-context limit is therefore a linear readout of the input's second-order statistics. Two consequences follow. (i) For in-context linear regression, a single softmax head can implement one step of population gradient descent. Stacking such heads with residual connections iterates this update and implements multiple gradient descent steps. (ii) Propagated across an $L$-layer transformer, this readout drives the terminal hidden state at the parametric $1/t$ rate to a deterministic function of the current token alone, so that autoregressive generation collapses asymptotically to a first-order Markov chain whose attracting orbits furnish a structural account of repetition and mode collapse. The two phenomena thus emerge as facets of a single covariance-readout principle.
Authors: Xingyu Qu, Peigeng Huang, Samuel Horvath
Abstract: Muon has emerged as an efficient alternative to Adam for pretraining, yet remains underused for fine-tuning. A key obstacle is that most open models are pretrained with Adam, and naively switching to Muon for fine-tuning leads to degraded performance due to an optimizer mismatch. We investigate this mismatch through controlled experiments and relate it to the distinct implicit biases of Adam and Muon. We provide evidence that the mismatch disrupts pretrained knowledge, and that this disruption scales with update strength. This leads us to hypothesize that constraining updates should mitigate the mismatch. We validate this with LoRA: across language and vision tasks, LoRA reduces the performance gap between Adam and Muon observed under full fine-tuning. Studies on LoRA rank, catastrophic forgetting, and LoRA variants further confirm that mismatch severity correlates with update strength. These results shed light on how optimizer mismatch affects fine-tuning and how it can be mitigated. Our code is available at https://github.com/XingyuQu/muon-finetune.
Authors: Yasmine Abu-Haeyeh, Tobias Ladner, Matthias Althoff, Lars Hedrich
Abstract: Analog neural networks are gaining attention due to their efficiency in terms of power consumption and processing speed. However, since analog neural networks are implemented as physical circuits, they are highly sensitive to manufacturing process variations, which can cause large deviations from the nominal model. We present a polynomial-based model that resembles the performance of the neuron circuit under process variations. Then, we formally verify the behavior of the circuit-level model using reachability analysis with polynomial zonotopes, thus, avoiding conventional, time-consuming Monte Carlo simulations. We evaluate our proposed verification approach on three different datasets, verifying both fully-connected and convolutional analog neural networks. Our experimental results confirm the effectiveness of our verification approach by reducing the verification time from days to seconds while enclosing 99% of the variation samples.
Authors: Yousef A. Radwan, Yao Li, Qing Qing, Ziqi Xu, Qixin Zhang, Yongcheng Jing, Renqiang Luo, Xikun Zhang
Abstract: Biomedical knowledge graphs are increasingly large, dynamic, and multimodal, driven by rapid advances in biotechnology such as high-throughput sequencing. Machine learning models can infer previously unobserved biomedical relationships and characterize biomedical entities in these graphs, but existing knowledge graph embedding methods and their continual learning extensions either assume static graph structure or fail to exploit multimodal information under evolving data distributions. They also apply uniform regularization across all model parameters, ignoring that different modalities may exhibit distinct forgetting dynamics as the graph evolves. We propose the Continual Multimodal Knowledge Graph Learner (CMKL), a CL framework for biomedical KGs that natively encodes structure, text, and molecules, fuses them through a Mixture-of-Experts (MoE) router, and protects previously learned knowledge with standard EWC regularization and a K-means-diverse multimodal replay buffer. We evaluate CMKL on a 129K-entity biomedical continual benchmark with 10 tasks. On continual biomedical entity classification, CMKL reaches AP 0.591 versus 0.370 for the strongest structural baseline, a 60% gain that is driven by access to multimodal features and preserved across the sequence with near-zero forgetting (AF 0.008). On continual relationship prediction, CMKL reaches AP $0.062$, matching Naive Sequential and EWC (0.058) within seed noise and outperforming Joint Training (0.047, p=0.045) and LKGE (0.039). A frozen-text ablation reaches AP 0.136, more than double any jointly trained model, yet that signal is unreachable by margin-ranking gradients: the greedy-modality asymmetry lives at the representation level, not the fusion level, and MoE routing manages it by suppressing the unreachable modality without forcing it through a learned bottleneck. Code: github.com/yradwan147/cmkl-neurips2026
Authors: Marie Brockschmidt, Santo M. A. R. Thies, Maresa Schr\"oder, Dennis Frauen, Valentyn Melnychuk, Maximilian Muschalik, Eyke H\"ullermeier, Stefan Feuerriegel
Abstract: In causal inference, confounders are variables that influence both treatment decisions and outcomes. However, unlike as in randomized clinical trials, the treatment assignment mechanism in observational studies is not known, and it is thus unclear which covariates act as confounders. Here, we aim to generate insight for causal inference and answer: which of the observed covariates act as confounders? We introduce ConfoundingSHAP, a Shapley-based method for attributing confounding strength to individual covariates. Our contributions are twofold. First, we propose a Shapley game targeted to infer the confounding strength of the covariates. Our resulting Shapley values differ from the standard applications of SHAP explanations on causal targets, such as understanding treatment effect heterogeneity, which are ill-suited for our task. Second, as our task requires evaluating the value function over many adjustment sets, we provide a scalable TabPFN-based estimation that avoids exhaustive refitting. We demonstrate the practical value across various datasets, where ConfoundingSHAP provides informative explanations of which observed covariates drive confounding and thereby helps to provide more insight for causal inference in practice.
Authors: Honghan Wu, Tianyan Wang, Jiacong Mi, Zhoyang Jiang, Yunsoo Kim
Abstract: Rare semantic innovations in high-dimensional, mission-critical domains are often obscured by dense background contexts, a challenge we define as \textit{feature density conflict}. We introduce the \textbf{Hybrid Hierarchical SAE (HH-SAE)} to resolve this by factorizing manifolds into a nested hierarchy of \textbf{Contextual} ($L_0$), \textbf{Atomic} ($f_1$), and \textbf{Compository} ($f_2$) tiers. Evaluating across disparate manifolds, HH-SAE demonstrates superior resolution by \textbf{``fracturing'' administrative clinical labels into physiological modes} and achieving a peak \textbf{cross-domain zero-shot AUC of 0.9156 in fraud detection}. Path ablation confirms the architecture's structural necessity, revealing a 13.46\% utility collapse when contextual subtraction is removed. Finally, knowledge-steered synthesis achieves a +9.9\% AUPRC lift over state-of-the-art generators, proving that HH-SAE effectively prioritizes high-order mechanistic innovation over environmental proxies to enable high-precision discovery in high-stakes environments.
Authors: Raphael Trumpp, \"Omer Veysel \c{C}a\u{g}atan, Bar{\i}\c{s} Akg\"un, Marco Caccamo
Abstract: Pixel-based deep reinforcement learning agents are typically trained on heavily downsampled visual observations, a convention inherited from early benchmarks rather than grounded in principled design. In this work, we show that observation resolution is a critical yet overlooked variable for policy learning: higher-resolution inputs can substantially improve both performance and generalization, provided the network architecture can process them effectively. We find that the widely used Impala encoder, which flattens spatial features into a vector, suffers from quadratic parameter growth as resolution increases and fails to leverage the additional visual detail. Replacing this operation with global average pooling, as in the Impoola architecture, decouples parameter count from resolution and yields consistent improvements across resolutions and network widths - at their respective best conditions, visual scaling unlocks a 28 % performance gain for Impoola over Impala. These gains are strongest in environments that require precise perception of small or distant objects, and gradient saliency analysis confirms that the underlying mechanism is a more spatially localized visual attention of the policy at higher resolutions. Our results challenge the prevailing practice of aggressive input downsampling and position resolution-independent architectures as a simple, effective path toward scalable visual deep RL. To facilitate future research on resolution scaling in deep RL, we publicly release the open-source code for the Procgen-HD benchmark: https://github.com/raphajaner/procgen-hd.
Authors: Zetao Yang
Abstract: Electronic design automation (EDA) addresses placement, routing, timing analysis, and power-integrity verification for integrated circuits. Learning methods -- attention (Transformer) and reinforcement learning (RL) -- have recently emerged on EDA tasks, yet face two common bottlenecks: vanilla attention's quadratic complexity limits scaling, and data-scarce models overfit statistical noise and amplify weak long-range correlations against the underlying physics. We observe that EDA tasks share a physical prior -- pairwise electrical and routing interactions decay exponentially along Manhattan distance -- and integrate it as a unified inductive bias into both architecture and training. We propose PhysEDA, comprising two components Physics-Structured Linear Attention (PSLA) folds the separable Manhattan decay into the linear-attention kernel as a multiplicative bias, reducing complexity from quadratic to linear; Potential-Based Reward Shaping (PBRS) constructs a physical potential from the same kernel, providing dense reward signal under sparse RL while preserving the optimal policy via the policy-invariance theorem. Across three EDA scenarios -- decoupling-capacitor placement, macro placement, and IR-drop prediction -- PhysEDA improves zero-shot cross-scale transfer by 56.8% and achieves 14x inference speedup with 98.5% memory savings on 100x100 grids; PBRS adds another 10.8% in sparse-reward DPP.
Authors: H. Ibrahim Erdogan (University of Bayreuth, Germany), Punith Raviswamy (University of Bayreuth, Germany), Nikita Agrawal (University of Bayreuth, Germany), Yannik K\"oster (Friedrich Schiller University Jena, Germany), Stefan Zechel (Friedrich Schiller University Jena, Germany), Ulrich S. Schubert (Friedrich Schiller University Jena, Germany), Ruben Mayer (University of Bayreuth, Germany), Christopher Kuenneth (University of Bayreuth, Germany)
Abstract: Graph Neural Networks (GNNs) have achieved strong results in molecular property prediction, but polymers present distinct challenges: labeled datasets are scarce and small (typically in the order of hundreds of polymers) due to the need for expensive experimentation, and complex polymer chain distributions influence polymer properties. Established practice in polymer prediction represents polymers solely by graphs of their repeat units, discarding the chain-scale morphology that governs key properties such as the glass transition temperature ($T_g$). In this work, we propose a principled graph construction that addresses this gap. Given a polymer's molecular mass distribution (MMD), we sample representative chains from the Schulz-Zimm distribution and construct representative sets of large graphs encoding chain-scale topology directly, with atoms and bonds featurized using rich chemical descriptors. We further pretrain GNN encoders via masked graph modeling on 100,000 unlabeled PSMILES strings before fine-tuning on labeled data. On a dataset of 381 polymers (180 homopolymers and 201 copolymers), we show that graph construction and self-supervised pretraining are jointly necessary: without pretraining, the large graph method matches the repeat-unit baseline (28.40 K vs. 28.36 K RMSE); with pretraining, it achieves 24.76 K +/- 3.30 K, a 5.1% reduction in mean error over the pretrained repeat-unit baseline (26.08 K +/- 4.20 K, p < 0.001, 30 runs). An ablation removing chemical features degrades performance to 36.65 K, confirming both components are essential. Results are architecture-agnostic, holding for both GINE and GATv2 encoders.
Authors: Marshal Arijona Sinaga, Julien Martinelli, Teemu Turpeinen, Samuel Kaski
Abstract: Bayesian optimization (BO) is a widely used framework for optimizing expensive black-box functions, commonly based on Gaussian process (GP) surrogate models. Its effectiveness relies on uncertainty quantification that is both sharp (informative) and well-calibrated along the BO trajectory. In practice, GP kernel hyperparameters are unknown and are refit online from sequentially collected (non-i.i.d.) data, which can yield miscalibrated or overly conservative uncertainty and lies outside the fixed-kernel assumptions of standard BO regret theory. We propose Online Sharp-Calibrated Bayesian Optimization (OSCBO), a BO algorithm that adaptively balances GP sharpness and calibration by casting hyperparameter selection as a constrained online-learning problem. We also show that OSCBO preserves sublinear regret bounds by leveraging the theoretical guarantees of the underlying online learning algorithm. Empirically, OSCBO performs competitively across synthetic and real-world benchmarks, ranking among the strongest methods in final simple regret while maintaining robust cumulative-regret behavior.
Authors: Pau de las Heras Molins, Beyazit Yalcinkaya, Lasse Peters, David Fridovich-Keil, Georgios Bakirtzis
Abstract: Multi-objective reinforcement learning (MORL) allows a user to express preference over outcomes in terms of the relative importance of the objectives, but standard metrics cannot capture whether changes in preference reliably change the agent's behavior in the intended way, a property termed controllability. As a result, preference-conditioned agents can score well on standard MORL metrics while being insensitive to the preference input. If the ability to control agents cannot be reliably assessed, the symbolic interface that MORL provides between user intent and agent behavior is broken. Mainstream MORL metrics alone fail to measure the controllability of preference-conditioned agents, motivating a complementary metric specifically designed to that end. We hope the results spur discussion in the community on existing evaluation protocols to consolidate advances in preference adaptation in MORL to larger and more complex problems.
Authors: Mieke Wilms, Christoph Heitz
Abstract: Designing fair algorithmic decision systems requires balancing model performance with fairness toward affected individuals: More fairness might require sacrificing some performance and vice versa, yet the space of possible trade-offs is still poorly understood. We investigate fairness in binary prediction-based decision problems by conceptualizing decision making as a multi-objective optimization problem that simultaneously considers decision-maker utility and group fairness. We investigate the set of Pareto-optimal decision rules for arbitrary utility functions for decision maker, arbitrary population distributions, and a wide range of group fairness metrics. We find that the Pareto frontier consists of deterministic, group-specific threshold rules applied to individuals' success probability. This complements existing optimality theorems from literature which, for specific fairness constraints, posit lower-bound threshold rules only. However we also show that, depending on the used fairness metric, the Pareto frontier may include upper-bound threshold rules, thus preferring individuals with lower success probabilities. We show that the location of the Pareto frontier depends only on population characteristics, utility functions and fairness score, but not on the technical design of the algorithm - our findings hold for pre-, in-, and post-processing approaches alike. Our results generalize existing optimality theorems for fairness-constrained classification and extend them to generalized fairness metrics and fairness principles, and to partial fairness regimes. This paper connects formal fairness research with legal and ethical requirements to search for less discriminatory alternatives, offering a principled foundation for evaluating and comparing algorithmic decision systems.
Authors: Alan Arazi, Eilam Shapira, Shoham Grunblat, Mor Ventura, Elad Hoffer, Gioia Blayer, David Holzm\"uller, Lennart Purucker, Ga\"el Varoquaux, Frank Hutter, Roi Reichart
Abstract: Tabular Foundation Models have recently established the state of the art in supervised tabular learning, by leveraging pretraining to learn generalizable representations of numerical and categorical structured data. However, they lack native support for unstructured modalities such as text and image, and rely on frozen, pretrained embeddings to process them. On established Multimodal Tabular Learning benchmarks, we show that tuning the embeddings to the task improves performance. Existing benchmarks, however, often focus on the mere co-occurrence of modalities; this leads to high variance across datasets and masks the benefits of task-specific tuning. To address this gap, we introduce MulTaBench, a benchmark of 40 datasets, split equally between image-tabular and text-tabular tasks. We focus on predictive tasks where the modalities provide complementary predictive signal, and where generic embeddings lose critical information, necessitating Target-Aware Representations that are aligned with the task. Our experimental results demonstrate that the gains from target-aware representation tuning generalize across both text and image modalities, several tabular learners, encoder scales, and embedding dimensions. MulTaBench constitutes the largest image-tabular benchmarking effort to date, spanning high-impact domains such as healthcare and e-commerce. It is designed to enable the research of novel architectures which incorporate joint modeling and target-aware representations, paving the way for the development of novel Multimodal Tabular Foundation Models.
Authors: Taha Entesari, Mahyar Fazlyab
Abstract: Reachability analysis of neural networks, which seeks to compute or bound the set of outputs attainable over a given input domain, is central to certifying safety and robustness in learning-enabled physical systems. Since exact reachable set computation is generally intractable, existing methods typically rely on tractable overapproximations. Examining the state of the art for smooth, twice-differentiable networks, we observe that existing approaches exploit at most second-order information and do not systematically leverage higher-order information. In this work, we introduce \textsc{HiTaB}, a novel verification framework that exploits second-order smoothness through both the Hessian, $\nabla^2 f$, and its Lipschitz constant, $L_{\nabla^2 f}$. We further develop a unified hierarchy of zeroth-, first-, and second-order bounds, together with precise conditions under which higher-order approximations yield provable improvements. Our main technical contribution is a compositional procedure for efficiently bounding $L_{\nabla^2 f}$ in deep neural networks via layerwise propagation of curvature bounds. We extend the framework to both $\ell_2$- and $\ell_\infty$-constrained input sets and show how it can be integrated into branch-and-bound verification pipelines. To our knowledge, this is the first practical reachability analysis framework for smooth neural networks that systematically exploits Lipschitz continuity of curvature, leading to tighter and more informative safety certificates.
Authors: Weizhou Wang, Jonathan Weare, Aaron R. Dinner
Abstract: Pretrained diffusion models provide powerful learned priors, but in scientific sampling the target distribution often depends on physical context that is not fully represented by one generative model. We introduce Generative Gibbs for Physics-Aware Sampling (GG-PA), a training-free framework that formulates the composition of learned partial priors and explicit physical context as inference over a joint target distribution in an augmented state space. We derive a Gibbs sampler for this joint target, show that it is asymptotically exact as the diffusion time approaches zero, and prove that in settings with quadratic interactions it remains exact at finite diffusion times. We further introduce replica exchange over diffusion time to accelerate mixing. Experiments on a double-well system, a $\phi^4$ lattice model, and atomistic peptide systems show that GG-PA recovers context-induced distribution shifts and emergent collective behavior in interacting systems using partial priors without retraining. These results demonstrate GG-PA as a practical approach for combining pretrained generative priors with explicit physical context.
Authors: Tommaso Fioratti, Riccardo Marcaccioli, Francesco Casola
Abstract: Proper weight initialization prior to training has historically been one of the key factors that helped kick off the deep learning revolution. Initialization is even more crucial in "reservoir computing", where the weights of a readout layer are learned linearly while the reservoir weights are fixed and largely determine the richness, stability and memory of the resulting dynamics. In the infinite-width limit it has been shown that meaningful initializations are those sitting at an effective critical point of the randomly initialized model. The phase transition is controlled by the weight variance $g^2$ and separates an ordered phase from a chaotic one where information progressively degrades. Here we derive a simple criterion to estimate the critical $g_c$ for a broad class of recurrent architectures and we show that it closely tracks the gain at which a gated-RNN reservoir achieves peak performance on a chaotic forecasting task. Finally, we argue that our criterion can serve as a design principle for future initialization schemes.
Authors: Zheng Li, Feng Xie, Shenglan Nie, Xichen Guo, Ruxin Wang, Hao Zhang
Abstract: Constraint-based causal discovery is widely used for learning causal structures, but heavy reliance on conditional independence (CI) testing makes it computationally expensive in high-dimensional settings. To mitigate this limitation, many divide-and-conquer frameworks have been proposed, but most assume causal sufficiency, i.e., no latent variables. In this paper, we show that divide-and-conquer strategies can be theoretically generalized beyond causal sufficiency to settings with latent variables. Specifically, we propose a recursive decomposition framework, termed DiCoLa, that enables divide-and-conquer causal discovery in the presence of latent variables. It recursively decomposes the global learning task into smaller subproblems and integrates their solutions through a principled reconstruction step to recover the global structure. We theoretically establish the soundness and completeness of the proposed framework. Extensive experiments on synthetic data demonstrate that our approach significantly improves computational efficiency across a range of causal discovery algorithms, while experiments on a real-world dataset further illustrate its practical effectiveness.
Authors: Jixiang Qing, Henry Moss, Matthias Sachs
Abstract: We consider the active learning problem where the goal is to learn an unknown function with low prediction error under an unknown Boltzmann distribution induced by the function itself. This self-induced weighting arises naturally in problems such as potential energy surface (PES) modeling in computational chemistry, yet poses unique challenges as the target distribution is unknown and its partition function is intractable. We propose \texttt{AB-SID-iVAR}, a Gaussian Process-based acquisition function that approximates the intractable Bayesian target distribution in closed form while avoiding partition function estimation, and is applicable to both discrete and continuous input domains. We also analyze a Thompson sampling alternative (\texttt{TS-SID-iVAR}) as a higher variance Monte Carlo variant. Despite the unknown target, under mild conditions, we establish that the terminal prediction error vanishes with high probability, and provide a tighter average-case guarantee. We demonstrate consistent improvements over existing approaches in this setting on synthetic benchmarks and real-world PES modeling and drug discovery tasks.
Authors: Venugopalan Iyengar
Abstract: Trellis-coded quantization sets the current 2-bit post-training frontier for LLMs (QTIP), but pushing below the PTQ ceiling requires quantization-aware training, and QAT on a trellis is obstructed by the non-differentiable Viterbi argmax. We introduce BCJR-QAT, a relaxation that replaces the argmax with the BCJR forward-backward sum-product algorithm at temperature $T$, producing a soft codeword equal to the Boltzmann expectation over trellis paths, exactly differentiable, recovering the hard QTIP code as $T \to 0$, and mathematically identical to the transfer-matrix computation for a 1D Ising-like spin chain. We contribute (i) a fused Triton kernel making BCJR tractable on a single consumer GPU ($6.57\times$ speedup, fp32 parity); (ii) a quantitative drift-budget theory of when BCJR-QAT can escape the QTIP-PTQ Voronoi basin, verified across four experiments; and (iii) a positive empirical result on Llama-3.2-1B at 2 bpw under end-to-end forward-KL distillation: with the right schedule (skip the high-$T$ phase to avoid an overshoot we diagnose), single-layer BCJR-QAT beats QTIP-PTQ by $\mathbf{-0.084}$ PPL on WikiText-2, and multi-layer compounding is super-additive.
Authors: Yao Shu, Jian Mu, Zhongxiang Dai
Abstract: Continual learning requires new-task adaptation without damaging previously acquired capabilities. Recent forward-pass and zeroth-order (ZO) results show that low-query adaptation may retain better than first-order (FO) descent, but the usual view of ZO as noisy FO estimation does not explain why. We give a local randomized gradient-shaping analysis: finite differences expose a raw shape that is mean-aligned with FO, while the norm-matched comparator fixes the expected squared adaptation norm. Under this controlled comparison, forgetting depends on how the adaptation shape exposes retention curvature. For norm-matched ZO, the expected shaped retention curvature obeys an exact identity that preserves the isotropic retention floor while contracting only the anisotropic component. Projecting this identity onto the incoming gradient yields the observable FO--ZO quadratic forgetting gap: ZO improves mean forgetting precisely when the FO direction has above-average retention curvature, by a query-dependent fraction of that curvature excess. A practical finite-query accounting separates the mean mechanism from one-batch sampling and smoothing perturbations. As an algorithmic transfer, RISE applies the calibrated ZO shape to exact FO gradients inside parameter blocks. Its target is a stability--plasticity tradeoff: randomized shaping may reduce the retention exposure paid by FO, exact gradients remove finite-smoothing bias from finite-difference ZO, and blockwise sampling supplies many local shaping directions after one gradient computation. The blockwise analysis separates mean-step damage from centered random exposure, showing how block-diagonal curvature, cross-block coupling, and local shaping diagnostics specify where this exact-gradient transfer is most likely to be visible.
Authors: Francis Bach (SIERRA)
Abstract: We propose a closed-form spectral framework for relative log-density estimation in linearly parameterized probabilistic models, including unnormalized and conditional models. This is achieved by representing the Kullback-Leibler (KL) divergence as an integral of weighted chi-squared divergences, converting KL estimation into a family of least-squares problems. We derive an explicit spectral formula based only on first- and second-order feature moments, yielding closed-form estimators of both divergences and log-density potentials for fixed features. The framework extends to a broad class of f-divergences and can be combined with kernelization or feature learning with neural networks. We prove convergence guarantees for the resulting estimators and empirically compare them on synthetic data with optimization-based variational formulations, including logistic and softmax regression for normalized conditional models.
Authors: Phalguni Nanda, Zaiwei Chen
Abstract: In this work, we show that natural policy gradient, a core algorithm in reinforcement learning, admits an exact formulation as a smoothed and averaged form of policy iteration. Specifically, we introduce doubly smoothed policy iteration (DSPI), a Bellman-operator framework in which each policy is obtained by applying a regularized greedy step to a weighted average of past $Q$-functions. DSPI includes policy iteration, dual-averaged policy iteration, natural policy gradient, and more general policy dual averaging methods as special cases. Using only monotonicity and contraction of smoothed Bellman operators, we prove distribution-free global geometric convergence of DSPI. Consequently, standard natural policy gradient and policy dual averaging achieve an iteration complexity of $\mathcal{O}((1-\gamma)^{-1}\log((1-\gamma)^{-1}\epsilon^{-1}))$ for computing an $\epsilon$-optimal policy, without modifying the MDP, adding regularization beyond the mirror map inherent in the update, or using adaptive, trajectory-dependent stepsizes. For the unregularized greedy case, corresponding to dual-averaged policy iteration, we also prove finite termination. The same Bellman-operator framework further extends to discounted MDPs with linear function approximation and stochastic shortest path problems.
Authors: Yao Shu, Zilin Zhu
Abstract: Low-bit forward evaluation is an attractive route to memory-efficient zeroth-order (ZO) adaptation: the optimizer needs only scalar losses, and the model can be queried near deployment precision. The obstacle is that a quantized ZO query is not a continuous finite difference followed by harmless storage rounding. The query chooses endpoints, the low-precision engine rounds them, and the loss difference is measured along the rounded chord. For nonuniform companding quantizers, this makes the codebook insufficient to predict ZO behavior: a fixed weight-space radius can collapse in dense cells, over-span sparse cells, or assign a rounded chord to an unrounded update direction. We identify the missing object as query geometry and model scalar nonuniform quantization as $Q = \phi^{-1} \circ U \circ \phi$. CAQ-ZO (Compander-Aligned Queries for Zeroth-Order Optimization) forms one-grid-step Rademacher stencils $z \pm \Delta r$ in $z = \phi(x)$, maps endpoints back through $\phi^{-1}$, and updates in $z$. Our theory proves the grid-span mismatch, decomposes endpoint-rounding estimator residuals, and gives stationarity bounds in which generic off-grid queries retain a $\Delta^2/\mu^2$ residual channel while CAQ-ZO makes the query-time residual exactly zero. Synthetic experiments isolate this channel, and matched NF4 Qwen/Llama fine-tuning shows that CAQ-ZO improves the trained NF4 baseline under the same quantizer and evaluation budget.
Authors: Igor Slinko, Ilia Zavidnyi, Egor Bogomolov, Yaroslav Zharov
Abstract: Rejection Fine-Tuning (RFT) is a standard method for training LLM agents, where unsuccessful trajectories are discarded from the training set. In the context of SWE-bench tasks, this corresponds to filtering out runs where the submitted patch does not pass the tests. However, this approach discards unresolved trajectories, even though they form a large portion of all trajectories for hard tasks and even then may be partially correct. In this work, we propose Step Rejection Fine-Tuning (SRFT) - a practical way to leverage these unresolved trajectories. For this, we employ a critic LLM to assess the correctness of each step in a trajectory. Consequently, during training, we mask the loss for erroneous steps while retaining them in the context window. This way we ensure the model learns to recover from errors without reproducing them. Evaluation on SWE-bench Verified shows that while RFT improves the resolution rate by 2.4% by excluding unresolved trajectories, SRFT improves it by 3.7% by filtering them instead of discarding completely, reaching the total resolution rate of 32.2%.
Authors: Virgile Dine, Teddy Furon
Abstract: This paper proposes a paradigm shift linking machine unlearning directly to the structure of the data distributions rather than a mere update of the neural network parameters. We show that inferring these distributions with precision enables distilling the exact unlearning signal induced by the modeling. Theoretical bounds on the Kullback-Leibler divergence from the ideal retrained model to our unlearned model, under verifiable admissibility criterion, reveal the soundness of our framework. This method is experimentally validated over three forgetting scenarios as reaching the closest classifier to the ideal retrained model when compared to competitors.
Authors: Xiao Tian, Jue Fan, Rachael Hwee Ling Sim, Zixuan Wang, Nancy F. Chen, Bryan Kian Hsiang Low
Abstract: Data selection studies the problem of identifying high-quality subsets of training data. While some existing works have considered selecting the subset of data with top-$m$ Data Shapley or other semivalues as they account for the interaction among every subset of data, other works argue that Data Shapley can sometimes perform ineffectively in practice and select subsets that are no better than random. This raises the questions: (I) Are there certain "Shapley-informative" settings where Data Shapley consistently works well? (II) Can we strategically utilize these settings to select high-quality subsets consistently and efficiently? In this paper, we propose a novel data selection framework, NASH (Non-linear Aggregation of SHapley-informative components), which (I) decomposes the target utility function (e.g., validation accuracy) into simpler, Shapley-informative component functions, and selects data by optimizing an objective that (II) aggregates these components non-linearly. We demonstrate that NASH substantially boosts the effectiveness of Shapley/semivalue-based data selection with minimal additional runtime cost.
Authors: Xingjian Xu, Di Qi, Chunmei Wang
Abstract: Turbulent dynamical systems are characterized by nonlinear interactions and stochastic effects that generate coupled statistical quantities, such as non-zero higher-order moments, which are difficult to capture from data with accuracy. We propose a two-stage data-driven modeling framework that combines symbolic regression with generative models to jointly identify the governing dynamics and predict their key statistical quantities. In Stage I of the framework, the Finite Expression Method (FEX) is adopted to discover closed-form expressions of the deterministic dynamics, recovering nonlinear interaction terms and external forcing without predefined libraries. In Stage II, generative models are introduced to learn the residual stochastic components as a refined correction to the model error from the Stage I approximation, enabling accurate characterization of higher-order statistics. Theoretical analysis establishes the consistency of the symbolic estimator and quantifies the estimation error in terms of data size and numerical discretization. The model performance is verified through detailed numerical experiments on the stochastic triad models across multiple regimes, demonstrating that the framework successfully recovers interaction terms and forcing expressions, and accurately predicts statistical moments up to order five. These results highlight the potential of integrating interpretable symbolic discovery with data-driven stochastic modeling for complex turbulent systems.
Authors: Jarod L\'evy, Hubert Banville, J\'er\'emy Rapin, Jean-Remi King, Thomas Moreau, St\'ephane d'Ascoli
Abstract: Event identification in continuous neural recordings is a critical task in neuroscience. Decoding in EEG is dominated by classifying windows aligned to known event onsets. However, while available in controlled experiments, such onsets are absent in continuous real-world monitoring. Here, we introduce DANCE, a deep learning pipeline that frames neural decoding as a set-prediction problem and jointly detects and classifies events directly from raw, unaligned signals. Evaluated separately on ten datasets curated from the literature with a wide variety of event types (ranging from milliseconds to minutes in duration), our model outperforms existing methods on a broad range of cognitive, clinical and BCI tasks. This single architecture establishes a new state of the art in the competitive task of seizure monitoring and matches the accuracy of onset-informed models for BCI tasks. Overall, our method marks a step towards end-to-end asynchronous neural decoding models
Authors: Byeongchan Kim, Arijit Sehanobish, Avinava Dubey, Min-hwan Oh, Krzysztof Choromanski
Abstract: We present a new class of efficient attention mechanisms applying universal 3D Relative Positional Encoding (RPE) methods given by arbitrary integrable modulation functions $f$. They lead to the new class of 3D-Transformer models, called \textit{RelFlexformers}, flexibly integrating those RPEs, and characterized by the $O(L \log L)$ time complexity of the attention computation for the $L$-length input sequences. RelFlexformers builds on the theory of the Non-Uniform Fourier Transform (NU-FFT), naturally generalizing several existing efficient RPE-attention methods from structured settings with tokens homogeneously embedded in unweighted grids into general non-structured heterogeneous scenarios, where tokens' positions are arbitrarily distributed in the corresponding 3D spaces. As such, RelFlexformers can be applied in particular to model point clouds. Our extensive empirical evaluation on a large portfolio of 3D datasets confirms quality improvements provided by the NU-FFT-driven attention modulation techniques in the RelFlexformers.
Authors: Muheng Li, Jian Qian, Wenlong Mou
Abstract: Large language models are increasingly deployed with test-time strategies: sample $N$ responses, score them with a reward model or verifier, and return the best. This deployment rule exposes a mismatch in post-training: standard objectives optimize the mean reward of a single response, whereas best-of-$N$ performance is governed by the upper tail of the reward distribution. Recent test-time-aware objectives partly address this mismatch, but typically assume that training can use the same per-prompt rollout budget as deployment, which is impractical when post-training must cover many prompts while deployment can allocate much larger per-prompt test-time compute. We study this budget-mismatch regime, where only $m\ll N$ per-prompt rollouts are available during training but the target objective is best-of-$N$ deployment. Under structural assumptions on the reward tails, we show that the policy gradient of the best-of-$N$ objective can be approximated from a much smaller rollout group by extrapolating upper-tail statistics. This yields a family of Tail-Extrapolated estimators for best-of-$N$-oriented post-training: a simple direct estimator, Tail-Extrapolated Advantage (TEA), and a fixed-order debiased Prefix-TEA estimator based on moment cancellation. Experiments on instruction-following tasks show that TEA and Prefix-TEA improve best-of-$N$ performance across different language models, reward models and datasets under various training and test-time budget settings.
Authors: Guillem Capellera, Antonio Rubio, Luis Ferraz, Antonio Agudo
Abstract: Multi-agent trajectory modeling traditionally focuses on forecasting, often neglecting more general tasks like trajectory completion, which is essential for real-world applications such as correcting tracking data. Existing methods also generally predict agents' states without offering any state-wise measure of heteroscedastic uncertainty. Moreover, popular multi-modal sampling methods lack error probability estimates for each generated scene under the same prior observations, which makes it difficult to rank the predictions at inference time. We introduce U2Diffine, a unified diffusion model built to perform trajectory completion while simultaneously offering state-wise heteroscedastic uncertainty estimates. This is achieved by augmenting the standard denoising loss with the negative log-likelihood of the predicted noise, and then propagating the latent space uncertainty to the real state space using a first-order Taylor approximation. We also propose U2Diff, a faster baseline that avoids gradient computation during sampling. This approach significantly increases inference speed, making it as efficient as a standard generative-only diffusion model. For post-processing, we integrate a Rank Neural Network (RankNN) that enables error probability estimation for each generated mode, demonstrating strong correlation with ground truth errors. Our method outperforms state-of-the-art solutions in both trajectory completion and forecasting across four challenging sports datasets (NBA, Basketball-U, Football-U, Soccer-U), underscoring the effectiveness of our uncertainty and error probability estimation.
Authors: Sam Money-Kyrle, Markus Dablander, Thierry Hanser, Stephane Werner, Charlotte M. Deane, Garrett M. Morris
Abstract: Molecular Graph Neural Networks (GNNs) are increasingly common in drug discovery, particularly for Quantitative Structure-Activity Relationship (QSAR) studies; yet, their superiority compared to classical molecular featurisation approaches is disputed. We report a general strategy for improving GNNs for QSAR by pre-training to predict Extended-Connectivity Fingerprints (ECFP). We validate our approach with statistical tests and challenging out-of-distribution (OOD) splits. Across five out of six Biogen benchmarks, we observed a statistically significant improvement in standard performance metrics over all evaluated baselines when using ECFP pre-trained GNNs. However, for more heterogeneous datasets and more complex endpoints, such as binding affinity prediction, pre-trained GNNs underperformed in OOD settings. Importantly, we investigated the impact of substructure-level data leakage during pre-training on downstream performance. While we identified scenarios where pre-training on ECFPs was less effective, our findings show that ECFP-based pre-training can enhance downstream OOD performance on a diverse set of practically relevant QSAR tasks.
Authors: Maria Esteban-Casadevall, Jorge Carrasco-Pollo, Max Welling, Jan-Willem van de Meent, Erik J. Bekkers, Floor Eijkelboom
Abstract: We propose kernel-gradient drifting, a one-step generative modeling framework that replaces the fixed Euclidean displacement direction in drifting models with directions induced by the kernel itself. Standard drifting is attractive because it enables fast, high-quality generation without distilling a large pretrained diffusion model, but its theory is currently understood mainly for Gaussian kernels, where the drift coincides with smoothed score matching and is identifiable. Our gradient-based reformulation exposes this score-based structure for general kernels: the resulting drift is the score difference between kernel-smoothed data and model distributions, yielding identifiability for characteristic kernels and a smoothed-KL descent interpretation of the drifting dynamics. Since kernel gradients are intrinsic tangent vectors, the same construction extends naturally to Riemannian manifolds and to discrete data via the Fisher-Rao geometry of the probability simplex. Across spherical geospatial data, promoter DNA and molecule generation, kernel-gradient drifting enables state-of-the-art one-step generation beyond the Euclidean setting without distillation.
Authors: Daniel Palenicek, Florian Vogt, Joe Watson, Ingmar Posner, Danica Kragic, Jan Peters
Abstract: For reinforcement learning in the real world online exploration is expensive A common practice in robotic reinforcement learning is to incorporate additional data to improve sample efficiency Expert demonstration data is often crucial for solving hard exploration tasks with sparse rewards While prior data is used to augment experience and pretrain models we show that the design of existing algorithms fails to achieve the sample efficiency that is possible in this setting due to a failure to use pretrained policies effectively We propose XQCfD which extends the sample-efficient XQC actor-critic to learn from demonstrations using augmented replay buffers pretrained policies and stationary policy architectures designed to avoid rapidly unlearning the strong initial policy like prior works We show our stationary network architecture enables policy improvement out-of-distribution better than standard network architectures due to its higher entropy predictions XQCfD achieves state of the art performance across a range of complex manipulation tasks with sparse rewards from the popular Adroit Robomimic and MimicGen benchmarks -- notably with a low update-to-data ratio and no ensemble networks
Authors: Barbara Su, Fangshuo Liao, Anastasios Kyrillidis
Abstract: Fine-tuning large language models with LoRA requires choosing a rank r before training starts. Existing approaches either extract rank-1 components sequentially, freezing each component's error permanently into every subsequent residual, or optimize the full low-rank factorization jointly with guarantees that describe only the joint update, not individual rank-1 directions. We present AdaPaD (Adaptive Parallel Deflation), which trains all rank-1 components simultaneously: each worker refines its component against a deflation target built from the latest estimates of all predecessors, and as those estimates improve, the targets improve too. We call this property self-correction: deflation errors converge to zero over rounds rather than persisting as fixed residuals. On top of this backbone, AdaPaD adds advance learning (private pre-training before activation) and per-module dynamic rank discovery (importance-based growth until a shared budget is exhausted), making the rank distribution an output rather than an input. We prove that every component's error decays exponentially after a warm-up period, with a generalization bound that splits into a vanishing algorithmic term and an irreducible statistical floor. Empirically, AdaPaD is competitive with adaptive-rank LoRA baselines on GLUE with DeBERTaV3-base at matched parameter budgets, and competitive with fixed-rank LoRA on Qwen3-0.6B SQuAD/SQuAD v2 while deploying an adapter that is on average 30.7% smaller.
Authors: Li Shen, Xiaolei Hao, Qinglun Li, Xiaochun Cao, Zhifeng Hao, Xun Yang
Abstract: One-Shot Federated Learning, where a central server learns a global model in a single communication round, has emerged as a promising paradigm. However, under extremely non-IID settings, existing data-free methods often generate low-quality data that suffers from severe semantic misalignment with ground-truth labels. To overcome these issues, we propose a novel Federated Model Inversion and Token Relabel (FedMITR) framework, which trains the global model by fully exploiting all patches of synthetic images. Specifically, FedMITR employs sparse model inversion during data generation, selectively inverting semantic foregrounds while halting the inversion of uninformative backgrounds. To address semantically meaningless tokens that hinder ViT predictions, we implement a differentiated strategy: patches with high information density utilize generated pseudo-labels, while patches with low information density are relabeled via ensemble models for robust distillation. Theoretically, our analysis based on algorithmic stability reveals that Sparse Model Inversion eliminates gradient instability arising from background noise, while Token Relabel effectively reduces gradient variance, collectively guaranteeing a tighter generalization bound. Empirically, extensive experimental results demonstrate that FedMITR substantially outperforms existing baselines under various settings.
Authors: Andreas Bergmeister, Stefanie Jegelka, Nikolas N\"usken, Carles Domingo-Enrich, Jakiw Pidstrigach
Abstract: Diffusion and flow-matching models scale because pretraining is supervised regression: a clean sample is noised analytically, and a model regresses against a closed-form target. RL post-training aligns the model with a reward. In image generation, this makes samples compose objects correctly, render text legibly, and match human preferences. Existing methods rely on costly SDE rollouts, reward gradients, or surrogate losses, sacrificing pretraining's regression structure. We show that the structure extends to RL post-training. Under KL-regularized reward maximization, the optimal generative process tilts the clean-endpoint distribution towards samples with higher reward and leaves the noising law unchanged. Combining this with the adjoint-matching optimality condition and a REINFORCE identity, we derive Reinforce Adjoint Matching (RAM): a consistency loss that corrects the pretraining target with the reward. At each step, we draw a clean endpoint from the current model, evaluate its reward, noise it as in pretraining, and regress. No SDE rollouts, backward adjoint sweeps, or reward gradients are required. Like the pretraining objective, RAM is simple and scales. On Stable Diffusion 3.5M, RAM achieves the highest reward on composability, text rendering, and human preference, reaching Flow-GRPO's peak reward in up to $50\times$ fewer training steps.
Authors: Eleonora Gualdoni, Sonia Laguna, Louis Bethune, Joao Monteiro, Pierre Ablin, Marco Cuturi
Abstract: Multi-domain fine-tuning of large language models requires improving performance on target domains while preserving performance on constrained domains, such as general knowledge, instruction following, or safety evaluations. Existing data mixing strategies rely on fixed heuristics or adaptive rules that cannot explicitly enforce preservation of such capabilities. We propose DynaMiCS, a dynamic mixture optimizer that casts multi-domain fine-tuning as a constrained optimization problem. At each update, DynaMiCS performs short domain-specific probing runs to estimate a slope matrix of local cross-domain effects, capturing how training on each fine-tuning dataset affects each evaluation domain. These estimates are then used to compute mixture weights through optimization over the probability simplex, with the objective of improving target-domain performance while keeping constrained-domain losses below reference levels. Across multi-domain fine-tuning scenarios with varying numbers of target and constrained domains, DynaMiCS achieves stronger target-domain improvements and higher constraint satisfaction than fixed-mixture baselines, at lower computational cost and without reference models, per-example scoring, or manually tuned mixture weights.
Authors: Keitaro Sakamoto, Pierre Ablin, Federico Danieli, Marco Cuturi
Abstract: The quality of open-weight language models has dramatically improved in recent years. Sharing weights greatly facilitates model adoption by enabling their use across diverse hardware and software platforms. They also allow for more open research and testing, to the extent that users can use them as checkpoints, fine-tune them according to their needs, and potentially redistribute them. In some cases, however, concerns on modifying these weights towards unauthorized uses may outweigh the pros of giving users such a freedom. Defending against such adaptation is non-trivial: since an adaptive attacker can observe all weights and architectures by definition, they can reverse simple structural defenses, and use optimization to defeat the simplest locking mechanisms. In this work, we exploit the inference-training asymmetry of automatic differentiation as a novel defense axis. We propose DLR-Lock, a method where the purveyor of the model purposely replaces each pretrained MLP in their model with a deep low-rank residual network (DLR-Net) of comparable parameter count, forcing activation memory that grows linearly with depth during backpropagation. DLR-Nets are efficiently trained via module-wise distillation. We show that, beyond this memory overhead, DLR-Lock results in architectural mismatches that complicate the optimization landscape of standard fine-tuning, and a backward pass that incurs disproportionately more overhead than the forward pass. Our defense succeeds in withstanding adaptive attackers with full knowledge of the defense strategy while preserving the original model's capabilities. Experiments on LLM validate these claims.
Authors: Jeonghye Kim, Jiwon Jeon, Dongsheng Li, Yuqing Yang
Abstract: Self-distillation has emerged as a powerful framework for post-training LLMs, where a teacher conditioned on extra information guides a student without it, both from the same model. While this guidance is useful when the student has failed, on successful rollouts, the same mechanism instead overwrites the student's choices and suppresses it's own reasoning. Therefore, we propose reading the original self-distillation signal in reverse: when the student succeeds along a path the teacher would not have predicted, these tokens reflect its self-driven reasoning. Building on this, we propose RLRT (RLVR with Reversed Teacher), which augments GRPO by reinforcing these tokens on correct rollouts. We interpret this as a new form of exploration in RLVR: not uniform diversity, but valuable exploration grounded in the student's own success. Across base, instruction-tuned, and thinking-tuned Qwen3 checkpoints, RLRT substantially outperforms self-distillation and exploration-based baselines, establishing information asymmetry as a new, principled design axis for RLVR.
Authors: Rohan Surana, Xintong Li, Sheldon Yu, Yiran Jenny Shen, Chuhan Wang, Tong Yu, Prithviraj Ammanabrolu, Jingbo Shang, Julian McAuley, Junda Wu
Abstract: Multi-negative preference optimization under the Plackett--Luce (PL) model extends Direct Preference Optimization (DPO) by leveraging comparative signals across one preferred and multiple rejected responses. However, optimizing over large negative pools is costly, and many candidates contribute redundant gradients due to their similar effects on policy updates. We introduce MASS-DPO, a multi-negative active sample selection method that derives a PL-specific Fisher-information objective for selecting compact, informative negative subsets within each prompt. The resulting log-determinant objective selects negatives that contribute complementary information for policy updates, yielding compact subsets that retain the full pool's information while reducing redundancy. In practice, this favors negatives whose gradients cover different update directions, reducing redundant signal from near-duplicate candidates while preserving the most useful training information. Across four benchmarks spanning recommendation and multiple-choice QA and three model families, MASS-DPO consistently exceeds or matches existing methods in accuracy, improves Recall/NDCG and margin-based optimization dynamics, and delivers stronger alignment with substantially fewer negatives.
Authors: Zhipeng Yao, Dazhou Li, Zitong Zhang, Durude Mahee, Fan Zhu, Wenbin Zhang, Xinwei He, Yeying Jin, Rui Yu
Abstract: Diffusion models have achieved remarkable success, yet their training remains inefficient due to a severe optimization bottleneck, which we term Representation Degradation. As noise levels increase, the outputs of the trained model exhibit progressive structural distortion, which can destabilize training and impair generation quality. Our analysis suggests that this instability is driven by mismatched target recoverability, which is associated with Neural Tangent Kernel (NTK) spectral weakening and effective low-rank behavior. To address this, we propose Elucidated Representation Diffusion (ERD), a plug-and-play framework that dynamically reallocates optimization effort according to effective recoverability. By stabilizing representation learning without external supervision, ERD accelerates convergence and achieves strong empirical performance across diffusion backbones.
Authors: Chayne Thrash, Ali Abbasi, Soheil Kolouri
Abstract: Large language models (LLMs) are costly to deploy due to their large memory footprint and high inference cost. Weight-activation quantization can reduce these costs, but low-bit activation quantization remains difficult because activation outliers induce large quantization error. Recent rotation-based methods address this by applying orthogonal transformations that redistribute activation magnitude across dimensions, but existing approaches either require expensive end-to-end rotation training or rely on stored activation corpora, introducing significant compute or storage overhead. We propose a lightweight post-training rotation calibration method for LLM activation quantization. Our method learns orthogonal rotations that align normalized activations with the corners of an inscribed hypercube, encouraging activation energy to be distributed more evenly across dimensions. This objective admits an efficient closed-form update via the orthogonal Procrustes problem, avoiding gradient-based optimization over the orthogonal group. We further introduce an online calibration procedure that updates rotations as calibration samples are processed, eliminating the need to store activations on disk and allowing rotations to adapt to quantized activation distributions during calibration. Experiments on Llama-2 and Llama-3 models from 3B to 70B parameters show that our method achieves competitive or improved performance across perplexity benchmarks and common sense reasoning tasks while avoiding both costly end-to-end training and large offline activation storage.
Authors: Kai Lion, Florian H\"ubler, Bingcong Li, Antonio Orvieto, Niao He
Abstract: Muon has emerged as a strong competitor to AdamW for language model pre-training, yet its behavior at scale is sensitive to weight decay. Recent work has observed that, for Muon without decoupled weight decay, the spectral norm of weight matrices drifts upward over training. Through a decomposition of the spectral norm into a row-magnitude factor and a row-coherence factor, we identify the former as the empirical driver of this drift under Muon, while the latter remains well-behaved along the trajectory. Motivated by this diagnosis, we introduce Muown, a drop-in replacement for Muon that treats the row-magnitude vector as an explicit optimizer variable, updating it under the $\ell_\infty$ geometry induced by the decomposition, while applying Muon unchanged to the remaining direction component. We prove that Muown attains the optimal non-convex rates in both deterministic and stochastic regimes under a dual norm aligned with the underlying geometries and with a stochastic noise coefficient that empirically remains below that of Muon throughout training. Across GPT-style pre-training on FineWeb-Edu with model sizes from 124M up to 2.7B parameters, Muown improves perplexity over Muon, SOAP, AdamW, and Lion. It also widens the plateau of near-optimal learning rates across model scales, reduces sensitivity to weight decay, and avoids the spectral norm drift at negligible step-time overhead when appropriately sharded.
Authors: Gabriel Garcia
Abstract: Corruption studies, the primary tool for evaluating chain-of-thought (CoT) faithfulness, identify which chain positions are "computationally important" by measuring accuracy when steps are replaced with errors. We identify a systematic confound: for chains with explicit terminal answer statements, the dominant format in standard benchmarks, corruption studies detect where the answer text appears, not where computation occurs. A within-dataset format ablation provides the key evidence: on standard GSM8K chains ending with "the answer is X," removing only the answer statement, preserving all reasoning, collapses suffix sensitivity ~19x at 3B (N=300, p=0.022). Conflicting-answer experiments quantify the causal mechanism: at 7B, CC accuracy drops to near-zero (<=0.02) across five architecture families; the followed-wrong rate spans 0.63-1.00 at 3B-7B and attenuates at larger scales (0.300 at Phi-4-14B, ~0.01 at 32B). A within-stable 7B replication (9.3x attenuation, N=76, p=7.8e-3; Qwen3-8B N=299, p=0.004) provides converging evidence, and the pattern replicates on MATH (DeepSeek-R1-7B: 10.9x suffix-survival recovery). On chains without answer suffixes the same protocol identifies the prefix as load-bearing (Delta=-0.77, p<10^-12). Generation-time probes confirm a dissociation: the answer is not early-determined during generation (early commitment <5%), yet at consumption time model outputs systematically follow the explicit answer text. The format-determination effect persists through 14B (8.5x ratio, p=0.001) and converges toward zero at 32B. We propose a three-prerequisite protocol (question-only control, format characterization, all-position sweep) as a minimum standard for corruption-based faithfulness studies.
Authors: Jon Kleinberg, Charlotte Peale, Omer Reingold
Abstract: We investigate the learning task of language generation in the limit, but shift focus from the traditional time-of-last-mistake metric of a generator's success to a new notion of "mistake-bounded generation." While existing results for language generation in the limit focus on guaranteeing eventual consistency, they are blind to the cumulative error incurred during the learning process. We address this by shifting the goal to minimizing the total number of invalid elements output by a generation algorithm. We establish a formal reduction to the Learning from Correct Demonstrations framework of Joshi et al. (2025), enabling a general recipe for deriving mistake bounds via weighted update rules. For finite classes, we provide an algorithm that simultaneously achieves an optimal last-mistake time of $\mathsf{Cdim}(L)$ and a mistake bound of $\lfloor \log_2 |L| \rfloor$, whereas for the non-uniform setting of countably infinite streams of languages, we prove a fundamental trade-off: achieving logarithmic mistakes $O(\log i)$ necessarily precludes convergence guarantees established in prior work. Finally, we show that our framework can be extended to accommodate noisy adversaries and guarantee mistake bounds that scale with the adversary's suboptimality.
Authors: Daniel Ranard
Abstract: We introduce an automatically generated benchmark for predicting hidden text in technical papers. A paper supplies visible context $X$ and a hidden continuation $Y$; the evaluated model writes an auxiliary forecast string $Z$, and a separate scorer assigns next-token probability to $Y$ both with and without conditioning on $Z$. This gives a label-free test of whether $Z$ transmits information about the continuation, compared against controls where $Z$ is recent context rather than a forecast. Our main testbed is equation-suffix prediction: the predictor sees context and the first part of a displayed equation, then forecasts the rest. The task mixes surface-level arXiv/TeX text modeling with reasoning-sensitive inference; the suffix is one of many roughly equivalent continuations, so the benchmark is read statistically rather than item-by-item. On 1363 equation continuations from 138 recent physics and mathematics papers, forecasts from GPT-5.5, Opus 4.7, and GPT-5.4 nano all improve clipped likelihood over the context control under both Qwen3-8B and Kimi K2.6 scorers, distinguishing model families and reasoning-effort settings without human labels. To emulate shortcuts where $Z$ further primes the scorer rather than making a useful forecast, we also fine-tune the scorer on context-only prompts and apply it to held-out papers as a stronger control. GPT-5.5 forecasts still beat this fine-tuned control; GPT-5.4 nano forecasts do not. Longer prose/TeX continuations show positive but noisier lift over controls, concentrated near the beginning of the target. These results support cross-model likelihood scoring as a static benchmark and as a setup for probing shortcut vulnerabilities before reinforcement learning or model-selection optimization is applied.
Authors: Avik Kar, Siddharth Chandak, Rahul Singh, Soumitra Sinhahajari, Eric Moulines, Shalabh Bhatnagar, Nicholas Bambos
Abstract: We study policy gradient methods for reinforcement learning in non-Markovian decision processes (NMDPs), where observations and rewards depend on the entire interaction history. To handle this dependence, the agent maintains an internal state that is recursively updated to provide a compact summary of past observations and actions. In contrast to approaches that treat the agent state dynamics as fixed or learn it via predictive objectives, we propose a reward-centric formulation that jointly optimizes the agent state dynamics and the control policy to maximize the expected cumulative reward. To this end, we consider a class of Agent State-Markov (ASM) policies, comprising an agent state dynamics and a control policy that maps the agent state to actions. We establish a novel policy gradient theorem for ASM policies, extending the classical policy gradient results from the Markovian setting to episodic and infinite-horizon discounted NMDPs. Building on this gradient expression, we propose the Agent State-Markov Policy Gradient (ASMPG) algorithm, which leverages the recursive structure of the agent state dynamics for efficient optimization. We establish finite-time and almost sure convergence guarantees, and empirically demonstrate that, on a range of non-Markovian tasks, ASMPG outperforms baselines that learn state representations via predictive objectives.
Authors: Jakeb Chouinard
Abstract: Periodic signals are critical for representing physical and perceptual phenomena. Scalar, real angular measures, e.g., radians and degrees, result in difficulty processing and distinguishing nearby angles, especially when their absolute difference exceeds pi. We can avoid this problem by using real-valued, periodic embeddings in high-dimensional space. These representations also allow us to control the nature of their dot product similarities, allowing us to construct a variety of different kernel shapes. In this work, we aim of highlight how these representations can be constructed and focus on the formalization of Dirichlet and periodic Gaussian kernels using the neurally-plausible representation scheme of Spatial Semantic Pointers.
Authors: Alexander Windmann, Philipp Wittenberg, Gianluca Manca, Marcel Dix, Jens U. Brandt, Oliver Niggemann
Abstract: Cyber-physical system (CPS) forecasting models depend on sensor streams with noisy, biased, missing, or temporally misaligned readings, yet standard forecasting evaluation often selects models by nominal error without showing whether they remain robust under such faults. We introduce SensorFault-Bench, a shared CPS-grounded sensor-fault stress-test protocol for evaluating forecasting architectures and robustness-improvement methods, and an operational taxonomy organizing the method comparison. Across four real-world datasets and eight scored scenarios governed by a standardized severity model, it reports worst-scenario degradation, clean mean squared error (MSE), and worst-scenario fault-time MSE, separating relative robustness from absolute error. A disjoint fault-transfer split lets explicit fault-training methods train on adjacent fault families while evaluation uses separate benchmark scenarios. Empirically, forecasting architectures favored by clean MSE can degrade sharply under faults, and clean-MSE rankings can disagree with worst-scenario fault-time error rankings. Chronos-2, the evaluated zero-shot foundation-model representative, matches or trails the last-value naive forecaster in clean MSE on the two single-target datasets and has the largest worst-scenario degradation on ETTh1 and Traffic, where all channels are forecast targets. For the evaluated robustness-improvement method set, paired deltas show selective degradation reductions: projected gradient descent adversarial training and randomized training lead where value faults dominate observed degradation, while fault augmentation leads where availability faults dominate. SensorFault-Bench provides open-source code, documented data access, and reproduction and extension guides, so new datasets, architectures, and robustness-improvement methods can be evaluated under the same CPS sensor-fault robustness protocol.
Authors: Shun Zhang, Yuyang Xiao
Abstract: Reversible instance normalization (RevIN) and its successors (Dish-TS, SAN, FAN) have become the de facto plug-in for time-series forecasting, yet the map they apply to each data point is strictly affine, $x \mapsto ax+b$, so they cannot reshape the underlying distribution -- heavy tails remain heavy and skewness remains uncorrected. We propose NoRIN, a non-linear reversible normalization based on the arcsinh-form Johnson $S_U$ transform with two shape parameters $(\delta,\varepsilon)$ that control tailedness and skewness; the linear $Z$-score used by RevIN is recovered only in the limit $\delta \to \infty$. Training $(\delta,\varepsilon)$ jointly with the backbone via gradient descent reliably pushes them toward this linear limit within a few epochs -- a phenomenon we name the degeneration problem: the forecasting loss is locally indifferent to shape, and the high-capacity backbone compensates for any monotone reparameterization of its input. NoRIN escapes the degeneration by decoupling shape selection from gradient training: $(\delta,\varepsilon)$ are initialized by a closed-form Slifker-Shapiro quantile fit and refined by Bayesian optimization on the validation objective, while the inner training loop is identical to standard RevIN-style training. Across six representative backbones x five real-world datasets x three prediction horizons (90 configurations), decoupled shape optimization recovers $(\delta^\star,\varepsilon^\star)$ that sit systematically far from the linear limit, with values that vary in a backbone-dependent way. This empirically supports the central thesis: different backbones genuinely require different normalization parameters to reach their best performance.
Authors: Mingxu Zhang, Yuhan Li, Lujundong Li, Dazhong Shen, Hui Xiong, Ying Sun
Abstract: Large language models possess strong chemical reasoning capabilities, making them effective molecular editors. However, property-relevant information is implicitly entangled across their dense hidden states, providing no explicit handle for property control: a substantial fraction of edits fail to improve or even degrade target properties. To address these issues, we propose SLIM (Sparse Latent Interpretable Molecular editing), a plug-and-play framework that decomposes the editor's hidden states into sparse, property-aligned features via a Sparse Autoencoder with learnable importance gates. Steering in this sparse feature space precisely activates property-relevant dimensions, improving editing success rate without modifying model parameters. The same sparse basis further supports interpretable analysis of editing behavior. Experiments on the MolEditRL benchmark across four model architectures and eight molecular properties show consistent gains over baselines, with improvements of up to 42.4 points.
Authors: Yixuan Yang, Mehak Arora, Ryan Zhang, Baraa Abed, Junseob Kim, Tilendra Choudhary, Md Hassanuzzaman, Kevin Zhu, Ayman Ali, Chengkun Yang, Alasdair Edward Gent, Victor Moas, Rishikesan Kamaleswaran
Abstract: We present Clin-JEPA, a multi-phase co-training framework for joint-embedding predictive (JEPA) pretraining on EHR patient trajectories. JEPA architectures have enabled latent-space planning in robotics and high-quality representation learning in vision, but extending the paradigm to EHR data -- to obtain a single backbone that simultaneously forecasts patient trajectories and serves diverse downstream risk-prediction tasks without per-task fine-tuning -- remains an open challenge. Existing JEPA frameworks either discard the predictor after pretraining (I-JEPA, V-JEPA) or train it on a frozen pretrained encoder (V-JEPA 2-AC), leaving the encoder unaware of the rollout signal that the retained predictor must use at inference; co-training the encoder and predictor under a shared JEPA prediction objective would supply this grounding, but na\"ive co-training is unstable, with representation collapse and online/target drift causing autoregressive rollout to diverge. Clin-JEPA's five-phase pretraining curriculum -- predictor warmup, joint refinement, EMA target alignment, hard sync, and predictor finalization -- addresses each failure mode by phase, stably co-training a Qwen3-8B-based encoder and a 92M-parameter latent trajectory predictor. On MIMIC-IV ICU data, three independent evaluations support the framework: (1) latent $\ell_1$ rollout drift uniquely converges ($-$15.7%) over 48-hour horizons while baselines and ablations diverge (+3% to +4951%); (2) the encoder learns a clinically discriminative latent geometry (deteriorating-patient cohorts displace 4.83$\times$ further than stable patients in latent space, vs $\leq$2.62$\times$ for baseline encoders); (3) a single backbone outperforms strong tabular and sequence baselines on multi-task downstream evaluation. Clin-JEPA achieves mean AUROC 0.851 on ICareFM EEP and 0.883 on 8 binary risk tasks (+0.038 and +0.041 vs baseline average).
Authors: Michal Valko, Gregory Cooper, Amy Seybert, Shyam Visweswaran, Melissa Saul, Milo\v{s} Hauskrecht
Abstract: Anomaly detection methods can be very useful in identifying unusual or interesting patterns in data. A recently proposed conditional anomaly detection framework extends anomaly detection to the problem of identifying anomalous patterns on a subset of attributes in the data. The anomaly always depends (is conditioned) on the value of remaining attributes. The work presented in this paper focuses on instance-based methods for detecting conditional anomalies. The methods rely on the distance metric to identify examples in the dataset that are most critical for detecting the anomaly. We investigate various metrics and metric learning methods to optimize the performance of the instance-based anomaly detection methods. We show the benefits of the instance-based methods on two real-world detection problems: detection of unusual admission decisions for patients with the community-acquired pneumonia and detection of unusual orders of an HPF4 test that is used to confirm Heparin induced thrombocytopenia - a life-threatening condition caused by the Heparin therapy.
Authors: Yash Akhauri, Mohamed S. Abdelfattah
Abstract: Efficient LLM inference research has largely focused on reducing the cost of each decoding step (e.g., using quantization, pruning, or sparse attention), typically applying a uniform computation budget to every generated token. In practice, token difficulty varies widely, so static compression can over-compute on easy steps and under-compute on hard ones. We study dynamic budget allocation for autoregressive decoding: learning how much computation to spend per token from within a single model. Self-Optimizing Language Models (SOL) pair a frozen LLM with a lightweight policy network that reads the LLM hidden state and selects a discrete efficiency action at each decode step. Actions can jointly control (i) token-level attention sparsity, (ii) structured activation pruning in the MLP, and (iii) activation quantization bit-width, while leaving the base model weights unchanged. We train the policy with group-relative policy optimization on teacher-forced episodes: the token sequence is fixed, while we sample multiple compute schedules (i.e., "counterfactual" schedules that vary only the efficiency actions for the same token path) and compare their likelihoods under the same supervision. Our reward trades off language-model quality against soft penalties that encourage episode-average budget usage to match a requested target. Across model variants and compute regimes, SOL improves quality at matched budget over static allocation and strong random schedule search, offering a complementary axis for inference-efficiency optimization. SOL discovers a better quality-efficiency pareto-front across all our experiments and improves MMLU accuracy by up to 7.3% over uniform budget allocation strategies.
Authors: Edward De Brouwer, Carl Edwards, Alexander Wu, Jenna Collier, Graham Heimberg, Xiner Li, Meena Subramaniam, Ehsan Hajiramezanali, David Richmond, Jan-Christian H\"utter, Sara Mostafavi, Gabriele Scalia
Abstract: Recent advances in machine learning and large-scale biological data collections have revived the prospect of building a virtual cell, a computational model of cellular behavior that could accelerate biological discovery. One of the most compelling promises of this vision is the ability to perform in silico phenotypic screens, in which a model predicts the effects of cellular perturbations in unseen biological contexts. This task combines heterogeneous textual inputs with diverse phenotypic outputs, making it particularly well-suited to LLMs and agentic systems. Yet, no standard benchmark currently exists for this task, as existing efforts focus on narrower molecular readouts that are only indirectly aligned with the phenotypic endpoints driving many real-world drug discovery workflows. In this work, we present AssayBench, a benchmark for phenotypic screen prediction, built from 1,920 publicly available CRISPR screens spanning five broad classes of cellular phenotypes. We formulate the screen prediction task as a gene rank prediction for each screen and introduce the adjusted nDCG, a continuous metric for comparing performance across heterogeneous assays. Our extensive evaluation shows that existing methods remain far from empirically estimated performance ceilings and zero-shot generalist LLMs outperform biology-specific LLMs and trainable baselines. Optimization techniques such as fine-tuning, ensembling, and prompt optimization can further improve LLM performance on this task. Overall, AssayBench offers a practical testbed for measuring progress toward in silico phenotypic screening and, more broadly, virtual cell models.
Authors: Tiberiu Musat
Abstract: Why does weight decay work? We prove that, in any fixed-precision regime, the smallest weight norm of a looped neural network outputting a binary string equals the Kolmogorov complexity of that string, up to a logarithmic factor. This implies that weight decay induces a prior matching Solomonoff's universal prior, the optimal prior over computable functions, up to a polynomial factor. The result is norm-agnostic: in fixed precision, every weight norm collapses to the non-zero parameter count up to constants, so the same sandwich bound holds for any norm used as a regulariser. The proof has two short reductions: any program for a universal Turing machine can be encoded into neural weights at unit cost per program bit, and any fixed-precision network can be described by enumerating its non-zero parameters with logarithmic addressing overhead. Both bounds are tight up to constants, with the logarithmic factor realised by permutation encodings: a network whose parameters encode a permutation produces a string whose Kolmogorov complexity is the non-zero parameter count times its logarithm. The fixed-precision assumption is essential: with infinite precision, neural networks can encode non-computable functions and the weight norm loses its relevance.
Authors: Liang Luo, Yinbin Ma, Quanyu Zhu, Vasiliy Kuznetsov, Yuxin Chen, Jian Jiao, Jiecao Yu, Buyun Zhang, Tongyi Tang, Xiaohan Wei, Yanli Zhao, Zeliang Chen, Yuchen Hao, Venkatesh Ranganathan, Sandeep Parab, Yantao Yao, Maxim Naumov, Chunzhi Yang, Shen Li, Ellie Wen, Wenlin Chen, Santanu Kolay, Chunqiang Tang
Abstract: Recent GPU generations deliver significantly higher FLOPs using lower-precision arithmetic, such as FP8. While successfully applied to large language models (LLMs), its adoption in large recommendation models (LRMs) has been limited. This is because LRMs are numerically sensitive, dominated by small matrix multiplications (GEMMs) followed by normalization, and trained in communication-intensive environments. Applying FP8 directly to LRMs often degrades model quality and prolongs training time. These challenges are inherent to LRM workloads and cannot be resolved merely by introducing better FP8 kernels. Instead, a system-model co-design approach is needed to successfully integrate FP8. We present LoKA (Low-precision Kernel Applications), a framework that makes FP8 practical for LRMs through three principles: profile under realistic distributions to know where low precision is safe, co-design model components with hardware to expand where it is safe, and orchestrate across kernel libraries to maximize the gains. Concretely, LoKA Probe is a statistically grounded, online benchmarking method that learns activation and weight statistics, and quantifies per-layer errors. This process pinpoints safe and unsafe, fast and slow sites for FP8 adoption. LoKA Mods is a set of reusable model adaptations that improve both numerical stability and execution efficiency with FP8. LoKA Dispatch is a runtime that leverages the statistical insights from LoKA Probe to select the fastest FP8 kernel that satisfies the accuracy requirements.
Authors: Mohammadreza Armandpour, Fatih Ilhan, David Harrison, Ajay Jaiswal, Duc N. M Hoang, Fartash Faghri, Yizhe Zhang, Minsik Cho, Mehrdad Farajtabar
Abstract: On-policy distillation offers dense, per-token supervision for training reasoning models; however, it remains unclear under which conditions this signal is beneficial and under which it is detrimental. Which teacher model should be used, and in the case of self-distillation, which specific context should serve as the supervisory signal? Does the optimal choice vary from one token to the next? At present, addressing these questions typically requires costly training runs whose aggregate performance metrics obscure the dynamics at the level of individual tokens. We introduce a training-free diagnostic framework that operates at the highest resolution: per token, per question, and per teacher. We derive an ideal per-node gradient defined as the parameter update that maximally increases the student's probability of success. We then develop a scalable targeted-rollout algorithm to estimate this gradient efficiently, even for long chains of intermediate thoughts. The gradient alignment score, defined as the cosine similarity between this ideal gradient and any given distillation gradient, quantifies the extent to which a particular configuration approximates the ideal signal. Across a range of self-distillation settings and external teacher models, we observe that distillation guidance exhibits substantially higher alignment with the ideal on incorrect rollouts than on correct ones, where the student already performs well and the teacher's signal tends to become noisy. Furthermore, we find that the optimal distillation context depends jointly on the student model's capacity and the target task, and that no single universally effective configuration emerges. These findings motivate the use of per-task, per-token diagnostic analyses for distillation.
Authors: Marcin Kostrzewa, Sebastian Tomczak, Roman Furman, Anna Poberezhna, Micha{\l} Furga{\l}a, Oleksii Furman, Maciej Zi\k{e}ba
Abstract: Corporate bankruptcy prediction is a high-stakes financial task characterized by severe class imbalance and multi-horizon forecasting demands. Public datasets supporting it remain scarce and small: widely used free benchmarks contain between 6,000 and 80,000 company-year observations, while larger resources are behind subscription paywalls. To address this gap, we introduce V4FinBench, a benchmark of over one million company-year records from the Visegr\`ad Group (V4) economies (2006-2021), with 131 financial and non-financial features, six prediction horizons, and a composite distress criterion jointly capturing solvency, profitability, and liquidity deterioration. V4FinBench is designed to support the evaluation of tabular and foundation-model methods under realistic class imbalance, with positive rates between 0.19% and 0.36%. We provide reference evaluations of standard tabular baselines, finetuned TabPFN, and QLoRA-finetuned Llama-3-8B. With imbalance-aware finetuning, TabPFN matches or exceeds gradient boosting at longer time horizons on both $F_1$-score and ROC-AUC. In contrast, Llama-3-8B trails gradient boosting on ROC-AUC at every horizon and is generally weaker on $F_1$-score, with the gap widening sharply beyond the immediate horizon. In an external evaluation on the American Bankruptcy Dataset, the V4FinBench-finetuned TabPFN checkpoint improves over vanilla TabPFN, suggesting that adaptation captures transferable financial-distress structure rather than only V4-specific patterns. V4FinBench is publicly released to support further evaluation and development of prediction methods on realistic financial data.
Authors: Nikita Kezins, Urbas Ekka, Pascal Berrang, Luca Arnaboldi
Abstract: Guardrail Classifiers defend production language models against harmful behavior, but although results seem promising in testing, they provide no formal guarantees. Providing formal guarantees for such models is hard because "harmful behavior" has no natural specification in a discrete input space: and the standard epsilon-ball properties used in other domains do not carry semantic meaning. We close this gap by shifting verification from the discrete input space to the classifier's pre-activation space, where we define a harmful region as a convex shape enclosing the representations of known harmful prompts. Because the sigmoid classification head is monotonic, certifying the worst-case point is sufficient to certify the entire region, yielding a closed-form soundness proof without approximation in O(d) time. To formally evaluate these classifiers, we propose two constructions of such regions: SVD-aligned hyper-rectangles, which yield exact SAT/UNSAT certificates, and Gaussian Mixture Models, which yield probabilistic certificates over semantically coherent clusters. Applying this framework to three author-trained Guardrail Classifiers on the toxicity domain, every hyper-rectangle configuration returns SAT, exposing verifiable safety holes across all classifiers, despite seemingly high empirical metrics. Probabilistic GMM certificates also expose a divergent structural stability in how these models represent harm. While GPT-2 and Llama-3.1-8B maintain robust coverage of 90% and 80% across varying boundaries, BERT's safety guarantees prove uniquely volatile. This 'coverage collapse' to 55% at the optimal threshold reveals a sparsely populated safety margin in BERT, which only achieves full coverage by adopting an extremely conservative pessimistic threshold. These approaches combined, provide new insights on how effective Guardrail Classifiers really are, beyond traditional red-teaming.
Authors: Yaxin Du, Xiyuan Yang, Zhifan Zhou, Wanxu Liu, Zixing Lei, Zimeng Chen, Fenyi Liu, Haotian Wu, Yuzhu Cai, Zexi Liu, Xinyu Zhu, WenHao Wang, Linfeng Zhang, Chen Qian, Siheng Chen
Abstract: As model families, training recipes, and compute budgets become increasingly standardized, further gains in machine learning systems depend increasingly on data. Yet data engineering remains largely manual and ad hoc: practitioners repeatedly search for external datasets, adapt them to existing pipelines, validate candidate data through downstream training, and carry forward lessons from prior attempts. We study task-conditioned autonomous data engineering, where an autonomous agent improves a fixed learning algorithm by optimizing only the data side, including external data discovery, data selection and composition, cleaning and transformation. The goal is to obtain a stronger downstream solution while leaving the learning algorithm unchanged. To address the open-ended search space, branch-dependent refinement, and delayed validation inherent in autonomous data engineering, we propose DataMaster, a data-agent framework that integrates tree-structured search, shared candidate data, and cumulative memory. DataMaster consists of three key components: a DataTree that organizes alternative data-engineering branches, a shared Data Pool that stores discovered external data sources for reuse, and a Global Memory that records node outcomes, artifacts, and reusable findings. Together, these components allow the agent to discover candidate data, construct executable training inputs, evaluate them through downstream feedback, and carry useful evidence across branches. We evaluate DataMaster on two types of benchmarks, MLE-Bench Lite and PostTrainBench. On MLE-Bench Lite, it improves medal rate by 32.27% over the initial score; on PostTrainBench, it surpasses the instruct model on GPQA (31.02% vs 30.35%).
Authors: Alex DeWeese, Guannan Qu
Abstract: This work revisits standard policy gradient methods used on restricted policy classes, which are known to get stuck in suboptimal critical points. We identify an important cause for this phenomenon to be that the policy gradient is itself fundamentally myopic, i.e. it only improves the policy based on the one-step $Q$-function. In this work, we propose a generalized $k$-step policy gradient method that couples the randomness within a $k$-step time window and can escape the myopic local optima in MDPs with restricted policy classes. We show this new method is theoretically guaranteed to converge to a solution that is exponentially close in performance to the optimal deterministic policy with respect to $k$. Further, we show projected gradient descent and mirror descent with this $k$-step policy gradient can achieve this exponential guarantee in $O(\frac{1}{T})$ iterations, despite only assuming smoothness and differentiability of the value function. This will provide near optimal solutions to previously elusive applications like state aggregation and partially observable cooperative multi-agent settings. Moreover, our bounds avoid the ubiquitous distribution mismatch factors $||d_\mu^{\pi^*} / d_\mu^{\pi}||_\infty$ and $||d_\mu^{\pi^*} / \mu||_\infty$ enabling the $k$-step policy gradient method to escape suboptimal critical points that emerge from poor exploration in fully observable settings.
Authors: Usman A. Khan, Joseph W. Durham
Abstract: We consider anonymous multi-agent path finding (MAPF) where a set of robots is tasked to travel to a set of targets on a finite, connected graph. We show that MAPF can be cast as a special class of multi-marginal optimal transport (MMOT) problems with an underlying Markovian structure, under which the exponentially large MMOT collapses to a linear program (LP) polynomial in size. Focusing on the anonymous setting, we establish conditions under which the corresponding LP is feasible, totally unimodular, and consequently, yields min-cost, integral $(\{0,1\})$ transports that do not overlap in both space and time. To adapt the approach to large-scale problems, we cast the MAPF-MMOT in a probabilistic framework via Schr\"odinger bridges. Under standard assumptions, we show that the Schr\"odinger bridge formulation reduces to an entropic regularization of the corresponding MMOT that admits an iterative Sinkhorn-type solution. The Schr\"odinger bridge, being a probabilistic framework, provides a shadow (fractional) transport that we use as a template to solve a reduced LP and demonstrate that it results in near-optimal, integral transports at a significant reduction in complexity. Extensive experiments highlight the optimality and scalability of the proposed approaches.
Authors: Junhao Shen, Teng Zhang, Xiaoyan Zhao, Hong Cheng
Abstract: Large language model agents increasingly rely on external skills to solve complex tasks, where skills act as modular units that extend their capabilities beyond what parametric memory alone supports. Existing methods assume external skills either accumulate as persistent guidance or internalized into the policy, eventually leading to zero-skill inference. We argue this assumption is overly restrictive, since with limited parametric capacity and uneven marginal contribution across skills, the optimal active skill set is non-monotonic, task- and stage-dependent. In this work, we propose SLIM, a framework of dynamic Skill LIfecycle Management for agentic reinforcement learning (RL), which treats the active external skill set as a dynamic optimization variable jointly updated with policy learning. Specifically, SLIM estimates each active skill's marginal external contribution through leave-one-skill-out validation, then applies three lifecycle operations: retaining high-value skills, retiring skills whose contribution becomes negligible after sufficient exposure, and expanding the skill bank when persistent failures reveal missing capability coverage. Experiments show that SLIM outperforms the best baselines by an average of 7.1% points across ALFWorld and SearchQA. Results further indicate that policy learning and external skill retention are not mutually exclusive: some skills are absorbed into the policy, while others continue to provide external value, supporting SLIM as a more general paradigm for skill-based agentic RL.
Authors: Chenyang Song, Weilin Zhao, Xu Han, Chaojun Xiao, Yingfa Chen, Zhiyuan Liu
Abstract: While Mixture-of-Experts (MoE) scales model capacity without proportionally increasing computation, its massive total parameter footprint creates significant storage and memory-access bottlenecks, which hinder efficient end-side deployment that simultaneously requires high performance, low computational cost, and small storage overhead. To achieve these properties, we present DECO, a sparse MoE architecture designed to match the performance of dense Transformers under identical total parameter budgets and training tokens. DECO utilizes the differentiable and flexible ReLU-based routing enhanced by learnable expert-wise scaling, which adaptively balances the contributions of routed and shared experts. Furthermore, we introduce NormSiLU, an activation function that normalizes inputs prior to SiLU operators, producing a more stable trend of routed-expert activation ratio and a higher intrinsic sparsity level. We also identify an empirical advantage in using non-gated MLP experts with ReLU-based routing, indicating the possibility of MoE architecture simplification. Experiments demonstrate that DECO, activating only 20% of experts, matches dense performance and outperforms established MoE baselines. Our specialized acceleration kernel delivers a 3.00$\times$ speedup on real hardware compared with dense inference. Codes and checkpoints are all available at https://github.com/thunlp/DECO.
Authors: Yaman Kindap, Manfred Opper, Benjamin Dupuis, Umut Simsekli, Tolga Birdal
Abstract: Modelling extreme events and heavy-tailed phenomena is central to building reliable predictive systems in domains such as finance, climate science, and safety-critical AI. While L\'evy processes provide a natural mathematical framework for capturing jumps and heavy tails, Bayesian inference for L\'evy-driven stochastic differential equations (SDEs) remains intractable with existing methods: Monte Carlo approaches are rigorous but lack scalability, whereas neural variational inference methods are efficient but rely on Gaussian assumptions that fail to capture discontinuities. We address this tension by introducing a neural exponential tilting framework for variational inference in L\'evy-driven SDEs. Our approach constructs a flexible variational family by exponentially reweighting the L\'evy measure using neural networks. This parametrization preserves the jump structure of the underlying process while remaining computationally tractable. To enable efficient inference, we develop a quadratic neural parametrization that yields closed-form normalization of the tilted measure, a conditional Gaussian representation for stable processes that facilitates simulation, and symmetry-aware Monte Carlo estimators for scalable optimization. Empirically, we demonstrate that the method accurately captures jump dynamics and yields reliable posterior inference in regimes where Gaussian-based variational approaches fail, on both synthetic and real-world datasets.
Authors: Chahana Dahal, Ashutosh Balasubramaniam, Zuobin Xiong
Abstract: Unlearning knowledge is a pressing and challenging task in Large Language Models (LLMs) because of their unprecedented capability to memorize and digest training data at scale, raising more significant issues regarding safety, privacy, and intellectual property. However, existing works, including parameter editing, fine-tuning, and distillation-based methods, are all focused on flat sentence-level data but overlook the relational, multi-hop, and reasoned knowledge in naturally structured data. In response to this gap, this paper introduces Graph Oblivion and Node Erasure (GONE), a benchmark for evaluating knowledge unlearning over structured knowledge graph (KG) facts in LLMs. This KG-based benchmark enables the disentanglement of three effects of unlearning: direct fact removal, reasoning-based leakage, and catastrophic forgetting. In addition, Neighborhood-Expanded Distribution Shaping (NEDS), a novel unlearning framework, is designed to leverage graph connectivity and identify anchor correlated neighbors, enforcing a precise decision boundary between the forgotten fact and its semantic neighborhood. Evaluations on LLaMA-3-8B and Mistral-7B across multiple knowledge editing and unlearning methods showcase NEDS's superior performance (1.000 on unlearning efficacy and 0.839 on locality) on GONE and other benchmarks. Code is available at https://anonymous.4open.science/r/GONE-4679/.
Authors: Olaf Hohm
Abstract: These lecture notes introduce some topics of classical statistical physics, particularly those that are relevant for neural networks and deep learning. Statistical physics is treated as a branch of probability theory or statistics, with the goal of making concepts such as phase transitions and the renormalization group accessible to readers without prior knowledge of physics. We introduce the Boltzmann-Gibbs distribution and the thermodynamic potentials on a finite configuration space, notably for Ising spins and spin-glass models on a lattice, and then define phase transitions as discontinuities that arise in the limit that the number of lattice points goes to infinity. We further introduce Hopfield networks and Boltzmann machines, which are governed by the same energy function as spin-glass models, and discuss the learning algorithm for restricted Boltzmann machines. In this algorithm hidden neurons are integrated out as in the renormalization group. Finally, modern deep learning is introduced, whose early developments were in part motivated by restricted Boltzmann machines in that they carry many layers of hidden neurons. A description of large language models is given.
Authors: Drew Dillon, Kasyap Varanasi
Abstract: AI coding agents powered by large language models can read codebases and produce functional code, but they routinely violate team-specific product decisions that are invisible in the source code alone. We introduce a controlled benchmark measuring decision compliance, the rate at which an AI coding agent follows established product, design, and engineering decisions, across 8 realistic software engineering tasks containing 41 weighted decision points. We compare a baseline configuration (Claude Code with codebase access only) against an augmented configuration that adds Brief, a product-context retrieval system providing spec generation, mid-build consultation, and retrieval of recorded decisions, persona pain points, customer signals, and competitive intelligence. On identical prompts and the same repository, the augmented configuration achieves 95% decision compliance versus 46% for the baseline, a 49 percentage point improvement. Per-decision analysis reveals that the baseline achieves 100% compliance on decisions visible in the codebase and 0-33% on decisions requiring product context, suggesting that product-context retrieval is a key driver of the improvement. We release the benchmark repository, all 16 pull requests, and scoring harness for independent reproduction.
Authors: Wang Xiaoyu, Phong Nguyen, Chen Zhao
Abstract: Wepresent Alice v1, a 14-billion parameter open-source video generation model that achieves state-of-the-art quality through consistency distillation with score regularization (rCM). Contrary to conventional distillation-which trades quality for speed-we demonstrate that rCM-based distillation can exceed teacher model quality. We attribute this to three mechanisms: (1) the score regularization term acts as a mode-seeking objective that concentrates probability mass on high-quality outputs rather than covering the full teacher distribution, (2) our targeted synthetic data pipeline with hard example mining provides training signal specifically for failure modes (physics, hands, faces) that the teacher handles inconsistently, and (3) consistency enforcement acts as implicit regularization, eliminating "lucky path" dependence on specific noise samples. Alice v1 generates 5-second 720p videos at 24fps in 4 denoising steps (~8 seconds on H100), a 7x speedup over the 50-step teacher while improving VBench score from 84.0 (Wan2.2) to 91.2. This surpasses both the teacher and closed-source systems including Veo3 (~90) and Sora2 (~88) on automated benchmarks, with competitive results in human preference studies. We release all model weights, training code, synthetic data pipelines, and evaluation scripts to advance open research in video generation.
Authors: Peng Liao, Shangsong Liang, Lin Chen, Peijia Zheng
Abstract: Inertial Measurement Unit (IMU)-based Human Activity Recognition (HAR) aims to interpret and classify user behaviors from temporal motion signals. Recently, deep learning frameworks have advanced this task by learning and extracting discriminative spatiotemporal representations, significantly improving recognition performance. However, IMU-based HAR still faces several critical challenges, particularly limited training samples and static knowledge utilization, both of which severely hinder its large-scale deployment. In this paper, we introduce MoRA, the first Retrieval-Augmented Module specifically designed for motion series. It can be flexibly integrated into any existing HAR model, enhancing recognition performance while maintaining inference efficiency. To address issues such as information redundancy in retrieval results and rigid fusion strategies, we propose an uncertainty-adaptive fusion unit within MoRA. This unit leverages previous physical knowledge from IMU signals to dynamically adjust the fusion strategy between original outputs and retrieved information, enabling more robust recognition. Extensive experiments on ten real-world datasets demonstrate that MoRA significantly improves the performance of existing IMU-based HAR models, consistently delivering stable and effective gains. The source code of MoRA is available at: https://github.com/liavonpenn/mora.
Authors: Athanasios Papanikolaou, Athanasios Tziouvaras, Pavlos Stoikos, Apostolos Xenakis, Shameem A Puthiya Parambath, George Floros, Enrica Zereik, Ivan Petrovic, Fabio Bonsignorio
Abstract: Early detection of plant diseases is critical for improving crop productivity, while it also facilitates the foundations of precision agriculture. Recent advances in distributed deep learning have enabled plant disease classification models to be trained across geographically distributed agricultural sensing infrastructures. However, deploying such systems in large-scale Internet of Things (IoT) environments, introduces significant challenges related to computational cost, energy consumption, and system efficiency. In this paper, we present a design-space exploration of hierarchical federated learning architectures for plant disease classification, with a particular focus on the trade-offs between predictive performance and energy efficiency. We further introduce a power- and energy-aware optimization framework that enables the systematic evaluation and selection of model-aggregator configurations under varying deployment constraints. The hierarchical federated architecture organizes distributed clients through intermediate aggregation layers, reducing communication and computational overhead. We evaluate multiple convolutional neural network architectures, including EfficientNet-B0, ResNet-50, and MobileNetV3-Large, in combination with different federated aggregation strategies such as FedAvg, FedProx, and FedAvgM. Experimental results demonstrate that different model-aggregator combinations exhibit distinct performance-energy trade-offs. Consequently, we highlight configurations that achieve competitive diagnostic accuracy and significantly reduce system resource requirements.
Authors: Nicholas Tan Jerome, Nadia Aouadi, Christoph Koehler, Suren Chilingaryan, Andreas Kopmann
Abstract: The Karlsruhe Tritium Neutrino Experiment (KATRIN) aims to measure the absolute neutrino mass with unprecedented sensitivity, requiring precise monitoring of the windowless gaseous tritium source, where tritium beta decay occurs. To track variations of the source activity, beta-induced X-ray spectroscopy provides real-time diagnostics. However, traditional drift detection methods struggle with the infrequent and transient nature of instability events in gaseous tritium. This study bridges the gap between state-of-the-art time-series forecasting models and real-world experimental applications by leveraging deep learning to predict the time to stability after instabilities. Unlike standard benchmarking approaches that emphasize algorithmic performance on fixed datasets, we apply forecasting models -- including LSTM, N-BEATS, TFT, NHITS, DLinear, NLinear, TSMixer, and Chronos-LLM -- to complex, large-scale experimental data. Our findings highlight two challenges: learning from sparse instability events and forecasting long time horizons (i.e., predicting hundreds of future points), both of which are ongoing challenges in time-series forecasting and remain active areas of research. This prediction task has direct experimental value by enabling better scheduling and maintenance planning. A reliable forecast of stability time allows for more efficient measurement and task management during stabilization periods. Through model selection, we identified N-BEATS as the top performer, excelling in accuracy and repeatability, demonstrating that deep learning can optimize large-scale physics experiments.
Authors: Yuriel Ryan, Hei Man Ip, Adriel Kuek, Paul Pu Liang, Roy Ka-Wei Lee
Abstract: Current vision language models face hallucination and robustness issues against ambiguous or corrupted modalities. We hypothesize that these issues can be addressed by exploiting the shared information between modalities to compensate for the impaired one. To this end, we analyze multimodal interactions -- redundant (shared), unique (exclusive), and synergistic (emergent) task-relevant information provided by the modalities -- to determine their impacts on model reliability. Specifically, amplifying redundant interactions would increase this exploitable shared information to resolve these issues; yet, modern instruction datasets often eliminate redundancies to prioritize visual grounding. We bridge this gap through a self-captioning workflow featuring a \textsc{Multimodal Interaction Gate}: a mechanism to convert unique interactions into redundant interactions. Our findings suggest that increasing redundancy can reduce visual induced errors by 38.3\% and improve consistency by 16.8\%.
Authors: Ayoub Agouzoul
Abstract: Vision-Language-Action (VLA) models offer a promising path to generalist robot control, but their inference latency causes observation staleness when generated actions are executed asynchronously. Several methods have been proposed concurrently to mitigate this problem: inference-time inpainting (IT-RTC), training-time delay simulation (TT-RTC), future-state-aware conditioning (VLASH), and lightweight residual correction (A2C2). Each takes a fundamentally different approach, but they have so far been evaluated independently with different codebases, base policies, and protocols. We present a systematic comparison of these four methods under controlled conditions. We develop two unified codebases that integrate all methods with harmonized library and dataset versions, and we benchmark them on the Kinetix suite with MLPMixer policies and on the LIBERO manipulation benchmark with SmolVLA, sweeping inference delays up to $d=20$ control steps. A2C2's per-step residual correction is the most effective method on Kinetix, holding above 90% solve rate up to $d=8$, and also leads on LIBERO from $d=4$ onwards. IT-RTC is competitive at low delays but degrades sharply under long chunks ($H=30$) and high delays. TT-RTC is the most robust training-based method: stable across $d_\max$ choices, generalizes beyond its training delay distribution, and adds zero inference overhead. VLASH exhibits a clear low-delay vs. high-delay trade-off governed by the fine-tuning delay range $[0,d_\max]$. Code is available at https://github.com/TheAyos/async-vla-inference
Authors: Daniel Saragih
Abstract: Anatomical mesh segmentation requires models that operate directly on irregular surface geometry while remaining robust to arbitrary patient pose and mesh resolution variation. Existing task-specific mesh and point-cloud methods are not equivariant, and can degrade sharply under test-time perturbation, for example dropping by 25-26 IoU points on intraoral scan segmentation at $40^\circ$ tilt. We present EAMS, an Equivariant Anatomical Mesh Segmentor built on Equivariant Mesh Neural Networks (EMNN), and evaluate it across four clinically distinct tasks spanning edge-, vertex-, and face-level supervision. We combine intrinsic mesh descriptors with anatomy-aware priors, including PCA-derived frames for dental arches and liver surfaces, and augment message passing to provide lightweight global context. Across intracranial aneurysm and intraoral segmentation, EAMS variants are competitive with specialized baselines on unperturbed inputs while remaining stable under geometric perturbations, and on liver surfaces they expose a favorable trade-off between canonical-pose accuracy and rotation robustness. These results show that a lightweight ($<2$M parameters) equivariant framework can deliver robust anatomical mesh segmentation across diverse supervision types without task-specific architectures.
Authors: Honggui Li, Zhengyang Zhang, Dingtai Li, Sinan Chen, Nahid Md Lokman Hossain, Xinfeng Xu, Yinlu Qin, Ruobing Wang, Hantao Lu, Yuting Feng, Maria Trocan, Dimitri Galayko, Amara Amara, Mohamad Sawan
Abstract: The generalization performance (GP) of deep learning-based arbitrary-scale image super-resolution (ASISR) methods is subject to limited training datasets and unlimited testing datasets. It is vitally significant to enhance the GP of the pretrained ASISR models by making full use of the testing samples. The ASISR models usually employ an open-loop architecture from low-resolution (LR) images to super-resolution (SR) images. The degradation model from SR samples to LR samples is known bicubic down-sampling for the classical ASISR, is supposed down-sampling with additive random noise for the blind ASISR, and is learnable for the real-world ASISR. Combining the ASISR and degradation models, it is potentially possible to adopt a closed-loop architecture based on the automatic control theory for strengthening the GP of the ASISR methods. Therefore, this paper proposes a closed-loop architecture, circular ASISR (CASISR), to lift the capability of image reconstruction. A mathematical nonlinear loop equation is established to describe the CASISR, the reasonability of the CASISR is proven by conditional probability theory, and the stability of the CASISR is proven by Taylor series approximation. The first-order and second-order absolute difference images are defined to compare the image reconstruction performance of the ASISR and the CASISR methods. Comprehensive simulation experiments show that the proposed CASISR approach outperforms the eight state-of-the-art ASISR approaches in the quality of image reconstruction. Especially, the proposed CASISR is extraordinarily suitable for fractional SR scale factors and is extremely effective for text and stripe images with drastically changed edges.
Authors: Jordy Dal Corso, Annalena Kofler, Marco Cortellazzi, Lorenzo Bruzzone, Bernhard Sch\"olkopf
Abstract: Radar sounders are electromagnetic instruments that can probe deep into the subsurface of Earth and other planetary bodies by processing the echo of transmitted radar waves. Conventional approaches for analyzing such data rely on approximate assumptions and often produce point estimates that ignore parameter correlations as well as galactic and measurement noise. We propose a simulation-based inference approach to terrain parameter inversion from radar sounder data, where synthetic observations from a GPU-based simulator are used to train a neural network-based density estimator for neural posterior estimation (NPE). By explicitly conditioning on reference surface assumptions, the proposed framework allows systematic evaluation of posterior robustness to reference surface variability. We demonstrate that our NPE model is well calibrated on simulated data and transferable to real Mars radar profiles, where we analyze terrain parameters using literature-informed reference values.
Authors: Hrishikesh Dutta, Roberto Minerva, Reza Farahbakhsh, Noel Crespi
Abstract: Modern IoT and sensor networks generate vast amounts of data, posing significant challenges for storage, transmission, and real-time processing. Traditional approaches, such as compressive sensing and machine learning-based compression, often suffer from computational inefficiencies and irreversible data loss. This paper introduces Information Density as a quantitative metric to support sensor deployment and enable AI-driven virtual sensing. We propose a framework that leverages spatial, temporal and inter-modal correlations among sensor signals to perform sensing tasks even in the absence of physical sensors. Two complementary measures: (i) Phase in Eigen Space and (ii) Mutual Information, are developed to quantify and assess information density, enabling the selection of optimal sensor configurations across both intra-modality and cross-modality scenarios. Validated using real-world data from Madrid's smart city infrastructure, this framework demonstrates the feasibility of replacing physical sensors with virtual ones under bounded error conditions (e.g., achieving $<3.21\%$ mean error with a single sensor). The results highlight the potential for scalable and energy-efficient sensing systems in smart environments.
Authors: Weicai Yan, Xinhua Ma, Wang Lin, Tao Jin
Abstract: Parameter-efficient fine-tuning methods introduce a small number of training parameters, enabling pre-trained models to adapt rapidly to new data distributions. While these methods have shown promising results, they exhibit notable limitations. First, most existing methods operate in the signal space domain, which results in substantial information redundancy. Second, most existing methods utilize fixed prompts or adaptation layers, failing to fully account for the multi-scale characteristics of signals. To address these challenges, we propose the Multi-Scale Frequency Adapter (FreqAdapter), which integrates textual information and performs multi-scale fine-tuning of signals in the frequency domain. Additionally, we introduce a multi-scale adaptation strategy to optimize receptive fields across different frequency ranges, further enhancing the model's representational capacity. Extensive experiments on multimodal models, including CLIP and LLaVA, demonstrate that FreqAdapter significantly improves both performance and efficiency. FreqAdapter improves performance with minimal cost and fast convergence within one epoch. Code is available at https://github.com/Kelvin-ywc/FreqAdapter.
Authors: Bo Ye, Kai Gan, Tong Wei, Min-Ling Zhang
Abstract: Generalized Category Discovery (GCD) seeks to identify novel categories from unlabeled data while retaining the classification ability of seen categories. Prior GCD methods commonly leverage transferable representations from pre-trained models, adapting to downstream datasets via partial fine-tuning (updating only the final ViT block) and visual prompt tuning (appending learnable vectors to inputs). However, conventional partial fine-tuning offers limited flexibility, as it fails to adapt the entire model; meanwhile, visual prompt tuning is prone to overfitting, due to its sensitivity to initialization and inherently constrained capacity. To address these limitations, we propose LAGCD, a simple yet effective GCD approach that embeds a residual linear adapter into each ViT block. From the perspective of feature sparsity, we systematically show that non-linearity in conventional adapters impairs performance, whereas our linear adapter enhances it by enabling more flexible model capacity. We further introduce an auxiliary distribution alignment loss to mitigate the negative impact of biased predictions between seen and novel categories. Extensive experiments on both generic and fine-grained datasets confirm that LAGCD consistently improves performance over many sophisticated baselines. The source code is available at https://github.com/yebo0216best/LAGCD
Authors: Wei-Ping Huang, Chee-En Yu, Guan-Ting Lin, Hung-yi Lee
Abstract: Test-Time Adaptation (TTA) via entropy minimization (EM) has proven effective for classification tasks, yet its application to generative autoregressive models remains theoretically fragmented. Existing approaches typically rely on distinct heuristics, such as teacher forcing with pseudo labels or policy-gradient-based reinforcement learning, without a unified mathematical foundation. In this work, we resolve this discrepancy by deriving a rigorous formulation of EM tailored to autoregressive models. We show that the exact objective naturally decomposes into a token-level policy gradient loss and a token-level entropy loss, and we reinterpret prior methods as partial realizations of this unified formulation. Using Whisper ASR as a testbed, we demonstrate that our approach consistently improves performance across more than 20 diverse domains, including acoustic noise, accents, and multilingual settings.
Authors: Philip Franz, Max von Danwitz, Gregory Duth\'e, Alexander Popp, Eleni Chatzi
Abstract: The increasing flexibility of modern large wind turbine blades necessitates cost-efficient and reliable structural monitoring solutions. For this purpose, we propose to use aerodynamic pressure measurements obtained via Aerosense, a novel, non-intrusive and economical sensing system. In former work [Franz et al., 2025], we investigated the potential of aerodynamic pressure measurements for structural damage detection on elastic and aerodynamically loaded structures. An experimental campaign was conducted on a NACA 633418 airfoil mounted on a vertically vibrating cantilever beam within an open wind tunnel. Structural damage was introduced progressively through controlled saw cuts near the beam support. Aerodynamic pressure distributions were recorded under varying inflow conditions and structural states. Based on this data set, we developed a convolutional neural network to detect structural damage and classify its severity using only aerodynamic pressure signals. The results demonstrate that pressure measurements can effectively enable real-time detection and quantification of damage in elastic, beam-like structures subjected to mildly turbulent flow and varying operational conditions. Recognizing the limitations of pure black-box classification, in this study, we further incorporate physics-based insights and explainable machine learning methods to interpret how structural damage influences both the dynamic response and the aerodynamic pressure field. This leads to an enhanced damage detection pipeline, aiming to improve transparency, robustness, and physical consistency in data-driven monitoring of elastic, aerodynamically loaded structures.
Authors: Varad Vishwarupe, Nigel Shadbolt, Marina Jirotka, Ivan Flechais
Abstract: Frontier AI safety claims - published assertions that a highly capable general-purpose model is below a threshold of concern, adequately mitigated, or suitable for release - increasingly shape model deployment, governance, and public trust. Yet the artefacts needed to evaluate them are routinely withheld, producing an evidential inversion: the most consequential claims in AI safety are often the least reproducible. This position paper argues that NeurIPS should require reproducibility standards for papers making such claims, treating non-reproducibility not as a transparency preference but as an evaluation-methodology failure. The 2026 International AI Safety Report [Bengio et al., 2026] concludes that reliable pre-deployment safety testing has become harder to conduct and that models now distinguish test from deployment contexts; the 2025 Foundation Model Transparency Index [Wan et al., 2025] reports a sector-average transparency score of 40/100 with no major developer adequately disclosing train-test overlap; contemporaneous measurement-theory work shows that attack-success-rate comparisons across systems are often founded on low-validity measurements [Chouldechova et al., 2025]. We propose a three-tier disclosure framework, distinguishing public, controlled, and claim-restricted disclosure, paired with a mandatory claim inventory, scope statements, and a phased implementation path with graduated sanctions. The framework treats secrecy and openness as endpoints of a spectrum, with controlled review (via a federated colloquium of qualified secure-review hosts) covering claims whose artefacts cannot be released publicly, and right-scaling claims whose artefacts cannot be reviewed even confidentially. The standard the community applies to its most consequential claims should be at least as high as the standard it applies to its least.
Authors: Maedeh H. Toosi, Siamak Mohammadi
Abstract: Cardiovascular disease remains the leading cause of death globally, underscoring the need for effective, accessible monitoring solutions, particularly through wearable devices that enable continuous, real-time tracking of heart rhythms in home settings. However, deploying deep learning models trained on clinical electrocardiogram (ECG) datasets to wearable devices remains challenging, as differences in recording equipment, signal quality, and patient populations introduce domain shifts that degrade model performance. We propose a hybrid transformer model that processes continuous ECG signals alongside seven heart rate variability (HRV) features, where the raw signal path captures beat-level morphological patterns and the HRV path encodes rhythm regularity statistics, allowing the model to jointly leverage complementary information from both representations. To enhance the model's ability to generalize across domains, we employ representation learning techniques, including Maximum Mean Discrepancy (MMD), a non-parametric kernel-based metric that quantifies the distance between feature distributions of different domains, to align feature distributions between source and target domains, addressing the challenge of domain shifts between public datasets and wearable device data. By leveraging five public ECG datasets for training, the model learns robust, generalized representations that mitigate domain-specific biases. When tested on wearable device data with an unseen domain, the model achieved an F1-macro 95% and balanced accuracy of 96.15%. These results demonstrate minimal performance degradation, with only a 2% drop in F1-macro compared to seen-domain evaluation, highlighting the model's generalization capabilities and its potential for reliable, real-time heart monitoring applications in home and ambulatory settings.
Authors: Logan Mann, Ajit Saravanan, Ishan Dave, Shikhar Shiromani, Saadullah Ismail, Yi Xia, Emily Huang
Abstract: A pervasive intuition holds that vision-language models (VLMs) are most trustworthy when their attention maps look sharp: concentrated attention on the queried region should imply a confident, calibrated answer. We test this Attention-Confidence Assumption directly. We instrument three open-weight VLM families (LLaVA-1.5, PaliGemma, Qwen2-VL; 3-7B parameters) with a unified mechanistic pipeline -- the VLM Reliability Probe (VRP) -- that compares attention structure, generation dynamics, and hidden-state geometry against a single correctness label. Three results emerge. (i) Attention structure is a near-zero predictor of correctness (R_pb(C_k,y)=0.001, 95% CI [-0.034,0.036]; R_pb(H_s,y)=-0.012, [-0.047,0.024] on a pooled n=3,090 split), even though attention remains causally necessary for feature extraction (top-30% patch masking drops accuracy by 8.2-11.3 pp, p<0.001). (ii) Reliability becomes legible later in the computation: a single hidden-state linear probe reaches AUROC>0.95 on POPE for two of three families, and self-consistency at K=10 is the strongest behavioral predictor we measure at 10x inference cost (R_pb=0.43). (iii) Causal neuron-level ablations expose a sharp architectural split with direct monitor-design implications: late-fusion LLaVA concentrates reliability in a fragile late bottleneck (-8.3 pp object-identification accuracy after top-5 probe-neuron ablation), whereas early-fusion PaliGemma and Qwen2-VL distribute it widely and absorb destruction of ~50% of their peak-layer hidden dimension with <=1 pp degradation. The takeaway is narrow but consequential: in 3-7B VLMs, reliability is read more reliably off hidden-state geometry, layer-wise margin formation, and sparse late-layer circuits than off attention-map sharpness.
Authors: Prasenjit Dhara, Daniel Romero
Abstract: Channel-gain maps provide the channel gain between any two locations in a geographical region. They find numerous applications, from resource allocation and interference control to path planning for autonomous vehicles. Channel-gain map estimation (CGME) is considerably more challenging than conventional radio map estimation (RME) because channel-gain maps are functions over a 6-dimensional input space. This calls for specialized methods, which currently rely on the (inaccurate) radio tomographic model or require a prohibitively large number of measurements since they do not exploit any spatial structure. This paper overcomes this issue by leveraging spatial patterns that channel-gain maps exhibit across environments, as dictated by the laws of physics and typical environmental characteristics (e.g. building materials and layouts). Adopting a metalearning perspective, a transformer-based estimator is proposed to implicitly learn this common structure from measurements collected in multiple environments. This enables CGME in new environments from significantly fewer measurements (five times less in our experiments). To maximize learning efficiency, the transformer is composed with a feature map that enforces the invariances of CGME, such as those following from reciprocity. Numerical experiments corroborate the merits of the proposed estimator relative to existing methods.
Authors: Sangwu Park, Wonjoong Kim, Yeonjun In, Sein Kim, Hongseok Kang, Chanyoung Park
Abstract: Visual Foresight VLA (VF-VLA) has become a prominent architectural choice in the recent VLA due to its impressive performance. Nevertheless, the inherent design of VF-VLA makes it particularly vulnerable to out-of-distribution (OOD) shifts. Because the quality of action directly depends on the accuracy of the predicted future visual information, OOD conditions affect both stages at once. To address this vulnerability, we propose Test-Time Training Visual Foresight VLA ($T^3$VF), a test-time training approach motivated by the observation that the predicted future image and its subsequent observation form a natural supervision pair. To further address the practical challenges that arise from indiscriminate test-time updates, we introduce an adaptive update filtering mechanism. Empirically, $T^3$VF mitigates the OOD vulnerability of VF-VLA at a modest additional inference cost, without requiring any architectural modification or auxiliary modules.
Authors: Tommaso Dreossi, Christopher M. Bryant, Hao Liu, Nathan Mirman, Noah Kessler, Michael Frei, Harish Krishnaswamy
Abstract: Inverse design of RF passive components from S-parameters is a high-dimensional, ill-posed problem, and prior generative approaches are limited to single-layer binary-metallization structures. This paper presents an inverse design approach that generates passive components from partial S-parameter inputs on an $8\times8$ mm board discretized at $64\times64$ pixels with sub-pixel grayscale metallization across 1-20 GHz. The framework generates two-layer copper layouts with vias, with hard physical constraints on feed locations enforced through annealed Langevin projection, flexible multi-modal conditioning on partial S-parameter specifications, port locations, dielectric properties, reference topology, and variable port placement. Candidate designs are generated in seconds, with surrogate-predicted S-parameters matching targets to within $0.77 \pm 1.28$ dB weighted mean absolute error. We validate the approach with two fabricated designs on RO4003C: a manufacturable alternative to a hairpin filter whose coupling gaps violate fabrication rules, and a combline bandpass filter designed from scratch given only target S-parameters.
Authors: Farhana Yasmin, Mahade Hasan, Haipeng Liu, Amjad Ali, Ghulam Muhammad, Yu Xue
Abstract: Cardiac magnetic resonance (CMR) segmentation underpins quantitative assessment of ventricular structure and function, yet reliable delineation remains difficult due to low tissue contrast, fuzzy boundaries, and inter scan variability. We present CardiacNAS, an evolutionary neural architecture search (NAS) framework that couples a UNet like supernet with a cardiac aware search space spanning depth width, kernel size, filter size, attention, fusion, activation, dropout, and residual scaling. The search is explicitly resource aware, jointly optimizing dice similarity coefficient (DSC) and 95th percentile Hausdorff distance (HD95) versus model size and floating point operations (FLOPs) under fixed compute budgets. Candidate architectures are instantiated from the supernet, trained with proxy budgets, and evolved through crossover, mutation, and elitist selection. We evaluate on the ACDC dataset and compare against six state of the art methods, using qualitative comparisons, learning curve analyses, and design factor correlation studies. The resulting model attains 93.22% average DSC and 4.73 mm HD95 with 3.58M parameters and 14.56 GFLOPs, demonstrating a favorable accuracy efficiency trade off. Analyses indicate that searched attention and fusion choices, together with residual scaling, contribute to improved boundary fidelity and stability. CardiacNAS offers a principled, resource aware approach to deployable CMR segmentation with transparent reporting of architectural complexity and compute budgets.
Authors: Wing Yi Yu, Chun Yin Chiu
Abstract: Clinical dietary assessment can generate detailed but high-dimensional nutrient and food-group information that is difficult to translate quickly into counselling priorities. This paper proposes an explainable unsupervised-to-supervised machine learning framework for discovering, reproducing and interpreting dietary patterns using public UK National Diet and Nutrition Survey data. Adult participants aged 19 years and above from NDNS Years 12-15 were represented using 25 energy-adjusted nutrient and food-group features. K-means, Gaussian Mixture Models and Agglomerative Clustering were compared across k = 2-8, with stability and dietetic interpretability used alongside internal validation metrics. The selected K-means k = 4 solution identified four interpretable dietary patterns: high fat/meat and sodium, higher fibre fruit-vegetable micronutrient, high free-sugar snacks and sugary drinks, and dairy/cereal calcium-rich saturated-fat. A supervised surrogate classifier reproduced held-out cluster membership with high test performance (macro-F1 = 0.963), but was interpreted only as an explanatory surrogate rather than as an independent clinical prediction model. SHAP analysis linked predictions to dietetically meaningful drivers, suggesting potential value for dietitian-in-the-loop assessment, counselling prioritisation and follow-up monitoring.
Authors: Gabriel Bathie, Baptiste Mouillon, Nathana\"el Fijalkow
Abstract: Synthesizing Mixed-Boolean Arithmetic (MBA) expressions from input-output examples is central to program deobfuscation and also useful for compiler optimization, reverse engineering, and cryptanalysis. Existing MBA synthesizers are typically CPU-based and scale poorly on large specifications or complex targets. Recent GPU-accelerated synthesis methods achieve large speedups in qualitative settings, but they depend on caching observationally equivalent candidates; this strategy breaks down for MBA because candidate outputs are quantitative bitvectors and the behavioral space is enormous. We present SIMBA (Synthesis of Mixed-Boolean Arithmetic), a GPU-accelerated MBA synthesizer built around cache-free bottom-up enumeration. SIMBA avoids language caches entirely and uses a GPU-oriented enumeration design that keeps work local and highly parallel. In experiments, SIMBA is substantially faster than prior MBA synthesis tools, handles larger specifications, and reaches expression sizes that existing methods fail to solve. These results establish cache-free GPU synthesis as a practical and scalable approach for quantitative domains, and identify it as a strong alternative to cache-centric designs.
Authors: Pravin Kumar, Mritunjay Shall Peelam, Ramakant Kumar, Sanjay Kumar, Vinay Chamola
Abstract: Railway track intrusions pose a critical safety challenge for Indian Railways, encompassing wildlife incursions and deliberate malicious obstructions. The December 2025 collision in Assam, in which seven elephants were killed by the Rajdhani Express, underscores the urgency of effective real-time detection. Existing solutions such as the optical fiber-based Gajraj system suffer from prohibitive costs (\$1000/km) and high false alarm rates, limiting deployment to only 20 of India's 101 elephant corridors. This paper proposes NETRA, a cost-effective, internet-independent intrusion detection system deployed on Raspberry Pi Zero W and Raspberry Pi 4 edge platforms. NETRA employs probabilistic sensor fusion integrating a PIR motion sensor and an HC-SR04 ultrasonic distance sensor with a tunable threshold (tau_c = 0.65), enabling event-driven camera activation that reduces unnecessary visual processing by 52%. Upon confirmed intrusion, edge-AI classification using MobileNet-SSD (Pi Zero) or YOLOv5 ONNX (Pi 4) identifies threats including humans, large animals, and track obstructions. Confirmed threats are transmitted via LoRa (868 MHz) to alert the locomotive driver within 2.4 seconds end-to-end. Experimental evaluation across 113 motion events demonstrated 95% detection accuracy with zero false alarms through probabilistic fusion, compared to 85% for binary methods. Raspberry Pi 4 with YOLOv5 achieved 83.5% elephant F1-score, a 5.6x improvement over Pi Zero's heuristic approach (14.8%). LoRa communication achieved 100% packet delivery across 1-2 km in field trials. NETRA reduces deployment cost by 75% (\$247/km vs \$1000/km for Gajraj) while providing unified detection of both wildlife and obstruction threats.
Authors: Saisai Hu
Abstract: Motivated by the challenge to improve the adversarial robustness, security, and trust of medical decision making intelligent agents, this study develops a full-link security enhancement framework, which describes "input risk perception - medical evidence constraint - knowledge consistency verification - decision confidence reweighting - security output control - adversarial feedback update." We propose ARSM-Agent and define a weighted joint objective consisting of decision accuracy loss, adversarial robustness loss, safety refusal loss, and knowledge consistency loss, with weights of 0.3, 0.3, 0.2, and 0.2, respectively. The whole medical decision formulation is implemented by multi-module collaborative linkage. We verify that the algorithm is more efficient than four baselines, including LLM-Agent, Retrieval-Agent, Filter-Agent, and Adv-Train-Agent. Under semantic perturbation, prompt injection, drug-name confusion, and false-evidence attacks, ARSM-Agent reduces the overall attack success rate to 8.7% and achieves a knowledge consistency score of 0.91. Ablation experiments quantify each module's contribution: removing risk perception, evidence retrieval, consistency verification, and confidence reweighting reduces accuracy by 6.7%, 9.1%, 7.6%, and 4.4%, respectively, and increases attack success rate by 13.8%, 11.1%, 8.6%, and 6.9%. The proposed approach addresses key security issues of medical decision making intelligent agents, obtains secure decision making in challenging scenarios, and provides reliable intelligent support for medical decision-making intelligent agents.
Authors: Kyle Loh, Yu Xiang
Abstract: This work studies decentralized novelty detection with global false discovery rate (FDR) control across heterogeneous composite null distributions, without sharing the raw data due to privacy and bandwidth considerations. We propose a framework based on the exchange of quantized surrogate models, allowing independent agents to share low-precision representations of locally learned non-conformity score functions. We prove that evaluating data against these quantized composite scores preserves conditional exchangeability, providing rigorous finite-sample guarantees for global FDR control. Empirical studies on synthetic datasets confirm our theoretical results, demonstrating that the proposed approach maintains competitive statistical power while drastically reducing the communication cost.
Authors: Miriam Senne, Benjamin D. Killeen, Tony Wang, Nassir Navab
Abstract: Body composition assessment (BCA) provides detailed information about the distribution of different tissue types in the body, enabling more precise characterization of individuals than BMI or weight alone. Consistent and frequent BCA would be valuable for personalized medicine, but the gold standard methods for BCA, such as CT and MRI, are only practical for opportunistic monitoring of patients with clinical indications for imaging and are not suitable for routine use in the general population. Here, we consider an imaging modality which is not currently used in medical applications: millimeter wave (mmWave) radar. Commonly used in security settings, mmWave scans enable fast, non-intrusive, and privacy-preserving reconstruction of full body shape without the need to remove clothing. To demonstrate the feasibility of fast and convenient BCA from mmWave scans, we present a method for BCA value regression using a multi-task learning strategy that leverages synthetic mmWave-like point clouds derived from clinical imaging and parametric human models. We evaluate the model on a pilot cohort of real mmWave scans with bioimpedance-derived body fat measurements, supporting the feasibility of estimating VAT and body fat percentage (BFP) from mmWave data acquired through clothing in a standing posture. We find that the model can predict VAT and BFP with a mean absolute error of 1.0 L and 3.2\%, respectively, demonstrating the potential of mmWave scanning for routine BCA in a wide range of settings.
Authors: Ziyang You, Xiaoke Yang, Zhanling Fan, Feng Guo, Xiaogen Zhou, Xuxing Lu
Abstract: Large language models (LLMs) rely on deterministic pseudorandom number generators (PRNGs) for autoregressive sampling, creating a critical supply-chain attack surface overlooked by existing defenses. We present SeedHijack, a backdoor attack that manipulates PRNG outputs to force attacker-specified token selection without altering model logits. In a 540-trial benchmark on GPT-2 (124M), the attack achieves 99.6% exact token injection across 9 sampling configurations; it reaches 100% success on four aligned models (1.5B-7B, RLHF/SFT/reasoning distillation) and bypasses all alignment methods tested in this work. We further propose a defense based on a hardware quantum random number generator (QRNG), which neutralizes the attack in our evaluated threat model with negligible median overhead (+0.6% latency, +7.7 MB memory). Our work identifies a critical sampling-layer vulnerability and provides a practical, deployable QRNG-based defense.
Authors: Debashis De, Mahua Nandy Pal, Dipankar Hazra
Abstract: Diabetic Retinopathy (DR) is a common complication of diabetes that can lead to blindness of people. Detecting DR at the earliest stage is essential to prevent irreversible eye damage. Microaneurysm dots are the first signs of DR. As the dots are tiny and of low contrast, detecting mild DR is a very challenging task. Federated learning (FL) preserves data privacy, which is a major concern for medical image processing. FL is a collaborative learning method, which shares only the model parameters with a server, without sharing the patient data to a central server. Inspired by classical FL, we propose a federated learning-based quantum neural network (federated QNN) for this task. We implemented the models with limited samples and few learnable parameters from the E-ophtha and Retina MNIST datasets. The crossevaluation efficiency of the proposed federated quantum neural network system for privacy-preserving early detection of diabetic retinopathy (FQPDR) in Kaggle dataset images indicates the robustness of the light weight learning models. FQPDR performances are inspiring while considering existing non-FL and FL methods.
Authors: Rajdeep Singh Hundal, Yan Xiao, Jin Song Dong, Manuel Rigger
Abstract: Many vision datasets now provide segmentation masks in addition to annotated images to support a wide range of tasks. In this work, we propose Class Activation Map Attention Learning (CAMAL), an efficient and scalable method that utilizes segmentation masks to improve attention alignment and faithfulness in vision models. Specifically, attention alignment refers to the degree to which a model's attention aligns with ground-truth discriminative regions, while attention faithfulness refers to the degree to which a model's attention influences its decision. Improving both attention alignment and faithfulness is essential for ensuring that model attention is both spatially accurate and causally meaningful. To improve attention alignment and faithfulness in vision models, CAMAL first extracts the model's attention for each image during training and then compares the attention to ground-truth discriminative regions obtained from the corresponding segmentation masks. CAMAL then acts as an auxiliary regularizer, encouraging attention that aligns with ground-truth discriminative regions, while suppressing attention elsewhere. We evaluated CAMAL across two learning paradigms -- Deep Learning (DL) and Deep Reinforcement Learning (DRL) -- and observed consistent, significant improvements in both attention alignment and faithfulness. In particular, CAMAL yields statistically significant gains in attention alignment across all settings, and improves attention faithfulness by over 35% compared to recent work. Moreover, we show that improved attention alignment and faithfulness enhance explainability, while yielding improved or comparable generalization performance without increasing inference cost. These findings demonstrate that the spatial information contained within segmentation masks can be effectively leveraged to guide model attention across learning tasks.
Authors: Yuhao Li, Shengchao Liu
Abstract: Debates about large language model post-training often treat supervised fine-tuning (SFT) as imitation and reinforcement learning (RL) as discovery. But this distinction is too coarse. What matters is whether a training procedure increases the probability of behaviors the pretrained model could already produce, or whether it changes what the model can practically reach. We argue that post-training research should distinguish between capability elicitation and capability creation. We make this distinction operational by introducing the notion of accessible support: the set of behaviors that a model can practically produce under finite budgets. Post-training that reweights behaviors within this support is capability elicitation; whereas changing the support itself corresponds to capability creation. We develop this argument through a free-energy view of post-training. SFT and RL can both be seen as reweighting a pretrained reference distribution, only with different external signals. Demonstration signals define low-energy behavior for SFT, and reward signals define low-energy behavior for RL. When the update remains close to the base model, the main effect is local reweighting, not capability creation. Within this framework, the central question is no longer whether post-training is framed as SFT or RL, but whether it reweights behaviors already within reach, or instead expands the model's reachable behavioral space through search, interaction, tool use, or the incorporation of new information.
Authors: Jonathon Hirschi, Jan Mandel, Adam Kochanski
Abstract: This paper proposes a time-warping transfer learning method, a technique for temporally rescaling the learned dynamics of a recurrent neural network (RNN) with a Long Short-Term Memory (LSTM) layer to enable task transfer across fuel moisture classes. Fuel moisture content (FMC) is divided into idealized classes based on characteristic lag time. Large quantities of real-time data are available for 10h fuels from sensors on weather stations, but observations of other fuel classes are sparse in space and time. We use transfer learning to adapt an RNN pretrained on 10h FMC to predict FMC for 1h, 100h, and 1000h fuels. We validate this method using data from a landmark field study conducted in Oklahoma that was used to calibrate the state-of-the-art Nelson fuel moisture model.
Authors: Jonas Linkerh\"agner, Michele Bortolasi, Lorenzo Baldassari, Maarten V. de Hoop, Ivan Dokmani\'c
Abstract: Dynamics of interacting systems in engineering, society, and nature often evolve over latent networks that govern which entities can interact. We study the problem of inferring these networks from event-based observations, which arise naturally in finance, seismology, and neuroscience. While there is substantial algorithmic work addressing this important problem, theoretical results are scarce. In this paper we ask the following fundamental question: what is the minimum time that one must observe the dynamics in order to exactly recover the underlying network, as a function of the number $d$ of interacting entities? For a class of stationary Hawkes processes with sparse, weak interactions, we prove that an observation time of order $\log d$ is sufficient and necessary. For the upper bound we construct a two-stage estimator that uses clipped and binned event data for screening, followed by a least-squares refinement, and apply concentration bounds derived from the Poisson cluster representation. For the lower bound we combine Fano's inequality with Jacod's Girsanov formula for point processes on a suitable subclass of networks.
Authors: Katharine Kowalyshyn, Timothy Duggan, Daniel Little, Michael C Hughes
Abstract: How do LLMs learn in-context? Is it by pattern-matching recent tokens, or by inferring latent structure? We probe this question using a toy graph random-walk across two competing graph structures. This task's answer is, in principle, decidable: either the model tracks global topology, or it copies local transitions. We present two lines of evidence that neither account alone is sufficient. First, reconstructing the internal representation structure via PCA reveals that at intermediate mixture ratios, both graph topologies are encoded in orthogonal principal subspaces simultaneously. This pattern is difficult to reconcile with purely local transition copying. Second, residual-stream activation patching and graph-difference steering causally intervene on this graph-family signal: late-layer patching almost fully transfers the clean graph preference, while linear steering moves predictions in the intended direction and fails under norm-matched and label-shuffled controls. Taken together, our findings are most consistent with a dual-mechanism account in which genuine structure inference and induction circuits operate in parallel.
Authors: Nicholas Caputo
Abstract: Jurisprudence, the study of how judges should properly decide cases, and alignment, the science of getting AI models to conform to human values, share a fundamental structure. These seemingly distant fields both seek to predict and shape how decisions by powerful actors, in one case judges and in the other increasingly powerful artificial intelligences, will be made in the unknown future. And they use similar tools of the specification and interpretation of language to try to accomplish those goals. The great debates of jurisprudence, about what the law is and what it should be, can provide insight into alignment, and lessons from what does and does not work in alignment can help make progress in jurisprudence. This essay puts the two fields directly into conversation. Drawing on leading accounts of jurisprudence, particularly Dworkin's principle-oriented interpretivism and Sunstein's positivist account of law as analogical reasoning, and on cutting-edge alignment approaches, namely Constitutional AI and case-based reasoning, it illustrates the value of a more sophisticated legally-inspired approach to the interplay of rules and cases in finetuning alignment and points to ways that AI can provide a better understanding of how the law works and how it can be improved by the introduction of AI. AI systems and the law should operate to empower people to act in the world, helping to expand their capabilities and the extent to which they are able to achieve their goals. As AI continues to improve in capacity, and as the constraints that legal theory places on human judges seem be coming undone, the conversation between these two fields will become increasingly essential and may help point to a better version of both.
Authors: Gabriele La Malfa, Emanuele La Malfa, Saar Cohen, Jie M. Zhang, Michael Luck, Michael Wooldridge, Elizabeth Black
Abstract: Self-play red team is an established approach to improving AI safety in which different instances of the same model play attacker and defender roles in a zero-sum game, i.e., where the attacker tries to jailbreak the defender; if self-play converges to a Nash equilibrium, the model is guaranteed to respond safely within the settings of the game. Although the parameter sharing enforced by the use of the same model for the two roles improves stability and performance, it introduces fundamental theoretical and architectural limitations. We show that the set of Nash equilibria that can be reached corresponds to a broad class of behaviours that includes trivial always refuse strategies and oracle-like defenders, thus limiting practical applicability. We then show that when attacker and defender share and update the same base model, the dynamics collapse to self-consistency, so that attacks do not enforce adversarial pressure on the defender. In response, we propose Anchored Bipolicy Self-Play, which trains distinct role-specific LoRA adapters on top of a frozen base model, thereby maintaining stable optimisation while preserving adversarial pressure through explicit role separation. In relation to standard self-play, we show up to 100x greater parameter efficiency than finetuning and consistent improvements in safety compared to self-play fine-tuned models. We evaluate on Qwen2.5-{3B, 7B,14B}-IT models across widely used safety benchmarks, showing improved robustness without loss of reasoning ability. Cross-play experiments further show that our attacker and defender models are superior to self-play in terms of adversarial defence and safety.
Authors: Nicholas Brawand, Nima Leclerc, Anhthy Ngo, Matthew Peterson, Sriram Vishwanath, Laith Alhussein, Ben Wellner
Abstract: Post-deployment monitoring of healthcare AI requires statistically valid, label-efficient methods, but gold-standard labels from clinician chart review are expensive. Prediction-powered inference (PPI) and active statistical inference (ASI) reduce label cost by combining a small labeled sample with abundant model predictions, but both are restricted to a single predictor, a poor fit for modern clinical pipelines that have multiple predictors of differing cost and accuracy available at inference time. We propose Active Multiple-Prediction-Powered Inference (AM-PPI), which routes each instance to a cost-appropriate predictor subset, samples gold-standard labels in proportion to the chosen subset's residual uncertainty, and reweights predictions to minimize estimator variance, all under a single deployment-time budget. AM-PPI generalizes ASI to leverage multiple predictors and extends Multiple-PPI from global per-predictor allocation to per-instance adaptive routing. We derive closed-form Karush-Kuhn-Tucker (KKT) conditions for all three decisions and prove, via biconvexity and strong duality, that the resulting fixed point is a global optimum despite the joint problem being non-jointly-convex. We establish asymptotic normality with valid coverage, minimum-variance unbiasedness within the linear-prediction augmented inverse propensity weighted (AIPW) class, and a closed-form criterion identifying when multiple predictors help. On synthetic data and three healthcare monitoring tasks, AM-PPI produces 10 to 40 percent narrower confidence intervals (CIs) than single-predictor ASI in the budget regime where routing matters, and matches the better baseline elsewhere.
Authors: Jun Wen Leong
Abstract: Persistent memory attacks against LLM agents achieve high attack success rates against open-source models. In these attacks, malicious instructions injected via RAG-retrieved documents are stored in persistent memory and executed in later sessions. However, no systematic evaluation of defense effectiveness against this attack class exists. We evaluate six defenses across four architectural layers against delayed-trigger attacks on nine open-source models (5,040 runs, N=40 per condition). Four defenses fail at approximately baseline attack success rate: input-level filtering (Minimizer, Sanitizer) and retrieval-level filtering (RAG Sanitizer, RAG LLM Judge) achieve 88-89% ASR, statistically indistinguishable from the undefended baseline of 88.6%. Prompt Hardening partially fails at 77.8% ASR, with the reduction driven by two models at 0%: one genuine defense effect and one model-level refusal independent of the defense. The architectural explanation holds: input-level defenses cannot observe RAG-injected content, and retrieval-level classifiers are defeated by compliance-framed semantic masking. One defense, tool-gating at the memory layer (Memory Sandbox), reduces ASR to 0% for eight of nine models by removing the recall capability the attack requires. The exception inverts the defense entirely: a reasoning model that achieves 0% ASR under no defense via execution refusal inverts to 100% ASR under Memory Sandbox, because removing explicit recall forces the model onto the RAG pathway where its refusal mechanism does not activate. Memory Sandbox imposes zero utility cost in the absence of attack (BTCR = 100% across all conditions). These results provide the first systematic characterization of why each defense class fails against persistent memory attacks, enabling informed defense investment decisions.
Authors: Beyaz{\i}t Bestami Yuksel
Abstract: The realtime analysis and secure transmission of electrocardiogram ECG signals are critical for accurate diagnosis and safeguarding patient privacy in telemedicine applications This study presents a novel realtime ECG monitoring system that employs a learnable key generator LKG derived from each patients own ECG signal characteristics to dynamically produce unique encryption keys These keys determine the parameters r and x0 of a logistic map used for chaotic encryption The system securely encrypts realtime ECG data immediately after acquisition ensuring confidential transmission and storage in the cloud For remote clinical access the encrypted data is downloaded and decrypted on the doctors side using the matching key generated at the source or securely stored in the cloud This approach eliminates the need for traditional key exchange and substantially raises the cost of exhaustive key search in practice through persegment biometric key refresh and combined permutation and XOR diffusion supported by minentropy evaluation Compared to statickey methods the learnable biometric key design offers greater unpredictability and individualization A comprehensive set of security assessments including Shannon entropy 7678 bits correlation and autocorrelation disruption histogram statistics NIST SP 80022 frequency testing plaintextkey sensitivity avalanche effect FFTbased spectral flatness and robustness to noise and occlusion confirms the methods strength Reconstruction fidelity MSE approximately 5x106 PSNR greater than 52 dB MAE approximately 0002 demonstrates nearlossless decryption and preserved diagnostic features Encryption latency remains low preserving realtime performance.
Authors: Mehmet Iscan
Abstract: Local LLM-based coding agents increasingly work in settings where correctness is earned through execution feedback, persistent state, and bounded repair, not through a single fluent answer. Static retrieval, long-context prompting, self-refinement, execution-feedback repair, and reinforcement learning over model weights each address part of this setting, but they do not jointly provide validation-grounded episodic memory, adaptive retrieval-action selection, delayed credit assignment, and structural skill reuse around a frozen local model. We introduce PYTHALAB-MERA, a lightweight external controller for local validation-conditioned code generation. The frozen language model proposes complete source files; the controller decides which memory records and AST-derived skills should enter the next prompt, validates each candidate through a fail-fast pipeline, converts validation outcomes into bounded shaped rewards, and propagates delayed credit through TD(lambda)-style eligibility traces. We evaluate the implementation as a local CLI artifact on reinforcement-learning coding tasks with strict validation gates. In the measured hard RL setting with three tasks, three repetitions, and a three-attempt budget, PYTHALAB-MERA passed 8/9 strict validations; the self-refinement baseline and the investigated GRACE extension each passed 0/9. These results support a deliberately bounded claim: in this recorded setting, the external memory-and-retrieval controller improved validation success. They do not establish general-purpose code synthesis, state-of-the-art performance, formal program correctness, or formal safety.
Authors: Medha Agarwal, Alex Luedtke
Abstract: We introduce the Sinkhorn treatment effect, an entropic optimal transport measure of divergence between counterfactual distributions. Unlike classical quantities such as the average treatment effect, this measure captures differences across entire distributions. We analyze this divergence as a statistical functional and show it can be written as a smooth transformation of counterfactual mean embeddings with an appropriate kernel. This characterization allows us to establish first-order pathwise differentiability in general, and second-order pathwise differentiability under the null hypothesis of equal counterfactual distributions. Leveraging this smoothness, we construct debiased estimators and use them to obtain asymptotically valid tests for distributional treatment effects with a fixed entropic regularization parameter. Because the power of the test depends on this unknown parameter, we further propose an aggregated test that combines evidence across a grid of regularization choices. Experiments on simulated and image data demonstrate the practical advantages of our estimator and testing procedure.
Authors: Don Li, Dacian Daescu
Abstract: We develop a unified Lyapunov-integral quadratic constraint (IQC) framework for establishing uniform stability of first-order accelerated optimization algorithms in the $\beta$-smooth and $\gamma$-strongly convex regime. Classical analyses of uniform stability, such as the work of Hardt, Recht, and Singer for stochastic gradient descent (SGD), rely on direct coupling arguments and case-by-case control of iterate differences under random sampling. Extending such arguments to accelerated methods, such as Nesterov Accelerated Gradient (NAG), is complicated by the presence of higher-order state dynamics induced by momentum. We first extend this classical approach with the use of Lyapunov functions to provide a uniform stability bound for smooth quadratic NAG, and supplement this result with small-scale numerical experiments. We then extend this framework by modeling first-order accelerated optimizers as Lur'e-type feedback interconnections between a linear dynamical system and a (non-linear) gradient operator. $\beta$-Smoothness and $\gamma$-strong convexity are encoded a sector IQC inequality. Under this representation, uniform stability is certified via the existence of a quadratic Lyapunov function satisfying a finite-dimensional linear matrix inequality (LMI) in the form of a feasibility problem, which can be solved via semi-definite programming (SDP). We instantiate this framework for NAG and show how classical uniform stability bounds can be recovered via this framework. These results underscore a structural connection between optimization dynamics and robust control theory, providing a modular methodology for reliable and reproducible numerical certification of uniform stability and generalization behavior of first-order methods via convex optimization tools that is adaptable to increasingly complex optimization algorithms.
Authors: Hamid Kazemi, Atoosa Chegini, Maria Safi
Abstract: Safety alignment in language models operates through two mechanistically distinct systems: refusal neurons that gate whether harmful knowledge is expressed, and concept neurons that encode the harmful knowledge itself. By targeting a single neuron in each system, we demonstrate both directions of failure -- bypassing safety on explicit harmful requests via suppression, and inducing harmful content from innocent prompts via amplification -- across seven models spanning two families and 1.7B to 70B parameters, without any training or prompt engineering. Our findings suggest that safety alignment is not robustly distributed across model weights but is mediated by individual neurons that are each causally sufficient to gate refusal behavior -- suppressing any one of the identified refusal neurons bypasses safety alignment across diverse harmful requests.
Authors: Nhut Le, Ehsan Karimi, Maryam Rahnemoonfar
Abstract: Post-disaster situational awareness relies heavily on understanding both the extent and the volume of floodwaters. While 2D semantic segmentation provides accurate flood masking, it lacks the vertical dimension required to assess navigability and structural risk. This paper presents a geometric "Water Surface Elevation" approach for estimating flood depth from monocular aerial imagery. Our pipeline utilizes Mask2Former, a state-of-the-art transformer-based segmentation model, to generate precise 2D flood masks. These masks are fused with Digital Elevation Models (DEMs) to identify the water-land boundary, calculate a global water surface elevation ($Z_{water}$), and compute per-pixel depth based on the principle of local hydrostatic equilibrium. We evaluate this workflow using the FloodNet and CRASAR-U-DROIDS datasets, demonstrating how high-performance segmentation can be leveraged to extract 3D volumetric data from 2D imagery without the latency of hydrodynamic simulations.
Authors: Doga Kerestecioglu, Alexei Robsky, Clemens Vasters, Anshul Sharma, Yitzhak Kesselman
Abstract: Current LLM agents lack principled mechanisms for managing persistent memory across long interaction horizons. We present a biologically-grounded memory architecture comprising six cognitive mechanisms: (1) sleep-phase consolidation, (2) interference-based forgetting, (3) engram maturation, (4) reconsolidation upon retrieval, (5) entity knowledge graphs, and (6) hybrid multi-cue retrieval. Each mechanism addresses a specific failure mode of naive memory accumulation. We introduce a synthetic calibration methodology that derives all pipeline thresholds without benchmark data exposure, eliminating a common source of evaluation leakage. We evaluate on two benchmarks. First, a VSCode issue-tracking dataset (13K issues, 120K events) where deduplication-based consolidation achieves 97.2% retention precision with 58% store reduction (+21.8 pp over baseline). Second, the LongMemEval personal-chat benchmark where we conduct the first streaming M-tier evaluation (475 sessions, ~540K unique turns). At a 200K-token context budget, our pipeline matches raw retrieval accuracy (70.1% vs. 71.2%, overlapping 95% CI) while exposing a tunable accuracy/store-size operating curve. At S-tier scale (50 sessions), dedup-based consolidation yields a +13.3 pp improvement in preference recall.
Authors: Xiaoyun Gong, Gabriel Rioux, Ziv Goldfeld
Abstract: The Gromov-Wasserstein (GW) problem provides a framework for aligning heterogeneous datasets by matching their intrinsic geometry, but its statistical and computational scaling remains an issue for high-dimensional problems. Slicing techniques offer an appealing route to scalability, but, unlike Wasserstein distances, GW problems do not generally admit closed-form solutions in one-dimension. We resolve this problem for the GW problem with inner product cost (IGW), propose a sliced IGW distance that enjoys a natural rotational invariance property, and comprehensively study its structural and computational properties. Numerical experiments validating our theory are presented, followed by applications to heterogeneous clustering of text data and language model representation comparison.
Authors: Eser Ilke Genc, Samet Demir, Zafer Dogan
Abstract: Independent Component Analysis (ICA) is a foundational tool for unsupervised representation learning, yet its high-dimensional theory remains largely limited to single-component recovery. We develop an asymptotically exact mean-field theory for multi-component online ICA, capturing the coupling induced by simultaneous learning and orthogonalization. In the high-dimensional limit, the joint empirical distribution of learned estimates and ground-truth components converges to a deterministic process, yielding a closed ODE system for the overlap matrix between learned directions and true components. This characterization reveals a genuinely multi-component, initialization-driven phase structure: a decoupled regime, where estimates align with distinct components and evolve nearly independently, and a competition regime, where overlapping initializations induce orthogonality-driven conflicts, slow reorientation, and delayed convergence. Our steady-state analysis gives explicit learnability boundaries and competition conditions linking step size, data moments, and initialization. These conditions show that larger higher-order moments and competition shrink the stable learning-rate window, increase convergence times, and predict a staircase phenomenon in which the number of recoverable components changes discretely with the learning rate. Experiments on synthetic data and hyperspectral remote sensing data validate the predicted trajectories and phase behavior.
Authors: Zichen Xie, Mrigank Pawagi, Yuxin Liu, Aaditi Rai, Lize Shao, John Berberian Jr., Sicong Che, Wenxi Wang
Abstract: Large language models can generate useful code from natural language, but their outputs come without correctness guarantees. Verifiable code generation offers a path beyond testing by requiring models to produce not only executable code, but also formal specifications and machine-checkable proofs. Progress in this direction, however, is difficult to measure: existing benchmarks are often small, focus on only one part of the pipeline, lack ground-truth proofs or rigorous specification validation, or target verification settings far from mainstream software development. We present VeriContest, a benchmark of 946 competitive-programming problems from LeetCode and Codeforces for verifiable code generation in Rust with Verus. Each problem pairs a natural language description with expert-validated formal specifications, judge-accepted Rust code, Verus-checked proofs, and positive and negative test suites. VeriContest is constructed through a three-phase pipeline that scales from manually verified seed problems to semi-automated expansion with human-in-the-loop review. To further strengthen benchmark quality, we use testing as an additional quality-assurance layer for validating postcondition completeness. VeriContest supports isolated and compositional evaluation of specification generation, code generation, proof generation, and end-to-end verified program synthesis. Evaluating ten state-of-the-art models reveals a sharp gap between coding ability and verifiable code generation: the strongest model reaches 92.18% on natural-language-to-code generation, but only 48.31% on specification generation, 13.95% on proof generation, and 5.29% end-to-end. These results identify proof and specification generation as the central bottlenecks for models and establish VeriContest as a rigorous platform for measuring and training future systems that generate code with machine-checkable correctness.
Authors: Salim Khazem, Ibrahim Mohamed Serouis, Zakaria Ezzahed
Abstract: Parameter-efficient adaptation of pretrained vision models is commonly performed through linear probes, prompts, low-rank updates, or lightweight residual modules. While effective, these methods usually treat adaptation as a discrete Euclidean perturbation of frozen representations, without explicitly modeling the geometry of the task-induced feature displacement. We propose \textsc{MC-RFM}, a mixed-curvature Riemannian flow-matching framework for few-shot adaptation of frozen visual backbones. The key idea is to represent adapted features on a product manifold combining a hyperbolic factor, which captures hierarchy-sensitive semantic structure, and a Euclidean factor, which preserves locally discriminative visual variation. Adaptation is formulated as a task-conditioned continuous transport from frozen features to support-set prototypes, trained with a flow-matching objective and coupled to a hybrid prototype-linear classifier. The method is lightweight, backbone-agnostic, and operates entirely on cached frozen features. Across seven visual recognition benchmarks, five frozen backbones, and 1/4/16-shot regimes, \textsc{MC-RFM} is the best-performing method in a majority of evaluated settings, with the strongest gains on Transformer backbones and fine-grained datasets. Ablations show that the mixed-curvature head, task conditioning, adaptive branch gating, prototype shrinkage, and discriminative supervision each contribute to performance. These results suggest that few-shot adaptation benefits not only from deciding which parameters to update, but also from modeling how representations should move through a geometry matched to the structure of the downstream task.
Authors: Anastasis Kratsios
Abstract: Convex functionals are ubiquitous in applied analysis, appearing as value functions, risk measures, super-hedging prices, and loss functionals in machine learning. In many applications, however, the functional is only observed through finitely many exact pointwise evaluations. We ask whether a convex functional on a separable Hilbert space $H$ can be reconstructed, up to arbitrary uniform accuracy, by an explicit formula which preserves convexity and Lipschitz regularity and is finitely computable. We answer this affirmatively. For every compact convex $C\subseteq H$, every $L$-Lipschitz convex functional $\rho:C\to\mathbb{R}$, and every $\varepsilon>0$, we construct an explicit finite-sample reconstruction which is convex, $L$-Lipschitz, and uniformly $\varepsilon$-accurate on $C$. The construction uses only finitely many linear measurements $\langle b,\cdot\rangle_H$, with $b$ lying in a finite-dimensional subspace of $H$, and is exactly implementable by a $\operatorname{ReLU}$-MLP. Building on this, we introduce convex neural functionals (CNFs), a structured trainable architecture class containing our reconstruction, whose every admissible parameter configuration is automatically convex and Lipschitz, providing a principled foundation for learning convex functionals from finite data.
Authors: Zhenhan Fang, Aixin Tan, Jian Huang
Abstract: Density estimation and reliable prediction regions for outputs are crucial in supervised and unsupervised learning. While conformal prediction effectively generates coverage-guaranteed regions, it struggles with multi-dimensional outputs due to reliance on one-dimensional nonconformity scores. To address this, we introduce CONTRA: CONformal prediction region via normalizing flow TRAnsformation. CONTRA utilizes the latent spaces of normalizing flows to define nonconformity scores based on distances from the center. This allows for the mapping of high-density regions in latent space to sharp prediction regions in the output space, surpassing traditional hyperrectangular or elliptical conformal regions. Further, for scenarios where other predictive models are favored over flow-based models, we extend CONTRA to enhance any such model with a reliable prediction region by training a simple normalizing flow on the residuals. We demonstrate that both CONTRA and its extension maintain guaranteed coverage probability and outperform existing methods in generating accurate prediction regions across various datasets. We conclude that CONTRA is an effective tool for (conditional) density estimation, addressing the under-explored challenge of delivering multi-dimensional prediction regions.
Authors: Jake Lance, Larry Kieu
Abstract: The feedback alignment (FA) algorithm offers a biologically plausible alternative to backpropagation (BP) for training neural networks yet notably fails to scale to convolutional architectures. Modifications have been proposed to address this limitation, but at questionable cost to biological plausibility. In this paper, we evaluate five learning algorithms including modified FA and standard BP, applied to the same convolutional architecture with the CIFAR-10 dataset. We provide a tripartite comparative analysis focusing on biological plausibility, interpretability, and computational complexity. Our results indicate that modified FA algorithms converge on internal representations that are structurally similar to those produced by backpropagation. In particular, it appears the functional success of modified FA algorithms may be rooted in their ability to mimic the representational geometry of backpropagation, converging on similar representations despite relying on fundamentally different weight update mechanisms.
Authors: Yongkang Li, Brian Wong, King Wai Chiu, Hanwen Xu, Tangqi Fang, Erin Dunnington, Dan Fu, Sheng Wang
Abstract: Chemical imaging enables label-free visualization of cells, tissues and living systems while providing direct biochemical information that is difficult to obtain with conventional fluorescence microscopy. Despite its promise in applications ranging from intraoperative diagnosis to drug-response analysis, its broader use remains limited by slow data acquisition, particularly for three-dimensional imaging. Here we present MicroDiffuse3D, a pretrained foundation model for 3D microscopy image restoration that recovers high-quality volumetric structure from degraded low-resolution measurements acquired at substantially higher throughput. We evaluated MicroDiffuse3D across three challenging restoration settings, including 3D super-resolution under 16-fold volumetric sparsity, joint degradation in resolution and noise, and 3D denoising in the low signal-to-noise ratio (SNR) regime, where the model delivered clear gains over strong baselines. Under the sparse 3D super-resolution setting, MicroDiffuse3D produced clearer continuity across depth with fewer artifacts and improved segmentation quality by 10.58% and line-profile concordance by 15.59%. Together, our results establish pretrained 3D restoration as a broadly applicable strategy for overcoming the throughput and SNR limitations in volumetric chemical imaging, enabling high-resolution analysis at scales and speeds that were previously difficult to achieve.
Authors: Kaixiang Zheng, Jacob H. Seidman
Abstract: As synthetic images become increasingly realistic, reliable synthetic image detection techniques are of pressing need to prevent their misuse. Despite satisfactory in-distribution performance, deep neural network-based synthetic image detectors (SIDs) lack reliability in deployment and often fail in the presence of common covariate shifts, resulting in poor detection accuracy. To avoid the risk caused by potential errors, we adopt a selective classification (SC) strategy by allowing SIDs to abstain from making low confidence predictions. For practicality, we focus on post-hoc methods which perform confidence estimation on a given SID without retraining. However, we show that conventional logit-based confidence score functions (CSFs) exhibit pathological behavior under covariate shifts, leading to SC performance close to or even worse than random guessing. To address this, we propose a simple yet effective SC framework for Reliable Synthetic Image Detection (ReSIDe). First, we generalize the notion of logits to an SID's intermediate layers from a centroid matching perspective, extending the use of logit-based CSFs to any layer of an SID. Then, we introduce a preference optimization algorithm that aggregates confidence scores extracted from different layers to a final confidence estimate by minimizing an upper bound of the area under the risk-coverage curve (AURC). Extensive experimental results show that ReSIDe significantly boosts the SC performance of various logit-based CSFs under common covariate shifts, achieving up to 69.55% AURC reduction.
Authors: Antoni Nowinowski, Krzysztof Krawiec
Abstract: In modern GANs, maintaining an Exponential Moving Average (EMA) of the generator's weights is a standard practice, as such an averaged model consistently outperforms the actively trained generator. However, the EMA generator is used for final deployment only and does not influence the training process. To address this missed opportunity, we introduce Self-Distilled GAN (SD-GAN) that employs the EMA generator as a teacher to guide the active generator (student) via perceptual loss. We prove the local asymptotic stability of SD-GAN in the Dirac-GAN setting and show that it dampens the parasitic cycling behavior that plagues the conventional GANs. Empirical evaluations across established architectures and datasets demonstrate that SD-GAN improves the final image quality on several metrics (FID and random-FID in particular), stabilizes the optimization trajectory and provides additional learning guidance that is not trivially correlated with the conventional adversarial loss. It also proves effective for fine-tuning pretrained GAN models.
Authors: Logashree Venkatasubramanian (Georgia Institute of Technology), Zishen Wan (Georgia Institute of Technology), Viveck Cadambe (Georgia Institute of Technology)
Abstract: Systolic arrays are the dominant compute fabric for neural network inference. Prior work has addressed column-level fault detection efficiently with uniform test patterns, but row-level (PE-level) fault localization within a faulty column remains open without resorting to hardware redundancy. The fundamental obstacle is that uniform test inputs destroy per-row signatures: any test that activates every row equally cannot distinguish which row is the source of an observed deviation. In this paper, we propose a lightweight, purely algorithmic remedy based on coprime test vectors. By assigning pairwise coprime integers as test-input entries, a permanent weight-register fault produces a deviation whose divisibility signature uniquely identifies the faulty row. Under a general bounded error model, a single test pass localizes the faulty row with high probability. This error model covers a broader class of faults than what prior dataflow-aware testing work has primarily emphasized. When one round is insufficient, a second pass using a ratio computation achieves exact localization; for the special case of single-bit errors, odd coprime entries guarantee exact localization in one round. For INT16 arithmetic, a single test pass covers array sizes up to $256{\times}256$ with localization probability above $0.98$, at a test cost under $1\%$ of one inference GEMM tile.
Authors: Devesh Shah
Abstract: Out-of-distribution (OOD) detection is essential for reliable deployment of deep learning systems, yet the majority of existing methods are evaluated on small, visually homogeneous benchmarks. In this work, we study six OOD detection methods spanning post-hoc scoring, auxiliary objectives, energy-based models, and constrained optimization on the Plant Pathology 2021 dataset, a fine-grained task with natural distribution shifts. Energy-based fine-tuning performs best across OOD settings, improving detection over the softmax baseline while preserving in-distribution accuracy. Analysis shows these gains stem from both a restructuring of the embedding space alongside calibration of the scoring function. We further document practical training instabilities that arise when scaling constrained optimization methods to moderate-sized datasets, findings that are largely absent from existing literature. Our results demonstrate that principled OOD detection is achievable on real-world domain-specific data and that benchmark evaluations alone may not capture the challenges that emerge in practice.
Authors: Liangqi Yuan, Wenzhi Fang, Shiqiang Wang, H. Vincent Poor, Christopher G. Brinton
Abstract: Large language models (LLMs) are transforming society, powering applications from smartphone assistants to autonomous driving. Yet cloud-based LLM services alone cannot serve a growing class of applications, including those operating under intermittent connectivity, sub-second latency budgets, data-residency constraints, or sustained high-volume inference. On-device deployment is in turn constrained by limited computation and memory. No single endpoint can deliver high-quality service across this spectrum. This article focuses on collaborative intelligence, a paradigm in which multiple independent LLMs distributed across device and cloud endpoints collaborate at the task level through natural language or structured messages. Such collaboration strives for superior response quality under heterogeneous resource constraints spanning computation, memory, communication, and cost across network tiers. We present collaborative inference along two complementary and composable dimensions: vertical device-cloud collaboration and horizontal multi-agent collaboration, which can be combined into hybrid topologies in practice. We then examine learning to collaborate, addressing the training of routing policies and the development of cooperative capabilities among LLMs. Finally, we identify open research challenges including scaling under resource heterogeneity and trustworthy collaborative intelligence.
Authors: Phil Travis, Troy Carter
Abstract: Energy-based models (EBMs) provide a powerful and flexible way of learning a joint probability distribution over data by constructing an energy surface. This energy surface enables insight extraction and conditional sampling. We apply EBMs to laboratory plasma physics, a domain characterized by highly nonlinear phenomena. These phenomena are studied using plasma diagnostics, which are often difficult to analyze and subject to hardware degradation. In addition, the possible configuration space of a plasma device is sufficiently large that it cannot be efficiently searched using conventional analysis techniques. EBMs address these issues. At the Large Plasma Device (LAPD), a CNN- and attention-based EBM is trained on a set of randomly generated machine conditions and their corresponding diagnostic time series. We demonstrate diagnostic reconstruction using this EBM on real data and show that additional diagnostics improves reconstruction error and generation quality. The energy surface is directly evaluated for an ill-posed inverse problem: inferring probe position from a time-series measurement. This inference illuminates symmetries in the data, potentially leading to a method of inquiry to supplement conventional data analysis. Trends in diagnostic signals are inferred via conditional sampling over machine inputs. In addition, this multimodal EBM is able to unconditionally reproduce all distributional modes, suggesting future potential in anomaly detection on the LAPD. Fundamentally, this work demonstrates the flexibility and efficacy of EBM-based generative modeling of laboratory plasma data, and showcases multiple practical uses of just a single trained EBM in the physical sciences.
Authors: Aritra Mazumder, Shubhashis Roy Dipta, Nusrat Jahan Lia, Tanzila Khan, Kainat Raisa Hossain, Nehaa Shri, Shubhrangshu Debsarkar, Humayra Tasnim, Gour Gupal Talukder Shawon, Debjoty Mitra, Sumaiya Ahmed Rani, Al Jami Islam Anik, Al Nafeu Khan
Abstract: Multi-agent systems achieve state-of-the-art outcomes through peer collaboration. However, when an agent in the pipeline silently drops a constraint, the system's final output may look correct even though the reasoning chain was quietly corrupted, and existing outcome-based evaluations are blind to such multi-hop process failures. To make these vulnerabilities measurable before deployment, we introduce AgentCollabBench, a diagnostic benchmark of 900 human-validated tasks spanning software engineering, DevOps, and data engineering. Each task isolates one of four behavioral risks: instruction decay (does a constraint survive peer pressure?), false-belief contagion (does a falsehood spread through consensus?), context leakage (does information bleed between tasks?), and tracer durability (does marked data reach the final agent?). Evaluating four modern LLMs (GPT 4.1 mini, Gemini 2.5 Flash Lite, Qwen-3.5-35B-A3B, and Llama 3.1 8B Instruct), we expose model-specific vulnerability profiles invisible to outcome-only evaluation; Qwen-3.5-35B-A3B, for example, leads on tracer durability and instruction stability, while GPT 4.1 mini leads on leakage containment and false-belief resistance. Beyond per-model differences, communication topology emerges as a primary risk factor that explains 7-40% of the variance in multi-hop information survival. The effect traces to a synthesis bottleneck specific to converging-DAG nodes: an agent weighing competing parent inputs discards constraints carried by a minority branch, a bottleneck structurally absent from linear chains. AgentCollabBench demonstrates that suboptimal topology can silently erase the safeguards of highly capable models, arguing that multi-agent reliability is fundamentally a structural problem and that scaling model intelligence alone is no substitute for architecture.
Authors: Lei Wang, Wenxiang Diao, Andrew Busch, Jun Zhou, Yongsheng Gao
Abstract: Video anomaly detection (VAD) systems often prioritize accuracy while overlooking privacy concerns, limiting their suitability for real-world deployment. We propose the Orthogonal Projection Layer (OPL), a lightweight module that removes task-irrelevant variations to produce representations focused on anomaly-relevant cues. To address privacy risks in human-centered scenarios, we introduce Guided OPL (G-OPL), which suppresses facial attributes using weak supervision from face-presence signals while preserving non-identifying features such as pose and motion. A cosine alignment objective enforces consistent capture and removal of facial information without identity labels or adversarial training. We further present a privacy-aware evaluation framework that jointly assesses detection performance and privacy preservation, and enables analysis of how sensitive information is filtered. Experiments show that embedding privacy constraints into model design reduces sensitive information while maintaining or improving detection accuracy, supporting projection-based architectures as a principled approach for privacy-aware VAD.
Authors: Chengcheng Sun, Chenhao Li, Xiang Lin, Tianji Zheng, Fanrong Meng, Xiaobin Rui, Zhixiao Wang
Abstract: Graph neural networks (GNNs) aim to learn well-trained representations in a lower-dimension space for downstream tasks while preserving the topological structures. In recent years, attention mechanism, which is brilliant in the fields of natural language processing and computer vision, is introduced to GNNs to adaptively select the discriminative features and automatically filter the noisy information. To the best of our knowledge, due to the fast-paced advances in this domain, a systematic overview of attention-based GNNs is still missing. To fill this gap, this paper aims to provide a comprehensive survey on recent advances in attention-based GNNs. Firstly, we propose a novel two-level taxonomy for attention-based GNNs from the perspective of development history and architectural perspectives. Specifically, the upper level reveals the three developmental stages of attention-based GNNs, including graph recurrent attention networks, graph attention networks, and graph transformers. The lower level focuses on various typical architectures of each stage. Secondly, we review these attention-based methods following the proposed taxonomy in detail and summarize the advantages and disadvantages of various models. A model characteristics table is also provided for a more comprehensive comparison. Thirdly, we share our thoughts on some open issues and future directions of attention-based GNNs. We hope this survey will provide researchers with an up-to-date reference regarding applications of attention-based GNNs. In addition, to cope with the rapid development in this field, we intend to share the relevant latest papers as an open resource at https://github.com/sunxiaobei/awesome-attention-based-gnns.
URLs: https://github.com/sunxiaobei/awesome-attention-based-gnns.
Authors: Shan Jiang, Zijian Yi, Chenguang Zhu
Abstract: LLM code-generation pipelines often sample multiple candidates and select one final answer without access to a complete oracle. Existing pipelines mix textual voting, ranking, and execution-based agreement, but the relative contribution of each component remains unclear. We study 18 configurations across different models, thinking levels, and benchmarks, comparing output-pattern majority voting, weighted voting, MBR-Exec, and SemanticVote - a method that clusters candidates by execution fingerprints on LLM-generated inputs. Three findings emerge. (1) The best execution-based selector exceeds output-pattern majority voting by 19-52 percentage points on every configuration, with every execution-based selector exceeding it by at least 18 points. (2) Once candidates are executed on diverse inputs, aggregation rule has limited effect: SemanticVote, weighted voting, and MBR-Exec are statistically indistinguishable across all 18 configurations. The largest factor is input quality: sketch-based input generation consistently outperforms direct LLM generation by 0.6-2.1 pp and random fuzzing by up to 11.3 pp. (3) Thinking level interacts differently with selection families: deeper thinking improves majority voting by 12 pp but execution-based methods stay flat or degrade as candidate diversity falls. These results frame inference-time code selection as a signal-quality problem rather than an aggregation-rule problem: when oracles are unavailable, the behavioral evidence matters more than the aggregation rule.
Authors: Haixiang, Yang Xu, Jiefu Zhang, Xudong Wu, Zihan Zhou, Jun He, Jiayu Chen
Abstract: We study solving large-scale fixed-point equation \(x^\star=\bar F(x^\star)\) with decomposition. Standard strict decomposition assigns each agent a disjoint block and evaluates updates using only owned coordinates. For most operators, however, a block update may depend on variables outside the block. Truncating these dependencies by strict decomposition changes the mean operator and creates structural bias that cannot be removed by more samples, smaller stepsizes, or additional consensus. We therefore propose Core-Halo decomposition, which separates write ownership from read-only evaluation context: each agent updates its own core and reads from an overlapping halo. By aligning the Core-Halo decomposition with the block-dependence structure of $\bar F$, the original fixed-point problem can be implemented faithfully in a decentralized multi-agent system. We further characterize the fundamental obstruction faced by strict decomposition through a Bellman closure condition and a blockwise bias lower bound, showing that local-only updates can alter the original fixed-point operator. Finally, we conduct extensive experiments across a range of application settings, and demonstrate that Core-Halo achieves near-centralized performance while retaining the parallelism benefits of decentralization.
Authors: Benjamin L. Badger
Abstract: Over the last two decades, language modeling has experienced a shift from predominantly recurrent architectures that process tokens sequentially during training and inference to non-recurrent models that process sequence elements in parallel during training, which results in greater training efficiency and stability at the expense of lower inference throughput. Here we introduce the Structured Recurrent Mixer, an architecture that allows for algebraic conversion between a sequence parallel representation at train time and a recurrent representation at inference, notably without the need for specialized kernels or device-specific memory management. We show experimentally that this dual representation allows for greater training efficiency, higher input information capacity, and larger inference throughput and concurrency when compared to other linear complexity models. We postulate that recurrent models are poorly suited to extended sequence length scaling for information-rich inputs typical of language, but are well suited to scaling in the sample (batch) dimension due to their constant memory per sample. We provide Mojo/MAX inference implementations of SRMs exhibiting 12x the throughput and 170x the concurrency of similarly powerful Transformers inferenced on vLLM, increases characteristic of Pytorch implementations resulting in a 30\% increase in compute-constant GSM8k Pass@k. We conclude by demonstrating that SRMs are effective reinforcement learning training candidates.
Authors: Md Abu Obaida Zishan, Jannatun Noor, Annajiat Alim Rasel
Abstract: Stable Diffusion (SD) has evolved DDPM (Denoising Diffusion Probabilistic Model) based image generation significantly by denoising in latent space instead of feature space. This popularized DDPM-based image generation as the cost and compute barrier was significantly lowered. However, these models could only generate fixed-resolution images according to their training configuration. When we attempt to generate higher resolutions, the resulting images show object duplication artifacts consistently. To solve this problem without finetuning SD models, recent works have tried dilating the convolution kernels of the models and have achieved a great level of success. But dilated kernels are harder to fine-tune due to being zero-gapped. Apart from this, other methods, such as patched diffusion, could not solve the object-duplication problem efficiently. Hence, to overcome the limitations of dilated convolutions, we propose kernel interpolation of SD models for higher-resolution image generation. In this work, we show mathematically that interpolation can correctly scale convolution kernels if multiplied by a constant coefficient and achieve competitive empirical results in generating beyond-training-resolution images with Stable Diffusion using zero training. Furthermore, we demonstrate that our method enables interpolation of deep neural networks to adapt to higher-dimensional training data, with a worst-case performance drop of $2.6\%$ in accuracy and F1-Score relative to the baseline. This shows the applicability of our method to be general, where we interpolate fully-connected layers, going beyond convolution layers. We also discuss how we can reduce the memory footprints of training neural networks, using our method up to at least $4\times$.
Authors: Yuxuan Zhang, Penghui Du, Bo Li, Cong Wei, Junwen Miao, Huaisong Zhang, Songcheng Cai, Yubo Wang, Dongfu Jiang, Yuyu Zhang, Ping Nie, Wenhu Chen, Changqian Yu, Kelsey R. Allen
Abstract: Evaluating instruction-guided image edits requires rewards that reflect subtle human preferences, yet current reward models typically depend on large-scale preference annotation and additional model training. This creates a data-efficiency gap: humans can often infer the target evaluation criteria from only a few examples, while models are usually trained on hundreds of thousands of comparisons. We present RewardHarness, a self-evolving agentic reward framework that reframes reward modeling as context evolution rather than weight optimization. Instead of learning from large-scale annotations, RewardHarness aligns with human preferences by iteratively evolving a library of tools and skills from as few as 100 preference demonstrations. Given a source image, candidate edited images, and an editing instruction, an Orchestrator selects the most relevant subset of tools and skills from the maintained library, and a frozen Sub-Agent uses them to construct a reasoning chain that produces a preference judgment. By comparing predicted judgments with ground-truth preferences and analyzing successes and failures in the reasoning process, the Orchestrator automatically refines its library of tools and skills without additional human annotation. Using only 0.05% of the EditReward preference data, RewardHarness achieves 47.4% average accuracy on image-editing evaluation benchmarks, surpassing GPT-5 by 5.3 points. When used as a reward signal for GRPO fine-tuning, RL-tuned models achieve 3.52 on ImgEdit-Bench. Project page: https://rewardharness.com.
Authors: Jikun Wu, Dongxin Guo, Siu-Ming Yiu
Abstract: Are certain cognitive biases mathematically inevitable consequences of sequential information processing? We prove that primacy effects, anchoring, and order-dependence are architecturally necessary in autoregressive language models due to causal masking constraints. Our three impossibility theorems establish: (1) primacy bias arises from asymmetric attention accumulation; (2) anchoring emerges from sequential conditioning with provable information bounds; and (3) exact debiasing by permutation marginalization requires factorial-time computation, with Monte Carlo approximation feasible at constant per-tolerance overhead. We validate these bounds across 12 frontier LLMs ($R^2 = 0.89$; $\Delta$BIC $= 16.6$ vs. next-best alternative). We then derive quantitative predictions from the framework and test them in two pre-registered human experiments ($N = 464$ analyzed). Study 1 confirms anchor position modulates anchoring magnitude ($d = 0.52$, BF$_{10} = 847$). Study 2 shows working memory load amplifies primacy bias ($d = 0.41$, BF$_{10} = 156$), with WM capacity predicting bias reduction ($r = -.38$). These convergent findings reframe cognitive biases as resource-rational responses to sequential processing.
Authors: Jiaming Liang, Chi-Man Pun, Weisi Lin, Greta Seng Peng Mok
Abstract: Learned image compression (LIC) integrates deep neural networks (DNNs) to map high-dimensional images into compact latent representations, reducing redundancy and achieving superior rate-distortion (RD) performance in benign settings. Unfortunately, due to inherent vulnerabilities in DNNs, LIC systems are susceptible to adversarial perturbations that lead to downstream deterioration, compression rate degradation, untargeted distortion, and both local semantic manipulation (LSM) and low-resolution ($3\times28\times28$) global semantic manipulation (GSM). However, high-resolution GSM remains unexplored due to its intractability. Notably, the existing project gradient descent (PGD) method achieves near-perfect white-box attacks for classification, segmentation, and other tasks, yet fails to generalize to high-resolution GSM. Our theoretical and empirical analyses reveal that well-performing GSM drives adversarial examples from the Identity Region to the Amplification Region through the Lazying-Oscillating-Refining stages. General $\ell_{\infty}$-bounded attacks fail on high-resolution GSM because their step-size schedules cannot accommodate both the Oscillating and Refining stages. Based on this, we propose the Periodic Geometric Decay schedule that enables $\ell_{\infty}$-bounded high-resolution GSM. To verify our approach, we integrate it with PGD, yielding a minimal variant, PGD$^{2}$-GSM. Extensive experiments on the Kodak $(3\times768\times512)$ demonstrate that our PGD$^{2}$-GSM is the first to stably achieve high-resolution GSM, thereby exposing a novel threat to LIC systems. Code is available at https://github.com/chinaliangjiaming/PGD2-GSM.
Authors: Vladimir Iglovikov
Abstract: JPEG decode is routine ML infrastructure, but Python decoder choices are often justified by single-process, single-thread microbenchmarks. We audit this evaluation assumption with twelve Python-accessible JPEG decode paths on five matched 16 vCPU Google Cloud CPUs: Intel Emerald Rapids, AMD Zen 4, AMD Zen 5, ARM Neoverse V2, and ARM Neoverse N1. ImageNet validation is the workload, not a new dataset contribution: each run decodes the full 50,000-image split from memory and reports single-thread throughput for all decoders, PyTorch DataLoader throughput for eligible decoders at worker counts {0,2,4,8}, and decoder skip behavior. The evaluation protocol changes the supported conclusion. On Neoverse V2, imageio is ninth in single-thread throughput yet lands in the top DataLoader tier with torchvision; on Zen 4, torchvision rises from seventh single-thread to the top measured DataLoader tier; on Neoverse N1, imagecodecs is the single-thread leader but fourth at peak DataLoader throughput. We also find that worker-count conclusions differ between Zen 4 and Zen 5, TensorFlow has a large single-thread ARM penalty, and strict libjpeg-turbo-family wrappers reject the same rare ImageNet JPEG. For PyTorch DataLoader workloads, torchvision and simplejpeg form the strongest measured zero-skip tier: torchvision has the highest mean normalized throughput, while simplejpeg has the highest minimum. OpenCV remains a robust general-purpose fallback above 90% of the platform-local winner on every tested CPU. We release raw JSON, generated tables/figures, and an executable local/cloud benchmark framework.
Authors: Hoang Nguyen, Xiaohao Xu, Xiaonan Huang
Abstract: Modern vision-based world models can represent observations as compact yet expressive latent manifolds, but fast goal-oriented planning in these spaces remains challenging. This raises a central question: when does a learned representation simplify control, rather than merely enabling prediction? We study this question in a pretrained LeWorldModel, whose latent geometry is regularized for smoothness and uniformity. Our key insight is that, under such geometry, planning can be amortized into a latent inverse-dynamics mapping instead of requiring online search. We therefore replace iterative planning with a lightweight Goal-Conditioned Inverse Dynamics Model (GC-IDM) that maps the current latent state, goal latent state, and remaining horizon directly to the next action. Empirically, across four benchmark environments spanning navigation, contact-rich manipulation, and continuous control, our controller matches or exceeds CEM in seven of eight environment-protocol settings while reducing per-decision cost by 100-130x. A broader sweep over test-time planners (CEM, MPPI, iCEM, and gradient-based methods) shows that this result is not specific to a particular optimizer. These findings suggest that much of the structure recovered by test-time planning is already locally encoded in the latent representation. More broadly, our results indicate that sufficiently structured latent spaces can shift part of the planning burden from online optimization to learned inference.
Authors: Dingdong Yang, Jian Liu, Biwen Lei, Haohan Weng, Zhuo Chen, Song Guo, Hao Richard Zhang, Ali Mahdavi Amiri, Chunchao Guo
Abstract: Autoregressive (AR) models can generate high-quality low-poly meshes from point clouds, but they still operate in an all-or-nothing manner: when a local region is unsatisfactory, the entire mesh must be regenerated, wasting computation and destroying satisfactory mesh structure elsewhere. We introduce MeshFIM, a Fill-in-the-Middle (FIM) framework that regenerates a target region of a low-poly mesh conditioned on the surrounding context. MeshFIM addresses three mesh-specific challenges: enforcing exact attachment along the exposed boundary, preserving topological order in the context, and suppressing overflow beyond the intended region. It does so with five complementary design choices: boundary vertex markers, context positional embeddings, expanded context width, context augmentation, and a low-poly geometry encoder whose gated subtraction mechanism focuses generation on the missing region by leveraging the difference between the reference surface and the existing mesh. Detailed ablation studies are presented to show the effectiveness of every introduced component. Based on MeshFIM, we demonstrate two applications: interactive brush-based editing and automatic defect repair on low-poly mesh (see Figure 1). Last but not least, experiments show that MeshFIM outperforms a range of baselines in mesh refinement, mesh repair and whole mesh generation plus stitch-back scheme.
Authors: Tao Yu, Hao Wang, Changyu Li, Shenghua Chai, Minghui Zhang, Zhongtian Luo, Yuxuan Zhou, Haopeng Jin, Zhaolu Kang, Jiabing Yang, YiFan Zhang, Xinming Wang, Hongzhu Yi, Zheqi He, Jing-Shu Zheng, Xi Yang, Yan Huang, Liang Wang
Abstract: Large language model (LLM) agents are increasingly expected to operate in enterprise environments, where work is distributed across specialized roles, permission-controlled systems, and cross-departmental procedures. However, existing enterprise benchmarks largely evaluate single agents with broad tool access, while existing multi-agent benchmarks rarely capture realistic enterprise constraints such as role specialization, access control, stateful business systems, and policy-based approvals. We introduce \textsc{EntCollabBench}, a benchmark for evaluating enterprise multi-agent collaboration. \textsc{EntCollabBench} simulates a permission-isolated organization with 11 role-specialized agents across six departments and contains two evaluation subsets: a Workflow subset, where agents collaboratively modify enterprise system states, and an Approval subset, where agents make policy-grounded decisions. Evaluation is based on execution traces, database state verification, and deterministic policy adjudication rather than natural-language response judging. Experiments with representative LLM agents show that current models still struggle with end-to-end enterprise collaboration, especially in delegation, context transfer, parameter grounding, workflow closure, and decision commitment. \textsc{EntCollabBench} provides a reproducible testbed for measuring and improving agent systems intended for realistic organizational environments.
Authors: Tao Yu, yiming ding, Shenghua Chai, Minghui Zhang, Zhongtian Luo, Xinming Wang, Xinlong Chen, Zhaolu Kang, Junhao Gong, Yuxuan Zhou, Haopeng Jin, Zhiqing Cui, Jiabing Yang, YiFan Zhang, Hongzhu Yi, Zheqi He, Xi Yang, Yan Huang, Liang Wang
Abstract: Current omni-modal benchmarks mainly evaluate models under settings where multiple modalities are provided simultaneously, while the ability to start from audio alone and actively search for cross-modal evidence remains underexplored. In this paper, we introduce \textbf{Omni-DeepSearch}, a benchmark for audio-driven omni-modal deep search. Given one or more audio clips and a related question, models must infer useful clues from audio, invoke text, image, and video search tools, and perform multi-hop reasoning to produce a short, objective, and verifiable answer. Omni-DeepSearch contains 640 samples across 15 fine-grained categories, covering four retrieval target modalities and four audio content types. A multi-stage filtering pipeline ensures audio dependence, retrieval necessity, visual modality necessity, and answer uniqueness. Experiments on recent closed-source and open-source omni-modal models show that this task remains highly challenging: the strongest evaluated model, Gemini-3-Pro, achieves only 43.44\% average accuracy. Further analyses illustrate key bottlenecks in audio entity inference, query formulation, tool-use reliability, multi-hop retrieval, and cross-modal verification. These results highlight audio-driven omni-modal deep search as an important and underexplored direction for future multimodal agents.
Authors: Youhe Feng, Hansen Shi, Haoyang Li, Xinlei Guo, Yang Wang, Chengyang Zhang, Jinkai Zhang, Xiaohan Zhang, Jie Tang, Jing Zhang
Abstract: Long-horizon robotic manipulation requires dense feedback that reflects how a task advances through its procedural stages, not merely whether the final outcome is successful. Existing reward models often rely on trajectory-level success labels or time-based interpolation, which can conflate elapsed time with true task progress and therefore fail to capture unfinished steps, stagnation, and failure states. We present ProcVLM, a progress-aware vision-language model that learns procedure-grounded progress as a dense reward signal for manipulation. Rather than deriving progress from terminal outcomes or temporal proxies, ProcVLM grounds progress estimation in procedural structure and intra-stage visual change, and further adopts a reasoning-before-estimation paradigm that infers the remaining atomic actions before estimating task progress. Specifically, we construct this supervision by synthesizing frame-level subtask-semantic annotations, assigning progress budgets according to subtask structure, and distributing each budget based on intra-subtask visual change. To train ProcVLM at scale, we build a standardized procedural supervision synthesis pipeline and construct ProcCorpus-60M from 30 embodied datasets with 60M annotated frames, from which we derive ProcVQA for procedure-aware pretraining, with progress estimation as the central task alongside action segmentation and future planning. Experiments on ProcVQA and reward-model benchmarks show that ProcVLM improves embodied procedural reasoning and yields more discriminative trajectory-internal progress estimates than representative baselines, supporting its use as a dense reward model for downstream reward-guided policy optimization. Project page: https://procvlm.github.io/
Authors: Shaul Tolkovsky, Ori Meidler, Or Zuk
Abstract: Mode separation, namely how sharply a distribution fragments into barrier-separated clusters, is a fundamental geometric property of densities, difficult to quantify in high dimensions. It is structurally distinct from dispersion, yet existing tools fall short: differential entropy rises with spread regardless of fragmentation, PCA orders directions by variance regardless of barriers, and mutual information requires a mixture decomposition one usually does not have. We measure mode separation through a single stochastic process intrinsic to the density: a unique reversible diffusion with $f$ as its stationary distribution and constant scalar diffusion coefficient. We extract two readouts from its autocovariance matrix: SSA (Sum of Squared Autocorrelations), a scalar barrier-sensitive measure; and DA (Dominant Autocorrelation directions), linear projections ordered by metastability rather than variance. Under an isotropic-Gaussian null, we derive a closed-form spectrum for the empirical autocovariance that generalizes Marchenko--Pastur, with an analytic upper edge that selects the lag at which DA is read off. Both readouts use only samples and a score function, scaling to high dimensions through pretrained score-based generative models via Tweedie's identity. We apply our framework to three settings: (i) synthetic Gaussian mixtures, where SSA tracks mutual information; (ii) SDXL text-to-image generations, where SSA and DA capture structure that entropy and PCA miss; and (iii) molecular dynamics of alanine dipeptide, where DA recovers the known slow backbone dihedrals from static samples alone.
Authors: Zhida He, Xiaoyu Wen, Han Qi, Ziyuan Zhou, Peng Yu, Xingcheng Xu, Dongrui Liu, Xia Hu, Chaochao Lu, Qiaosheng Zhang
Abstract: Deploying LLMs in multi-turn dialogues facilitates jailbreak attacks that distribute harmful intent across seemingly benign turns. Recent training-based multi-turn jailbreak methods learn long-horizon attack strategies from interaction feedback, but often rely on coarse trajectory-level outcome signals that broadcast uniformly to every turn. However, we find that turn-level contributions in multi-turn jailbreaking are non-uniform, phase-dependent, and target-specific. Such coarse outcome supervision induces a credit assignment problem, leading to over-rewarding redundant turns in successful trajectories and under-crediting useful intermediate turns in failed ones. To address this, we propose TRACE, a turn-aware credit assignment framework for reinforcement learning (RL)-based multi-turn jailbreaking. For successful trajectories, TRACE estimates turn-level contributions via leave-one-turn-out semantic masking; for failed ones, TRACE assigns penalties based on prompt harmfulness and semantic relevance, with an additional local refusal-aware penalty. Furthermore, we reuse the attack-side credit signal for multi-turn defense alignment. Extensive experiments on open-source and closed-source targets show that TRACE achieves strong overall performance in effectiveness, transferability, and efficiency, yielding about a 25% relative improvement in attack success rate over the strongest RL baseline while also improving the safety-utility balance when reused for defense alignment.
Authors: Yixuan Qiu
Abstract: Optimal transport (OT) has emerged as a fundamental tool in modern machine learning, yet its computational cost remains a significant bottleneck for large-scale applications. While harnessing the massive parallelism of modern GPU hardware is critical for efficiency, the de facto standard Sinkhorn algorithm, despite its ease of parallelization, often suffers from slow convergence in challenging problems. More recently, the sparse-plus-low-rank quasi-Newton method offers a balance between convergence rate and per-iteration complexity; however, its efficiency on GPUs is severely hindered by the serial nature of sparse matrix symbolic analysis and irregular memory access patterns. To bridge this gap, we present cuRegOT, a high-performance GPU solver tailored for entropic-regularized OT. We introduce a suite of algorithmic and architectural optimizations, including an amortized symbolic analysis strategy to mitigate CPU bottlenecks, an asynchronous Sinkhorn iterates generation mechanism, and a fused kernel for bandwidth-efficient gradient evaluation. These strategies are backed by rigorous theoretical guarantees ensuring algorithmic convergence. Extensive numerical experiments demonstrate that cuRegOT achieves significant speedups over state-of-the-art GPU-based solvers across a variety of benchmark tasks.
Authors: Ziyao He, Yingjie Liu, ZhangYangRui, Mingsong Chen, Xuan Tang, Xian Wei
Abstract: Accurate 3D scene description is fundamental to robotic navigation and augmented reality, yet current dense captioning methods face significant limitations in processing sparse point cloud data. % Existing approaches that apply Euclidean embedding spaces struggle to simultaneously preserve fine-grained local geometric details and model exponentially growing global semantic hierarchies, leading to either inaccurate localization or disjointed, shallow scene descriptions. % In this work, we propose a novel \textbf{\textsc{Curvature-Aware Captioning}} framework, integrating novel non-Euclidean geodesic attention mechanisms, to resolve the localization-contextualization conflict. % Specifically, self-attention within Oblique space enforces dimensional homogeneity while establishing long-range dependencies. Bidirectional geodesic cross-attention within Lorentz space models hierarchical semantic relationships across scene instances, enabling simultaneous precision in object localization and coherence in scene descriptions. % Theoretical analysis confirms that the curvature complementarity between the Oblique manifold and Lorentz hyperboloid resolves the Euclidean-hyperbolic conflict, ensuring feature stability via isotropic optimization while preserving inherent hierarchical relationships. Extensive experiments on ScanRefer and Nr3D benchmarks demonstrate state-of-the-art performance, with significant gains in both localization accuracy and descriptive richness.
Authors: Zhongjie Shi, Wenjing Liao
Abstract: This paper investigates the learning theory of Transformer networks for regression tasks on the compact Euclidean domain $[0,1]^d$ and $d$-dimensional compact Riemannian manifolds. We propose a novel constructive approximation framework for Transformers that builds local approximations of the target function and aggregates them into a global approximation via softmax partition of unity. This approach leverages the attention mechanism to achieve spatial localization through affine transformations of the input. The softmax activation plays a crucial role in aggregating local approximations to a global output. From an approximation perspective, we prove that a dense Transformer equipped with only two encoder blocks and standard single-hidden-layer point-wise feed-forward networks can achieve a uniform $\varepsilon$-approximation error for $\alpha$-H\"older continuous functions with $\alpha \in (0,1]$ using $\mathcal{O}(\varepsilon^{-d/\alpha})$ total parameters. Building upon this approximation guarantee, we establish a near minimax-optimal generalization error bound of order $\mathcal{O}\big(n^{-\frac{2\alpha}{2\alpha+d}} \log n\big)$ for the empirical risk minimizer, where $n$ is the training data size. The Transformer architecture studied in this paper is dense, shallow and wide, and employs softmax activation and sinusoidal positional encodings, closely reflecting practical implementations.
Authors: Felix Krones
Abstract: Deep learning techniques have revolutionised medical imaging, improving diagnostic accuracy and enabling both more accurate and earlier disease detection. However, the relationship between pre-training strategies and downstream performance in medical imaging models requires further exploration. Here, we systematically compare convolutional neural networks and transformers, examining various pre-training approaches, including supervised and self-supervised learning, as well as different initialisations and data modalities. Models are evaluated on natural images, chest X-rays, chest CT and retina OCT images, considering the effects of matching pre-training data with target modalities. Our findings indicate that only pre-training on data closely matching the target modality significantly improves downstream performance. While self-supervised learning can outperform supervised methods, its effectiveness varies with context. The study underscores the importance of pre-training strategies to enhance the reliability and effectiveness of deep learning models in medical imaging. By addressing these key factors, our research aims to contribute to the development of more accurate and dependable diagnostic tools, ultimately improving patient outcomes in clinical settings.
Authors: Yuan Mei, Xingyu Song, Xiaowen Song, Naoya Takeishi
Abstract: Neural surrogate models for physical simulations are trained on discretized samples of continuous domains, where the induced empirical measure leads to uneven supervision, biasing optimization and causing spatial inconsistencies in physical fidelity. To mitigate this measure-induced bias, we propose M$^3$ (Multi-scale Morton Measure), a scalable framework that balances training measures by partitioning space according to physical variation and allocating supervision across multiple scales. Applied to three industrial-scale datasets with diverse discretizations, M$^3$ consistently improves predictions in the continuous physical domain, achieving up to 4.7$\times$ lower error in large-scale volumetric cases. These gains persist under aggressive subsampling (160M $\rightarrow$ 16M $\rightarrow$ 1.6M points), where M$^3$-trained models outperform those trained on higher-resolution data, reducing physics-weighted relative $L_2$ error by 3--4$\times$ and the corresponding MSE by up to 13$\times$. These results highlight data distribution as a key factor in operator learning and position M$^3$ as a scalable, data-efficient approach for physically consistent modeling.
Authors: Peter Richt\'arik, Kaja Gruntkowska, Hanmin Li
Abstract: We design Local LMO - a new projection-free gradient-type method for constrained optimization. The key algorithmic idea is to replace the global linear minimization oracle over the constraint set used by Frank-Wolfe (FW) with a local linear minimization oracle over the intersection of the constraint set and a "small" ball centered at the current iterate. In particular, when minimizing $f:\mathbb{R}^d\to \mathbb{R}$ over a constraint $\emptyset\neq\mathcal{X}\subseteq\mathbb{R}^d$, Local LMO performs the iteration \[x_{k+1}\in \arg\min_{z\in\mathcal{X}\cap\mathcal{B}(x_{k},t_k)}\langle\nabla f(x_{k}), z \rangle,\] where $x_0\in\mathcal{X}$, and $t_k>0$ is a suitably chosen radius which can be interpreted as an effective stepsize. While designed as an alternative to FW, Local LMO is perhaps best viewed as a generalization of Gradient Descent (GD) rather than a modification of FW. Indeed, it is easy to see that Local LMO reduces to GD in the unconstrained setting and, more generally, to GD restricted to an affine subspace if the constraint $\mathcal{X}$ is affine. We prove that this simple algorithmic scheme transfers the known (unaccelerated) convergence rates of Projected Gradient Descent (PGD) to the projection-free world in several important regimes, some of which are beyond the reach of FW. In contrast to FW theory, i) our guarantees hold without requiring the feasible set $\mathcal{X}$ to be bounded, ii) our theory does not require the "curvature" assumption, which allows us to establish a standard sublinear rate for convex functions with bounded gradients, iii) we obtain a linear rate in the smooth strongly convex regime. Furthermore, we obtain sharp sublinear rates in the smooth convex and non-convex regimes, in the $(L_0,L_1)$-smooth convex regime, and in stochastic and non-differentiable settings.
Authors: Jialin Li, Zhuo Zhang, Yue Cao, Guipeng Lan, Jiabao Wen, Shuai Xiao, Jiachen Yang
Abstract: The scarcity of high-quality imaging data for coronary angiography (CAG) stenosis limits the clinical translation of automated stenosis detection. Synthetic stenosis data provides a practical avenue to augment training sets, improving data quality, diversity, and distributional coverage, and enhancing detection precision and generalization. However, diffusion-based editing commonly relies on soft guidance in a noise-initialized reverse process, offering limited pixel-level precision and structure preservation. We propose the OT-Bridge Editor, which reframes localized editing as a constrained entropic optimal transport (OT) problem and leverages geometric information to steer the generation path, enabling stronger geometric control. Extensive experiments show that our synthesized angiograms consistently improve downstream stenosis detection, yielding substantial relative gains of 27.8% on the public ARCADE benchmark and 23.0% on our multi-center dataset, supported by consistent qualitative results.
Authors: Shota Fujikawa, Issei Sato
Abstract: Hallucination detection has become increasingly important for improving the reliability of large language models (LLMs). Recently, hybrid approaches such as HaMI, which combine semantic consistency with internal model states via Multiple Instance Learning (MIL), have achieved state-of-the-art performance. However, these methods incur substantial computational overhead due to repeated sampling and costly semantic similarity computations. In this work, we first provide a theoretical analysis of HaMI in terms of decision margins, revealing that scaling internal states with semantic consistency leads to an enlarged decision margin. Motivated by this insight, we revisit classical sentence classification models from a margin enlargement perspective, aggregating token-level features via max pooling and directly estimating sentence scores using a lightweight MLP. Without requiring semantic consistency computations, our approach achieves substantial efficiency improvements while maintaining competitive performance with state-of-the-art baselines through adaptive aggregation of internal feature representations.
Authors: Pouria Fatemi, Hoomaan Maskan, Suvrit Sra, Peyman Mohajerin Esfahani
Abstract: Inverse optimization (IO) seeks to infer the parameters of a decision-maker's objective from observed context--action data. We study noiseless IO, where demonstrations are generated by a ground-truth objective. We provide a high-probability ${O}(\frac{d}{T})$ generalization bound for the induced action set, where $d$ is the number of unknown parameters and $T$ is the size of the training dataset. We strengthen these guarantees under additional conditions that ensure uniqueness of the chosen action, bringing our IO guarantees in line with best-arm identification results in the bandit literature. We further show that the ${O}(\frac{d}{T})$ rate is tight over all consistent estimators considered here, and extend the result to both instantaneous and cumulative regret. Notably, the resulting regret lower bound matches the corresponding upper bounds in the adversarial setting, indicating that the stochastic IO setting is effectively adversarial for the class of estimators studied here. Finally, we propose a parameter-free algorithm with lower per-iteration complexity than generic solvers. Experiments validate the predicted rates and illustrate the tightness of our bounds.
Authors: Zhirayr Tovmasyan, Artavazd Maranjyan, Peter Richt\'arik
Abstract: Large-scale machine learning models are trained on clusters of machines that exhibit heterogeneous performance due to hardware variability, network delays, and system-level instabilities. In such environments, time complexity rather than iteration complexity becomes the relevant performance metric for optimization algorithms. Recent work by Tyurin and Richt\'{a}rik (2023) established the first time complexity analysis for parallel first-order stochastic optimization, proposing Rennala SGD as a time-optimal method for smooth nonconvex optimization. However, Rennala SGD is fundamentally a modification of SGD, and variance reduction techniques are known to improve the iteration complexity of SGD. In this work, we investigate whether variance reduction can also improve time complexity in heterogeneous systems. We show that, under a mean-squared smoothness assumption, variance reduction can improve time complexity in relevant parameter regimes. To this end, we propose Rennala MVR, a variance-reduced extension of Rennala SGD based on momentum-based variance reduction, and analyze its oracle and time complexity. We establish lower bounds for time complexity under these assumptions. On a stochastic quadratic benchmark, experiments with the exact method support the theory, while neural-network experiments with a practical inexact variant show similar empirical gains over Rennala SGD.
Authors: Zhuoyun Li, Boxuan Wang, Jinwei Hu, Xiaowei Huang, Yi Dong
Abstract: Robust adaptation of LLMs and VLMs is often evaluated by average accuracy or average consistency under perturbations. However, these averages can hide a structured failure mode: a prediction may remain correct while probability mass already flows from particular true classes toward systematic wrong competitors near the decision boundary. In this paper, we formalize this phenomenon as margin-aware error flow and introduce FragileFlow, a plug-in regularizer that uses a calibrated margin buffer to identify correct-but-fragile predictions and organize their off-class probability mass into a class-wise vulnerable-risk matrix. Theoretically, we provide the first PAC-Bayes upper bound for this margin-aware error-flow object, showing how empirical spectral control yields a conservative route to deterministic worst-class robustness under a stability condition. Experiments on multiple-choice LLM benchmarks and few-shot CLIP adaptation show that FragileFlow consistently improves the proposed theory-facing risk measures over matched baselines, yields perturbed worst-class accuracy gains in most settings, and preserves clean accuracy across comparisons.
Authors: Hira Nasir, Eiman Javed, Balawal Shabir, Zunera Jalil, Ahmad Mohsin
Abstract: The new wave of adversarial attacks that utilize gradient-related vulnerabilities in neural network-based classifiers makes Network Intrusion Detection Systems more open to such threats. Although state-of-the-art adversarial training methods have shown promising results in producing more robust classifiers, their interpretability and defense ability are limited due to their lack of understanding of how adversarial attacks propagate in different layers of network classifiers. In this paper, we present an insightful approach, called LARAR (Layer-wise Adversarial Robustness using Adaptive Regularization), that incorporates additional layer-wise vulnerability analysis and adaptive weighting in conventional adversarial training methods. Additionally, we utilize 'Auxiliary Classifiers' in our approach. LARAR provides interpretable layer-wise vulnerability scores, achieves a clean accuracy of 95.01%, and provides better robustness against adversarial attacks (FGSM, PGD, and transfer attacks) on the UNSW-NB15 dataset. Through the identification of vulnerable layers, the proposed framework reduces computational complexity and enables the early detection of adversarial samples, thus enhancing the effectiveness and interpretability of adversarial defense mechanisms in NIDS.
Authors: Hao Wu, Fan Xu, Yuxu Lu, Penghao Zhao, Fan Zhang, Hao Jia, Yuxuan Liang, Ruijian Gou, Qingsong Wen, Xian Wu, Xiaomeng Huang, Yuan Gao
Abstract: Coupled spatiotemporal forecasting is important for predicting the future evolution of multiple interacting dynamical systems, such as in climate models. However, existing methods are severely constrained by the persistent bottleneck of compounding errors. In coupled systems, errors from each subsystem simulator propagate and amplify one another, a phenomenon we term Reciprocal Error Amplification, leading to a rapid collapse of long-range predictions. To address this challenge, we propose a universal framework called PnP-Corrector (Plug-and-Play Corrector). The core idea of our framework is to decouple the physical simulation from the error correction process: it freezes pre-trained physics simulation engines and exclusively trains a correction agent to proactively counteract the systematic biases emerging from the coupled system. Furthermore, we design an efficient predictive model architecture, DSLCast, to serve as the backbone of this framework. Extensive experiments demonstrate that our method significantly enhances the long-term stability and accuracy of coupled forecasting systems. For instance, in the challenging task of a 300-day global ocean-atmosphere coupled forecast, our PnP-Corrector framework reduces the prediction error of the baseline model by 29% and surpasses state-of-the-art models on several key metrics.
Authors: Dongcheng Zhang, Yi Zhang, Yuxin Chen, An Zhang, Xiang Wang, Chaochao Lu
Abstract: Large Reasoning Models possess remarkable capabilities for self-correction in general domain; however, they frequently struggle to recover from unsafe reasoning trajectories under adversarial attacks. Existing alignment methods attempt to mitigate this vulnerability by fine-tuning the model on expert data including reflection traces or adversarial prefixes. Crucially, these approaches are often hindered by static training data which inevitably deviate from model's dynamic, on-policy reasoning traces, resulting in model hardly covering its vast generation space and learning to recover from its own failures. To bridge this gap, we propose Self-ReSET, a pure reinforcement learning framework designed to equip LRMs with the intrinsic capacity to recover from their own safety error trajectories, which are subsequently reused as an initial state for reinforcement learning. Extensive experiments across various LRMs and benchmarks demonstrate that Self-ReSET significantly enhances robustness against adversarial attacks especially out-of-distribution (OOD) jailbreak prompts while maintaining general utility, along with efficient data utilization. Further analysis reveals that our method effectively fosters self-recovery patterns, enabling models to better identify and recover from unsafe intermediate error states back to benign paths. Our codes and data are available at https://github.com/Ing1024/Self-ReSET.
Authors: Ali Baheri, David Millard, Ignacio Laguna Peralta
Abstract: Fourier Neural Operators (FNOs) can greatly accelerate PDE simulation, but they are often used without formal guarantees that they preserve basic physical structure. We show that, once the trained weights and grid are fixed, the spectral convolution in an FNO is a linear map. As a result, the full forward pass is piecewise-linear and can be represented exactly in Z3's linear real arithmetic. We study two encodings. The exact encoding compiles the spectral convolution into a dense matrix multiplication, which is sound for both proofs and counterexamples. The lighter frozen encoding replaces the spectral path with a constant, making it faster but approximate. On 10 small FNO surrogates for 1D advection-diffusion-reaction (85 to 117 parameters, grids 8 to 32), the exact encoding gives 2 sound positivity proofs on linear (ReLU-free) models, 5 sound positivity counterexamples, and 10 sound mass-violation counterexamples; the remaining 3 positivity queries on ReLU models time out. For mass non-increase, Z3 finds worse counterexamples than both gradient-based falsification and Monte Carlo on 7 of 10 models. The frozen encoding scales to grid size 64 with sub-second positivity checks, but it no longer provides certificates for the original FNO. Overall, the results make the soundness--scalability tradeoff explicit and point to what is needed for formal verification of production-scale neural operators.
Authors: Chengqian Zhang, Yucheng Jin, Duo Zhang, Tiejun Li, Han Wang
Abstract: Crystal generative models mainly learn what stable crystals look like, with little explicit supervision for what makes them stable. We reveal a substantial representation gap between state-of-the-art crystal generative models and pretrained universal machine learning interatomic potentials (MLIPs) via energy probing, and show this gap can be closed by a simple training-time alignment. We propose Crystal REPresentation Alignment (CrystalREPA), a plug-and-play framework that aligns the atom-wise hidden states of generative encoders with frozen MLIP representations through an element-aware contrastive objective, transferring stability-aware atomistic priors with marginal training overhead and no additional inference cost. Across three generative frameworks, ten MLIP teachers, and two benchmark datasets, CrystalREPA consistently improves the thermodynamic stability, structural validity, and structural fidelity of generated crystals. Equally important, we find that an MLIP's transfer effectiveness is poorly predicted by its accuracy on standard leaderboards (e.g., Matbench Discovery) but strongly predicted by the distinguishability of its atom-wise representation space, yielding a practical, accuracy-independent criterion for selecting MLIP teachers for generative transfer.
Authors: YongKyung Oh, Henry W. Zheng, Jeffrey Feng, Alex A. T. Bui
Abstract: Machine Learning (ML) models trained on complex health surveys such as the National Health and Nutrition Examination Survey (NHANES) often ignore primary sampling units, stratification variables, and sampling weights. This practice violates the independence assumptions of standard evaluation methods. As a result, estimates become biased, uncertainty is underestimated, and fairness assessments fail to reflect population-level disparities. We propose Survey-aware Machine Learning (SaML), a nine-step guideline that incorporates survey design metadata across the ML lifecycle. Through a scoping review of 16 methodological papers, we summarize existing work on weighted model training, design-based cross-validation, and survey-adjusted performance evaluation. We also identify gaps in hyperparameter tuning and deployment. We provide task-specific guidance that clarifies which steps are required for different analytical objectives. SaML provides a checklist for valid population inference from survey data.
Authors: Oyinkansola Romiluyi
Abstract: The current catalyst discovery and development pipeline for energy-intensive applications like methane conversion remains bottlenecked by expensive trial-and-error experimentation, irreproducible chemical intuition, and a lack of frameworks linking complex catalytic design spaces to performance. This work presents an interpretable machine learning framework that integrates SHAP-based feature importance analysis (Explainable AI) with tree-based ensembles (Random Forest and Bayesian-optimized CatBoost) to characterize Fe-zeolite and oxide-supported catalysts for the partial oxidation of methane (POM). Despite limited data, the framework decodes complex structure-performance relationships by identifying and ranking thermodynamic, structural, and geometric microdescriptors that influence the electronic band gap and govern macroscale performance metrics such as selectivity, activity, and stability. This work explicitly demonstrates that thermodynamic lattice stability and geometric factors are the primary drivers of electronic band gap (a critical proxy for redox reactivity) rather than bulk stoichiometry. Non-linear models achieve an R2 of 0.61 - 0.77, significantly outperforming traditional linear baselines (R2 = 0.32). This workflow provides both a light-weight generalizable methodology and a prioritized list of physical features for accelerated catalyst screening - and these features can subsequently be integrated into microkinetic and reaction engineering models to create digital twins of complex reactor systems and to enable predictive optimization in autonomous R&D laboratories.
Authors: Luca Ballore
Abstract: Sardinian, a Romance language with roughly one million speakers, has minimal presence in modern NLP. Commercial services do not support it, and current language models do not produce it reliably. We present LLiMba, a 3B parameter Sardinian-ready model adapted from Qwen2.5-3B-Instruct through continued pretraining (CPT) and supervised fine-tuning (SFT) on a single 24 GB consumer GPU. The corpus contains 11.5 million tokens of Sardinian spanning LSC, Logudorese, and Campidanese, augmented with 2.4 million tokens of related Romance text as replay against register blurring. After CPT the model reaches a perplexity of 6.76 on held out Sardinian and outperforms the base across all six FLORES-200 directions. We compare five SFT configurations under matched conditions: full fine-tuning, LoRA r64, rsLoRA r128, rsLoRA r256, and DoRA r256. rsLoRA r256 wins on every direction into Sardinian, reaching 28.5 BLEU from English against 17.3 after CPT and 21.0 with full fine-tuning. The rank ablation places r128 between LoRA r64 and rsLoRA r256 on BLEU but reveals failure modes invisible to the metric, including leakage across scripts no other variant produces. LoRA r64 retains less factual content from SFT than configurations at higher rank and produces more confident fabrications, though all methods fabricate on content absent from training. DoRA r256 yields the smallest gap between training and evaluation but the worst factual accuracy. The findings indicate that adapter capacity matters more than the choice among LoRA variants for adapting a Romance pretrained base to a low resource Romance target, that stronger regularization is not uniformly beneficial, and that translation metrics smoothly order configurations whose qualitative behavior differs categorically. Perplexity comparisons across scripts must account for byte fallback tokenization, which deflates the metric for scripts other than Latin.
Authors: Chun-Wun Cheng, Sifan Wang, Carola-Bibiane Sch\"onlieb, Angelica I. Aviles-Rivero
Abstract: Neural operators have emerged as powerful data-driven solvers for PDEs, offering substantial acceleration over classical numerical methods. However, existing transformer-based operators still face critical challenges when modeling PDEs on complex geometries: directly processing over massive mesh points is computationally expensive, while operating in raw discretization coordinates may obscure the intrinsic geometry where physical interactions are more naturally expressed. To address these limitations, we introduce the Charted Axial Transformer Operator (CATO), a geometry-adaptive and derivative-aware neural operator for PDEs on general geometries. Instead of applying attention directly in the physical coordinate system, CATO learns a continuous latent chart that maps mesh coordinates into a learned chart space, where chart-conditioned axial attention efficiently captures long-range dependencies with reduced computational cost. In addition, CATO introduces a derivative-aware physics loss for steady-state PDEs that jointly supervises solution values, mesh-consistent gradients, and an auxiliary flux-like field, improving physical fidelity and reducing oversmoothing. We further provide a theoretical approximation result showing that, under a favorable chart, charted axial attention can represent low-rank axial solution operators with controlled error, and that small chart perturbations induce bounded approximation degradation. CATO achieves the best performance across all evaluated datasets, yielding an average improvement of approximately 26.76\% over the strongest competing baselines while reducing the number of parameters by 81.98\%. These results highlight the effectiveness of learning geometry-adaptive charts and derivative-aware physical supervision for accurate and efficient PDE operator learning.
Authors: Zongmin Yu, Liu Yang
Abstract: We introduce Evolutionary Ensemble (EvE), a decentralized framework that organizes existing, highly capable coding agents into a live, co-evolving system for algorithmic discovery. Rather than reinventing the wheel within the "LLMs as optimizers" paradigm, EvE fixes the base agent substrate and focuses entirely on evolving the cumulative guidance and skills that dictate agent behaviors. By maintaining two co-evolving populations, namely functional code solvers and agent guidance states, the system evaluates agents through a synchronous race, updating their empirical Elo ratings based on the marginal gains they contribute to the current solver state. When applied to a research bottleneck in In-Context Operator Networks (ICON), EvE autonomously discovered a robust rescale-then-interpolate mechanism that enables reliable example-count generalization. Crucially, controlled ablations reveal the absolute necessity of stage-dependent agent adaptation to navigate the shifting search landscapes of complex codebases. Compared to variants driven by a fixed initial agent or even a frozen "best-evolved" agent, EvE uniquely avoids phase mismatch, demonstrating that organizing agents into a self-revising ensemble is the fundamental driver for breaking through static performance ceilings.
Authors: Josep Lumbreras, Marco Tomamichel
Abstract: We extend quantum state tomography with minimal cumulative disturbance, first investigated in [arXiv:2406.18370], to arbitrary finite-dimensional pure states. A learner sequentially receives fresh copies of an unknown pure state, chooses a rank-one projector for each copy using the previous outcomes, and performs the corresponding two-outcome projective measurement. The goal is to learn the state while keeping the chosen projectors close to the unknown state in order to minimize disturbance. The qubit solution relies on the special geometry of the Bloch sphere and does not extend directly to qudits, where pure states form a curved manifold. We show that this obstruction can be overcome by working locally on the pure-state manifold. The algorithm proceeds in epochs. In each epoch, it fixes a current estimate, measures pairs of nearby rank-one projectors obtained by moving in opposite tangent directions, and takes differences of the corresponding outcomes. This gives an exact linear observation of the tangent component of the error. The resulting local linear models are combined with a robust variance-adaptive estimator and a hot-start regularization that transfers precision across epochs. For every unknown pure state in dimension \(d\), after \(T\) measured copies, our protocol achieves cumulative regret \(\mathcal{O}(d^3\log^2 T)\), and at each intermediate time \(t\leq T\) its current estimate has online infidelity \(\mathcal{O}(d^3\log(T)/t)\). Hence, pure-state tomography with essentially no cumulative disturbance is not a peculiarity of qubits but a geometric phenomenon that persists for qudits.
Authors: Kiran Naseer, Naveed Anwer Butt
Abstract: Federated learning enables hospitals to collaboratively train segmentation models without sharing patient data. However, current evaluation protocols report only average performance across clients, masking failures at individual sites. In clinical deployment, a model that fails consistently at one hospital is a real safety risk that a good mean score can hide entirely. We introduce MedFL-Stress, a controlled stress-testing framework that exposes exactly this failure mode. Using 2D axial slices from BraTS 2020 distributed across four simulated hospital clients, we apply graded MRI appearance shifts (gamma contrast, scale-shift, and noise-plus-blur) reflecting scanner and acquisition variability in real multi-site deployments. Three federated baselines are evaluated: FedAvg, FedProx, and FedBN. Worst-hospital Dice and inter-hospital disparity are treated as primary metrics, not supplementary observations. FedAvg achieves the highest global mean Dice (0.8159) but conceals a 0.0850 gap between its best and worst-performing hospital. FedBN closes that gap by 41% (0.0850 to 0.0503) while sacrificing less than half a Dice point in mean accuracy (0.8159 to 0.8109), and the weakest hospital gains 3.5 Dice points outright (0.7309 to 0.7656). These findings demonstrate that robustness-oriented evaluation protocols are essential for reliable federated medical imaging deployment.
Authors: Alexandre Le Mercier, Chris Develder, Thomas Demeester
Abstract: In multi-agent systems (MAS), a single deceptive agent can nullify all gains of an agentic AI collective and evade deployed defenses. However, existing adversarial studies on MAS target only shallow tasks and do not consider adaptive adversaries, which evolve their strategies to evade the very detectors trained to catch them. To address that gap, we introduce GAMBIT, a benchmark with three evaluation modes and two independent scores for evaluating imposter detectors: the first two modes measure zero-shot detection under increasing distribution shift, and a third recalibration mode measures how quickly a detector adapts to novel attacks from just 20 labeled examples. The benchmark comes with a dataset of 27,804 labeled instances spanning 240 co-evolved imposter strategies. Our contributions are threefold: (1) Using chess as a substrate deep reasoning problem and Gemini 3.1 Pro for agents, we release GAMBIT and its dataset to evaluate imposter detectors under realistic constraints against a stealthy adaptive imposter; (2) We introduce an adaptive imposter agent based on an efficient evolutionary framework, generalizable beyond chess, that collapses collective task performance while remaining essentially undetectable (50.5% F1-score with a Gemini-based detector); (3) We show that zero-shot evaluation can be highly misleading for adaptive adversaries: two detectors with near-identical zero-shot scores differ by 8x on few-shot adaptation, while the meta-learned variant converges 20x faster, a gap only visible in the recalibration mode. Altogether, GAMBIT provides the first multi-agent benchmark where adversarial attacks and defenses co-evolve, with an imposter framework generalizable beyond our use case, and promising techniques for fast recalibration in a rapidly evolving adversarial system. Code and data: https://anonymous.4open.science/r/gambit.
Authors: J\"org Frochte
Abstract: Raw cosine in the 768-dimensional output space of the Contrastive Style Descriptor (CSD) is now widely read as an absolute, calibrated style-fidelity score for text-to-image and style-imitation evaluation. We introduce the discrimination gap, a corpus-internal, prototype-free and threshold-free diagnostic that tests whether contrastive style cosines admit an absolute same-versus-different interpretation on a candidate artist corpus. On a 1799-artwork, 91-artist public-domain corpus, raw CSD cosine yields negative point-estimate gaps for $23/91$ artists at the pairwise level ($2/91$ robust under bootstrap) and for $15/91$ in the aggregated-pool scoring regime style-fidelity evaluations typically use. CSLS readout on the frozen backbone reduces the aggregated negative-gap count to $4/91$; combined with positional-embedding interpolation to $336$ pixels it raises unsupervised pair-verification AUC from $0.883$ to $0.905$ across $25$ artist-disjoint splits. We refer to this diagnostic-driven readout protocol on the frozen backbone (CSLS as default, pos-interp $336$ as the stronger optional setting) as CSD+, not a new encoder.A cross-backbone check on CLIP-ViT-L/14, SigLIP-large and DINOv2-Large reproduces the same shared-tradition failure pattern, providing evidence that the residual reflects a shared limitation of the four backbones we tested rather than a CSD-specific artefact. Practical implication: before reporting CSD cosine as an absolute style-fidelity score, run the diagnostic on the candidate corpus; CSLS is the minimal correction when it fails.
Authors: Pavan Manjunath, Thomas Prufer
Abstract: Reliable short horizon forecasting of solar and wind generation is a structural prerequisite of any modern power system yet most published forecasters are tuned and evaluated on a single climatic regime and most algorithmic novelty has been concentrated either on classical recurrent networks or on monolithic foundation models that combine forecasting and explanation We develop a four stage hybrid framework that separates these concerns The first stage acquires hourly generation irradiance and surface weather records through public application programming interfaces The second stage trains three classical baselines autoregressive integrated moving average gradient boosted regression trees and a two layer long short term memory network and produces a strong point forecast together with a residual error series The third stage corrects the residual through a quantum inspired variational kernel built on a six qubit hardware efficient ansatz with three repeated entangling layers The fourth stage uses generative artificial intelligence strictly as an explainability layer that reads the measured benchmark numbers and produces a structured natural language interpretation Across three regions drawn from open public archives Iberian solar North Sea wind and a mixed Texas trace the proposed configuration stays within one percentage point of the strongest classical baseline on the in domain forecasting task and the quantum inspired kernel separates calm and stormy weather regimes with a Fisher discriminant ratio approximately fifteen fold higher than a tuned radial basis kernel
Authors: Hongwei Zhang, Qiqiang Zhong, Jiangxia Cao, Yiyang Lv, Huanjie Wang, Liwei Guan, Jing Yao, Yiyu Wang, Junfeng Shu, Zhaojie Liu, Han Li
Abstract: Modeling ultra-long user sequences involves a difficult trade-off between efficiency and effectiveness. While current paradigms rely on either item-specific search or item-agnostic compression, we propose UxSID, a framework exploring a third path: semantic-group shared interest memory. By utilizing Semantic IDs (SIDs) and a dual-level attention strategy, UxSID captures target-aware preferences without the heavy cost of item-specific models. This end-to-end architecture balances computational parsimony with semantic awareness, achieving state-of-the-art performance and a 0.337% revenue lift in large-scale advertising A/B test.
Authors: Vojt\v{e}ch Votruba, Zequn He, Weilun Qiu, Celia Reina, Michal Pavelka
Abstract: We introduce Nonlinear GENERIC Informed Neural Networks (N-GINNs), a deep learning framework for discovering evolution equations of systems governed by the nonlinear GENERIC formalism (General Equation for Non-Equilibrium Reversible-Irreversible Coupling). Such systems exhibit coupled conservative and dissipative dynamics, and can be described via the superposition of a Hamiltonian flow and a generalized gradient flow. In contrast to existing approaches, our formulation incorporates generalized gradient flows via convex dissipation potentials, enabling the identification of a broader class of thermodynamically consistent dynamics, including systems with non-quadratic dissipation potentials. Thermodynamic structure is strongly enforced by construction through suitable reparameterizations of both the bivector operator and the dissipation potential, ensuring exact compliance with the first and second laws of thermodynamics. We validate the proposed approach on three representative examples: a harmonic oscillator coupled to a heat bath, an idealized chemical motor, and a one-dimensional viscoplastic model of Perzyna type. These results demonstrate the method's ability to accurately infer thermodynamically consistent models from data for systems incorporating both conservative and nonlinear dissipative dynamics.
Authors: Runyao Yu, Julia Lin, Derek W. Bunn, Jochen Stiasny, Wentao Wang, Yujie Chen, Tara Esterl, Peter Palensky, Jochen L. Cremer
Abstract: Accurate and efficient imbalance electricity price forecasting is critical for industrial energy trading systems, especially as battery assets and automated bidding pipelines increasingly participate in balancing markets. However, real-time forecasting is complicated by nonlinear market-rule-based price formation, heterogeneous input signals, and incomplete data availability caused by communication delays, publication lags, and measurement outages. This paper proposes a market-rule-informed neural forecasting framework that embeds imbalance price formation rules into the latent space of an expressive neural network. The proposed framework preserves raw signal information while exploiting transparent market-rule priors. We further analyze operational robustness by removing price-component information and characterize how forecasting performance scales with input length and forecasting horizon. Experimental results show that the proposed model achieves competitive forecasting performance with substantially fewer trainable parameters and shorter training time than generic deep learning baselines. Experimental results show that the proposed model achieves competitive forecasting performance with substantially fewer trainable parameters and shorter training time than generic deep learning baselines, demonstrating that market-rule priors and expressive neural networks should be jointly used for accurate and computationally sustainable forecasting in industrial energy trading applications. The implementation is publicly available at https://runyao-yu.github.io/MRINN/.
Authors: Rajalaxmi Rajagopalan, Romit Roy Choudhury
Abstract: Scene graphs (SGs) represent objects and their relationships as structured graphs, enabling applications in image generation, robotics, and 3D understanding. Recent work suggests that conditioning image generation on scene graphs improves compositional fidelity compared to text-only prompting. However, since users typically provide text rather than structured graphs, a key challenge is to generate scene graphs from natural language. Prior work on discrete diffusion has demonstrated success in generating generic graphs such as molecules and circuits, but fails to account for the hierarchical structure and strong dependencies between objects, edges, and relations in scene graphs. We address this limitation by introducing a dependency-aware, hierarchically constrained discrete diffusion model for scene graph generation. Our approach decouples structure and semantics across the forward and reverse processes, enabling the model to capture conditional dependencies. At inference time, we perform training-free conditioning to sample text-aligned scene graphs. We evaluate our method on standard SG benchmarks and demonstrate improvements over both continuous and discrete graph generation baselines across graph and layout metrics. When fed to downstream image generation, our approach yields improved compositional alignment compared to text-to-image models, particularly in multi-object scenarios.
Authors: Swarnali Raha, Kshitij Khare, Rohit K Patra
Abstract: Although the Laplace approximation offers a simple route to uncertainty quantification in deep neural networks, its reliance on inverting large Hessian matrices has motivated a range of computationally feasible low-dimensional or sparse approximations. A prominent class of such methods - sub-network Laplace approximations, constructs surrogates by restricting attention to a small subset of parameters. Existing approaches in this family typically rely on diagonal, layer-wise, or other architectural heuristics for subset selection, which ignore cross-parameter interactions and lack formal optimality guarantees. In this paper, we provide a rigorous theoretical analysis of the sub-network Laplace paradigm. We prove that all sub-network Laplace methods systematically underestimate the predictive variance of the full Laplace posterior, and that this bias decreases monotonically as the retained sub-matrix expands. Leveraging this insight, we propose two principled, analytically grounded sub-network Hessian approximations: \textit{Gradient-Laplace} selects parameters with the largest average squared gradients of the model output with respect to the parameters over a reference dataset; while \textit{Greedy-Laplace} iteratively refines this selection by accounting for off-diagonal interactions in the precision matrix. We establish theoretical guarantees characterizing their optimality properties and show that Gradient-Laplace provably outperforms existing heuristic approaches. Extensive numerical studies across diverse settings indicate that these methods perform strongly relative to existing benchmarks.
Authors: Haejoon Lee, Vincent-Daniel Yun, Hyeonho Oh, Dimitra Panagou, Sai Praneeth Karimireddy
Abstract: Large language model (LLM) agents increasingly collaborate over peer-to-peer networks to improve their reliability. However, these same interactions can also become a source of vulnerability, as unreliable or Byzantine agents may sway neighboring agents toward incorrect conclusions and degrade overall system performance. Existing methods rely on leader-based coordination or self-reported confidence, both of which are susceptible to adversarial manipulation. We study decentralized LLM multi-agent systems (LLM-MAS) and propose Self-Anchored Consensus (SAC), a fully decentralized iterative filter-and-refine protocol in which agents iteratively exchange responses, locally evaluate and filter unreliable messages, and refine their own outputs. We present $(F{+}1)$-robustness conditions for the communication graph that ensure honest agents preserve and propagate reliable information despite Byzantine influence. Experiments on mathematical and commonsense reasoning benchmarks show that SAC effectively suppresses Byzantine influence and consistently improves performance across diverse communication topologies, whereas prior methods degrade under adversarial conditions.
Authors: Aishwarya Fursule, Shruti Kshirsagar, Anderson R. Avila
Abstract: Audio deepfake detection systems are increasingly deployed in high-stakes security applications, yet their fairness across demographic groups remains critically underexamined. Prior work measures gender disparity but does not investigate where it comes from or how to fix it systematically. We present the first diagnosis-first framework that identifies bias source before applying targeted mitigation, evaluated on two models, AASIST and Wav2Vec2+ResNet18, on ASVSpoof5. Our diagnosis shows that bias does not stem from imbalanced training data but from acoustic representation differences, gender leakage in learned features, and structural evaluation asymmetry. We test mitigation strategies across in-processing, post-processing and combined families, including novel methods introduced in this work. Adjusting the decision threshold separately per gender reduces unfairness by 54% to 75% at no cost to detection accuracy, and our new epoch-level fairness regularisation method outperforms existing per-batch approaches. Adversarial debiasing succeeds only when gender leakage is localised, and fails when it is diffuse, an outcome correctly predicted by our diagnosis before training. No single method fully closes the fairness gap, confirming that bias sources must be identified before fixes are applied and that fairer benchmark design is equally important
Authors: Li-An Lo, Li-Yi Hsu, Hsien-Yi Hsieh
Abstract: Transfer learning under limited data is a challenging setting, where models must adapt to new tasks with minimal supervision. Prior work has primarily focused on improving absolute accuracy in transfer learning. However, empirical evidence comparing quantum and classical models in realistic transfer learning settings remains limited, especially in low-data regimes. In this work, we systematically study the robustness of quantum models under reduced training data. We evaluate multiple quantum and classical architectures across diverse transfer tasks and retraining configurations, and quantify robustness using accuracy degradation and relative performance retention (RPR). Our results show that, although classical models often achieve higher peak performance, they exhibit significantly larger degradation when training data is limited. In contrast, quantum models maintain more stable performance across data regimes, indicating improved robustness and data efficiency. These findings provide empirical evidence that quantum models can offer improved robustness in low-resource transfer learning scenarios.
Authors: Jannik Graebner, Ryne Beeson
Abstract: Preliminary low-thrust spacecraft mission design is a global search problem characterized by a complex solution landscape, multiple objectives, and numerous local minima. During this phase, mission parameters are often not yet fully defined, requiring new solutions to be generated at a high cadence across varying parameter values. When combined with the indirect approach to optimal control, diffusion models can accelerate this search by learning distributions that represent high-quality initial costates. However, generating training data remains expensive, and opportunities exist to better exploit past data. We propose a transfer-learning framework that combines homotopy in a mission parameter with Markov chain Monte Carlo (MCMC) to generate training data more efficiently. The approach reformulates a multiobjective optimization problem as sampling from an unnormalized target distribution in costate space. We compare three MCMC algorithms on a planar multi-revolution transfer in the circular restricted three-body problem, with homotopy in the system mass parameter. The results show that gradient-based MCMC variants achieve the best trade-off between sample quality and computational cost. For the test transfer, the proposed framework generates 40 % more feasible solutions and achieves a higher-quality Pareto front than a state-of-the-art indirect approach based on adjoint control transformations and gradient-based optimization. Finally, the MCMC-generated samples are used to fine-tune a diffusion model conditioned on the mass parameter, enabling it to learn a global representation of the underlying solution distribution and efficiently generate new solutions. These findings establish the transfer-learning framework as a practical method for efficiently solving indirect trajectory optimization problems with varying parameters.
Authors: Antonis Asonitis, Luca A. Lanzend\"orfer, Fr\'ed\'eric Berdoz, Roger Wattenhofer
Abstract: Automatic speech recognition (ASR) performs well for high-resource languages with abundant paired audio-transcript data, but its accuracy degrades sharply for most languages due to limited publicly available aligned data. To this end, we introduce WorldSpeech, a 24 kHz multilingual speech corpus comprising 65k hours of aligned audio-transcript data across 76 languages, collected from diverse public sources including parliamentary proceedings, international broadcasts, and public-domain audiobooks. For 37 languages, WorldSpeech provides more than 200 hours of aligned speech, with 28 exceeding 500 hours and 24 surpassing 1k hours. Fine-tuning existing ASR models on WorldSpeech results in an average relative Word-Error-Rate reduction of 63.5% across 11 typologically diverse languages.
Authors: Fabio Rovai
Abstract: A valid tool call is not necessarily a valid intervention. Tool-using language agents are guarded by schema validators, policy filters, provenance checks, state predictors, and self-verification, yet such safeguards do not certify that a state-changing action has an identifiable causal effect. In confounded workflows, the action that looks optimal in observational logs can reduce utility when executed. We introduce CIVeX, a causal intervention verifier that maps proposed actions to structural causal queries over a committed action-state graph, checks identifiability, and returns one of four auditable verdicts: EXECUTE, REJECT, EXPERIMENT, or ABSTAIN. Execution requires an assumption-scoped causal certificate carrying graph commitments, an identification argument, a one-sided lower confidence bound (LCB), provenance, and risk limits. On Causal-ToolBench (1,890 instances, 7 seeds), CIVeX yields zero observed false executions across moderate and adversarial confounding. Under adversarial confounding it reaches 84.9% accuracy and 81.1% of oracle utility (+2.23 vs +2.76) and is the only non-oracle method whose constrained utility under a zero-false-execution constraint exceeds the AlwaysAbstain floor. On IHDP and ZOZO Open Bandit (real production logs with uniform-random ground truth), CIVeX matches Oracle correct-execution within 0.1pp and cuts per-execute false-execution by >=50x over naive baselines. A chain-of-thought LLM verifier (Claude Opus, Sonnet) cuts false-execution by an order of magnitude over a terse baseline, yet under adversarial confounding Opus's utility falls to 74% of CIVeX's. Intervention identifiability, not action validity, is the missing primitive for reliable tool use.
Authors: Carla Griffiths, Mirco Musolesi
Abstract: Understanding how linguistic structure emerges in language models is central to interpreting what these systems learn from data and how much supervision they truly require. In particular, semantic role understanding ("who did what to whom") is a core component of meaning representation, yet it remains unclear whether it arises from pre-training alone or depends on task-specific fine-tuning. We study whether semantic role understanding emerges during language model pre-training or requires task-specific fine-tuning. We freeze decoder-only transformers and train linear probes to extract semantic roles, using performance to infer whether role information is already encoded in pre-training or learned during adaptation. Across model scales, we find that frozen representations contain substantial semantic role information, with performance improving but not fully matching fine-tuned models. This indicates partial but incomplete emergence from pre-training alone. We show that semantic role structure emerges from language modeling objectives, but its internal implementation shifts toward more distributed representations as model scale increases.
Authors: Zhiyang Dou, Minghao Guo, Haixu Wu, Doug Roble, Tuur Stuyck, Wojciech Matusik
Abstract: Learning-based simulation of multi-object rigid-body dynamics remains difficult because contact is discontinuous and errors compound over long horizons. Most existing methods remain tied to mesh connectivity and vertex-level message passing, which limits their applicability to mesh-free inputs such as point clouds and leads to high computational cost. Efficiently modeling high-fidelity rigid-body dynamics from mesh-free representations, therefore, remains challenging. We introduce RigidFormer, an object-centric Transformer-based model that learns mesh-free rigid-body dynamics with controllable integration step sizes. RigidFormer reasons at the object level and advances each object through compact anchors; Anchor-Vertex Pooling enriches these anchors with local vertex features, retaining contact-relevant geometry without dense vertex-level interaction. We propose Anchor-based RoPE to inject anchor geometry into attention while respecting the unordered nature of objects and anchors: object-token processing is permutation-equivariant, and the mean-pooled anchor descriptor is invariant to anchor reindexing while preserving shape extent. RigidFormer further enforces rigidity by projecting updates onto the rigid-body manifold using differentiable Kabsch alignment. On standard benchmarks, RigidFormer outperforms or matches mesh-based baselines using point inputs, runs faster, generalizes to unseen point resolutions and across datasets, and scales to 200+ objects; we also show a preliminary extension to command-conditioned articulated bodies by treating body parts as interacting object-level components.
Authors: Mitia Duerinckx, Borjan Geshkovski, Stefano Rossi
Abstract: We study causal self-attention dynamics -- a toy model for decoder Transformers -- which we interpret as a non-exchangeable interacting particle system. Adapting cumulant expansions to the triangular causal dependency structure of the model, and appealing to non-hierarchical methods to estimate correlations using Glauber calculus, we prove a quantitative mean-field limit result and a next-order characterization of correlations. For iid uniformly distributed tokens, the limiting correlation equation can be solved in closed form and we obtain a rigorous explanation of the empirically observed \emph{lost-in-the-middle} phenomenon: the token retrieval profile, as a function of the source position in the prompt, is $\mathsf{U}$-shaped, with primacy, recency, and a unique interior minimum under an explicit smallness condition.
Authors: Karim Abdel Sadek, Mark Bedaywi, Rhys Gould, Stuart Russell
Abstract: For AI systems to be useful to humans, they must understand and act in accordance with our values and preferences. Since specifying preferences is a hard task, inverse reinforcement learning (IRL) aims to develop methods that allow for inferring preferences from observed behavior. However, IRL assumes the human to be approximately optimal. This is a big limitation in cases where the human themselves may be learning to act optimally in an environment. In this paper, we formalize the problem of learning the preferences of a learning agent: a predictor observes a learner acting online and tries to infer the underlying reward function being (initially suboptimally) optimized by the learner. We model the learner as either being no-regret, or as converging to an optimal Boltzmann policy over time. In each of these settings, we establish theoretical guarantees for various preference learning algorithms, or otherwise show that such guarantees are impossible.
Authors: Sagar Bharadwaj, Ziyong Ma, Anurag Ghosh, Srinivasan Seshan, Anthony Rowe
Abstract: 3D scene understanding spans reasoning about free space, object grounding, hypothetical object insertions, complex geometric relationships, and integrating all of these with external tools and data sources. Existing 3D understanding methods typically rely on large-scale 3D-language training or focus on object grounding and simple spatial relationships. We argue that the broad generalization that motivates 3D-language training can be achieved at inference time, without 3D-specific training. We propose Flame3D, a training-free framework that represents scenes as editable visual-textual 3D memories and exposes them to an off-the-shelf MLLM through composable spatial tools. Flame3D also lets the agent synthesize custom spatial programs at inference time, enabling open-ended reasoning over layouts, empty space, and objects not yet present in the scene. External data and corrections can be added to the memory without retraining. In addition to showing competitive performance to finetuned 3D-LMM methods on ScanQA, we study multi-hop 3D reasoning capabilities of Flame3D by evaluating it on a curated compositional spatial-reasoning benchmark, Compose3D. We find that fixed tools fall short and that the agent's ability to synthesize spatial operations at inference time is essential. These results invite the question: should future progress in 3D scene understanding focus on richer scene memories and expressive compositional abstractions?
Authors: Ismail Hossain, Tanzim Ahad, Md Jahangir Alam, Sai Puppala, Syed Bahauddin Alam, Sajedul Talukder
Abstract: Jailbreak attacks -- adversarial prompts that bypass LLM alignment through purely linguistic manipulation -- pose a growing operational security threat, yet the field lacks large-scale, reproducible infrastructure for generating, categorizing, and evaluating them systematically. This paper addresses that gap with three contributions. (1) Large-scale compositional jailbreak dataset. We construct 114,000 adversarial prompts by applying 912 composing strategies to 125 harmful seed prompts from JailBreakV-28K. Every prompt is assigned to one of 14 cybersecurity attack categories (e.g., malware, phishing, privilege escalation) via a six-model majority-vote pipeline, and each strategy is ranked by effectiveness per category, enabling principled strategy selection grounded in concrete adversarial objectives. (2) Automated jailbreak generation. We instruction-fine-tune category-aware LLMs on Moderate and Optimal subsets, producing models that synthesize fluent jailbreak prompts from a harmful seed at inference time -- no templates, no gradient search. Our generators achieve perplexity 24-39 versus 40-140 for AutoDAN and AmpleGCG, with safety-filter evasion rates of 0.29-0.51 Mal (LlamaPromptGuard-2-86M), enabling controllable, scalable red-teaming under realistic adversarial conditions. (3) OPTIMUS: a training-free jailbreak evaluator. OPTIMUS is a continuous metric J(S,H) that jointly captures semantic similarity between the harmful seed and the jailbreak (S) and harmfulness probability (H) via calibrated penalty functions. Unlike binary attack success rate (ASR), OPTIMUS requires no task-specific training, generalizes across evolving strategies, and exposes a stealth-optimal regime (S*=0.57, H*=0.43) that ASR misses. Experiments across 114,000 prompts confirm that OPTIMUS separates Weak, Moderate, and Optimal jailbreaks with category-level evidence binary evaluation cannot supply.
Authors: John Cartmell, Alexander Williams
Abstract: The increasing deployment of Internet-of-Things (IoT) devices has accelerated the use of distributed learning frameworks, where data remains local while model updates are shared across decentralized systems. Although this reduces centralized data collection, it introduces privacy risks through the exchange of gradients, model parameters, and intermediate representations. A variety of privacy-preserving techniques have been proposed to address these risks, including differential privacy, cryptographic methods, and lightweight system-level approaches. However, existing surveys often evaluate these methods in isolation and lack a unified framework for comparing their effectiveness under realistic attack models and IoT resource constraints. This paper presents a structured analysis of privacy-preserving techniques for distributed learning in IoT environments. A unified threat model is introduced that captures model inversion, membership inference, gradient leakage, and communication-based attacks. Building on this model, an evaluation framework is developed to compare methods in terms of both privacy robustness and system-level efficiency, including computational, memory, and communication overhead. Using this framework, representative approaches including differential privacy, homomorphic encryption, secure multi-party computation, distributed selective stochastic gradient descent, and Bloom Filter-based methods are analyzed. The results highlight a fundamental trade-off between privacy strength and system efficiency. In particular, Bloom Filter-based encodings are shown to provide lightweight privacy through collision-induced ambiguity while maintaining low computational and communication overhead. The paper provides a unified perspective on privacy-preserving design choices for distributed learning in IoT systems.
Authors: Sohan Venkatesh
Abstract: Large language models fail at counting repeated tokens despite strong performance on broader reasoning benchmarks. These failures are commonly attributed to limitations in internal count tracking. We show this attribution is wrong. Linear probes on the residual stream decode the correct count with near-perfect accuracy at every post-embedding layer, across all model depths. This holds even at the exact layers where the wrong answer crystallizes while the model simultaneously outputs an incorrect count. Attention patterns show no evidence of collapse over repeated tokens and tokenization artifacts account for none of the failure. Instead, a format-triggered multi-layer perceptron (MLP) block overwrites the correctly-encoded count with a fixed wrong answer at roughly 88--93,% network depth. This prior fires for repeated word-tokens in space-separated list format and is absent for repeated digit-tokens. It is suppressed by comma-separated delimiters in larger models but persists in smaller ones. The finding holds across Llama-3.2 (1B and 3B) and Qwen2.5 (1.5B, 3B and 7B) at consistent relative depth. Counting failure is a failure of routing not of representation and the two require different interventions.
Authors: Boxuan Zhang, Jianing Zhu, Qifan Wang, Jiang Liu, Ruixiang Tang
Abstract: Recent generative models can produce images that appear highly realistic, raising challenges in distinguishing real and AI-generated images. Yet existing detectors based on pre-trained feature extractors tend to over-rely on global semantics, limiting sensitivity to the critical micro-defects. In this work, we propose Micro-Defects expose Macro-Fakes (MDMF), a local distribution-aware detection framework that amplifies micro-scale statistical irregularities into macro-level distributional discrepancies. To avoid localized forensic cues being diluted by plain aggregation, we introduce a learnable Patch Forensic Signature that projects semantic patch embeddings into a compact forensic latent space. We then use Maximum Mean Discrepancy (MMD) to quantify distributional discrepancies between generated and real images. Our theory-grounded analysis shows that patch-wise modeling yields provably larger discrepancies when localized forensic signals are present in generated images, enabling more reliable separation from real images. Extensive experiments demonstrate that MDMF consistently outperforms baseline detectors across multiple benchmarks, validating its general effectiveness. Project page: https://zbox1005.github.io/MDMF-project/
Authors: Ningxiao Tao, Baoquan Chen, Mengyu Chu
Abstract: Reconstructing 3D fluid velocity fields from sparse 2D video observations is a highly ill-posed inverse problem, demanding both transport consistency with observed motion and physical validity under fluid laws. Existing methods typically impose these constraints through soft penalties, often leading to compromised accuracy and convergence issues. We introduce a reconstruction framework that structurally enforces both constraints. Specifically, we parameterize the reconstructed velocity using a continuous Divergence-Free Kernel representation, driving the advection of a Lagrangian 3D Gaussian Splatting representation. This formulation intrinsically guarantees both flow incompressibility and long-range transport coherence by construction. To enable the efficient optimization of such a constrained system, we introduce a novel Sliding Window scheme that propagates gradients over meaningful temporal horizons while maintaining tractable training costs. Experiments on synthetic and real-world datasets demonstrate that our method outperforms state-of-the-art baselines in both transport consistency and physical accuracy, enabling applications such as high-quality re-simulation and flow analysis.
Authors: Wenqian Xu, Feng Ji
Abstract: Interactive assessments generate sequential process data that are not well handled by conventional item response models. Existing MDP-based measurement approaches, such as the Markov decision process measurement model (MDP-MM, LaMar, 2018), link action choices to state-action values, but their reliance on person-specific tabular value functions makes them difficult to scale beyond small, fully enumerated tasks. We propose the Reinforcement Learning Measurement Model (RLMM), a measurement framework that decouples person-level choice sensitivity from task-level value representation through a shared parametric action-value function, making estimation more computationally efficient for larger process-data settings. The model combines a Boltzmann choice rule with normalized advantages, a soft Bellman consistency penalty, and a block-coordinate MAP procedure for joint estimation, while also yielding step-level influence diagnostics for identifying behaviorally critical decisions. In peg-solitaire simulations, the RLMM achieved higher estimation accuracy and substantially lower runtime than the original MDP-MM, with advantages increasing as task complexity grew. In AQUALAB gameplay logs, the estimated person parameter was positively associated with cumulative reward, task completion, and behavioral efficiency. These results show that the RLMM extends decision-process-based psychometric models to larger and more behaviorally realistic environments while preserving an interpretable latent trait tied to decision making steps.
Authors: Guibin Zhang, Yaohui Ling, Fanci Meng, Kun Wang, Shuicheng Yan
Abstract: GUI agents are beginning to operate the web, mobile, and desktop as interactive worlds, where successful control depends on carrying forward visual, procedural, and task-level evidence beyond the fleeting present screen. Yet most agents still treat memory as an external, human-readable artifact: histories are summarized, categorized, retrieved, and reinserted as text or structured records before being encoded again by the policy. This creates a mismatch between the representational form in which experience is stored and the latent embedding sequence over which modern GUI policies actually act. We introduce Mem-W, a series of latent-memory-native GUI agents that treat memory as part of the agent's continuous context rather than as an auxiliary symbolic scaffold. Mem-W weaves both historical trajectories (as experiential memory) and in-session segments (as working memory) into compact memory tokens through a shared trajectory-to-latent compressor. These tokens are woven with the current GUI observation and local context into one continuous embedding sequence, allowing the agent to read successes, failures, and unfinished progress through the same machine-native interface. Mem-W is trained with self-distillation and outcome-aware supervision to preserve decision-relevant state while filtering memory toward evidence that truly supports task success. Across four web and mobile navigation benchmarks, Mem-W consistently improves diverse backbones and memory-enhanced baselines, with gains of up to $+30.0$, suggesting that latent-context-native memory can serve as a scalable foundation for long-horizon GUI agency.
Authors: Minh Quoc Duong, Chun Tong Lei, Chun Pong Lau
Abstract: With the proliferation of AI-generated images, digital watermarking has become an essential safeguard for protecting intellectual property and mitigating malicious exploitation. Recent works on semantic watermarking have enabled efficient copyright protection for diffusion models. However, the dependence of semantic watermarking on diffusion inversion for watermark detection creates a critical vulnerability. Imprint removal and forgery attacks exploit this weakness to produce deceptive results. Our analysis reveals that these attacks succeed by displacing watermarked latents into the unwatermarked region, while guiding unwatermarked latents into the watermarked region. Based on that, we propose Progressive Guided Inversion and Denoising (PGID), the first plug-and-play, training-free noise extraction framework designed to defend against both attack strategies. PGID effectively defends by projecting perturbed latents back to the region where they originally belong. The projection is achieved by eliminating intermediate latent deflections and mitigating adversarial perturbations through progressive inversion-denoising cycles. Comprehensive evaluations across multiple schemes demonstrate that PGID successfully restores detection reliability by recovering removed watermarks and identifying forged instances.
Authors: Avinash Kumar, Sujay Sanghavi, Poulami Das
Abstract: Speculative decoding accelerates LLM inference by using a fast draft model to generate tokens and a more accurate target model to verify them. Its performance depends on the $\textit{acceptance length}$, or number of draft tokens accepted by the target. Our studies show that the acceptance length of even state-of-the-art speculators, like DFlash, EAGLE-3 and PARD degrade with generation length, reaching values close to 1 (i.e. no speedup) within just a few thousand output tokens, making speculators ineffective for long-response tasks. Acceptance lengths decline because most speculators are trained offline on short sequences, but are forced to match the target model on much longer outputs at inference, well beyond their training distribution. To address this issue, we propose $\textit{Test-Time Speculation (TTS)}$, an online distillation approach that continuously adapts the speculator at test-time. TTS leverages the key insight that the token verification step already invokes the target model for each draft token, providing the training signal needed to adapt the draft at no additional cost. Treating the draft as the student and the target as a teacher, TTS adjusts the draft over several speculation rounds, with each update improving the draft's accuracy as generation proceeds. Our results across multiple models from the Qwen-3, Qwen-3.5, and Llama3.1 families show that TTS improves acceptance lengths over state-of-the-art speculators by up to $72\%$ and $41\%$ on average, with the benefits scaling with increased generation lengths.
Authors: Aneesh Calyam, Subrahmanya Chandra Bhamidipati, Zack Murry, Sharan Srinivas
Abstract: Autonomous drone fleets have immense potential in medical supply delivery during disaster incident response. However, coordinating multiple drones in such settings introduces compounding challenges: dynamic environmental hazards such as wind, obstacles, and intermittent network connectivity, constrained energy budgets, and the need to serve patient locations fairly under deadlines and triage-based priority while optimizing schedule utilization. In this paper, we present CEDA, a novel CTDE Deep Q-Network algorithm for cooperative multi-drone medical delivery, designed to jointly optimize triage-priority-aware routing, multi-agent coordination, and energy-efficient navigation under dynamic uncertainty. CEDA introduces a Priority-Preserving Fair Scheduling strategy, in which a structured reward function encodes both triage weights and complementary fairness mechanisms ensuring no patient class is starved of service. We evaluate CEDA in a simulated grid environment featuring dynamic hazard zones, stochastic action failures, and dynamically spawning patients across three triage priority levels, as well as in a PX4 SITL validation using two X500 quadrotors controlled via MAVSDK in offboard position mode. Simulation results demonstrate that CEDA achieves a delivery completion rate above 85%, reduces obstacle collisions by over 90% across training, and delivers an average of 6 patients per episode with a triage efficiency of 0.82. CEDA preserves clinical priority ordering, Critical patients are served first, while achieving near-zero mortality across lower-triage classes, confirming that priority-weighted routing does not condemn Stable or Urgent patients to neglect. PX4 SITL validation further demonstrates that the learned policy remains executable and triage-coherent under practical communication constraints and realistic multi-drone coordination in disaster response settings.
Authors: Shoju Enami, Kenji Kashima
Abstract: We consider a mutual information (MI) regularized version of optimal density control of a discrete-time linear system. MI optimal control has been proposed as an extension of maximum entropy optimal control to trade off between control performance and benefits provided by stochastic inputs. MI regularization induces stochasticity in the policy, which poses challenges for applications of MI optimal control in safety-critical scenarios. To remedy this situation, we impose Gaussian density constraints at specified times to directly control state uncertainty. For this MI optimal density control problem, we propose an alternating optimization algorithm and derive the closed form of each step in the algorithm. In addition, we reveal that the alternating optimization of the MI optimal density control problem coincides with that of the so-called generalized Schr\"{o}dinger bridge problem associated with the discrete-time linear system.
Authors: Junyu Lu, Shashwath Suresh, Hao Liu, Qi Hong, Qing Wang
Abstract: Running deep neural networks on microcontroller units (MCUs) is severely constrained by limited memory resources. While TinyML techniques reduce model size and computation, they often fail in practice due to excessive peak Random Access Memory (RAM) usage during inference, dominated by intermediate activations. As a result, many models remain infeasible on standalone MCUs. In this work, we present a fine-grained split inference system for networked MCUs that enables collaborative inference of Convolutional Neural Networks (CNN) models across multiple devices. Our key insight is that breaking the memory bottleneck requires splitting inference at sub-layer granularity rather than at layer boundaries. We reinterpret pre-trained models to enable kernel-wise and neuron-wise partitioning, and distribute both model parameters and intermediate activations across multiple MCUs. A lightweight, resource-aware coordinator orchestrates the inference across MCU devices with heterogeneous resources. We implement the proposed system on a real testbed and evaluate it on up to 8 MCUs using MobileNetV2, a representative CNN model. Our experimental results show that CNN models infeasible on a single MCU can be executed across networked MCUs, reducing the per-MCU peak RAM usage while maintaining the practical end-to-end inference latency. All the source code of this work can be found here: https://github.com/shashsuresh/split-inference-on-MCUs.
URLs: https://github.com/shashsuresh/split-inference-on-MCUs.
Authors: Dong Yang, Yiyi Cai, Haoyu Zhang, Yuki Saito, Hiroshi Saruwatari
Abstract: Metric-induced discrete flow matching (MI-DFM) exploits token-latent geometry for discrete generation, but its practical use is limited by two issues: heuristic schedulers requiring hyperparameter search, and finite-step path-tracking error from its first-order continuous-time Markov chain (CTMC) solver. We address both issues. First, we derive a kinetic-optimal scheduler for prescribed scalar-parameterized probability paths, and instantiate it for MI-DFM as a training-free numerical schedule that traverses the path at constant Fisher-Rao speed. Second, we introduce a finite-step moment correction that adjusts the jump probability while preserving the CTMC jump destination distribution. We validate the resulting method, GibbsTTS, on codec-based zero-shot text-to-speech (TTS). Under controlled comparisons with a unified architecture and large-scale dataset, GibbsTTS achieves the best objective naturalness and is preferred in subjective evaluations over masked discrete generative baselines. Additionally, in comparison with the evaluated state-of-the-art TTS systems, GibbsTTS shows strong speaker similarity, achieving the highest similarity on three of four test sets and ranking second on the fourth. Project page: https://ydqmkkx.github.io/GibbsTTSProject
Authors: Dier Tang (Department of Mathematics, The University of Hong Kong, Hong Kong, China), Guangyue Han (Department of Mathematics, The University of Hong Kong, Hong Kong, China)
Abstract: This paper relaxes the restrictive symmetry conditions adopted in [4], [5] and extends their universal feature selection framework to accommodate noisy observations as well as attribute structures that may exhibit directional preferences. We introduce the notion of weak spherical symmetry, quantified by second-moment distances, which allows controlled deviations from rotational invariance. Under this relaxed condition, we develop a universal feature selection framework based on the singular value decomposition of the canonical dependence matrix computed from noisy data. Our main result shows that the selected features achieve asymptotically optimal error exponents up to a residual term that depends on the symmetry deviation $\delta$ and the noise levels $\eta_1, \eta_2$. When $\delta, \eta_1, \eta_2$ are relatively small, our result recovers that of [5], thereby demonstrating that exact spherical symmetry is unnecessary. Overall, our findings highlight the robustness of the selection framework against second-moment deviations and observation noise, thereby broadening its applicability across diverse inference tasks and providing a theoretically grounded tool for universal feature selection in practical scenarios.
Authors: Prasenjit Karmakar, Karthik Reddy, Sandip Chakraborty
Abstract: Low-cost air quality sensors are becoming ubiquitous in our daily lives as public awareness of air pollution continues to grow, and people take measures to monitor and improve the air they breathe indoors. Besides the standard operation of these sensors, fluctuations in environmental parameters can be leveraged to understand human behavior and activities in indoor spaces. Unlike traditional audio-visual, Radio Frequency, and inertial sensors, air quality sensors are easily scalable to a household, are privacy-preserving, and more economical. Such distributed sensor networks must jointly make decisions to monitor indoor occupants for downstream smart home and healthcare applications. However, due to low processing power, memory, and energy, they often struggle to maintain distributed data consensus and identify activity-affected sensor groups for accurate on-device inference. In this paper, we propose PoHAR framework that implements: (i) a conflict-free replicated data primitive for data sharing, (ii) a hierarchical clustering for ESP32 to detect activity-affected sensor groups with a self-supervised distance metric, and (iii) a leader-based group inference with off-the-shelf ML classifiers, enabling the sensor network to collaboratively detect hyperlocal indoor activities. Our extensive experiments demonstrated on-device activity detection, achieving 97.41% accuracy for indoor activity and 99.68% for cooking activity, using off-the-shelf ML models with latency below 34 microseconds.
Authors: Devdan Dey, Sujoy Bhore, Avishek Ghosh
Abstract: We study the $\textit{single-index bandit}$ problem, where rewards depend on an unknown one-dimensional projection of high-dimensional contexts through an unknown reward function. This model extends linear and generalized linear bandits to a nonparametric setting, and is particularly relevant when the reward function is not known in advance. While optimal regret guarantees are known for monotone reward functions, the general non-monotone case remains poorly understood, with the best known bound being $\tilde{\mathcal{O}}(T^{3/4})$ (under standard boundedness and Lipschitz assumptions on the reward function [Kang et al., 2025]). We close this gap by establishing the optimal regret for general single-index bandits. We propose a simple two-phase algorithm, namely, Zoomed Single Index Bandit with Upper Confidence Bound ($\texttt{ZoomSIB-UCB}$), that first estimates the projection direction via a normalized Stein estimator, and then reduces the problem to a one-dimensional bandit using discretization and finally use UCB. This approach achieves a regret of $\tilde{\mathcal{O}}(T^{2/3})$, and improves significantly upon prior work without any additional assumptions. We also prove a matching minimax lower bound of $\tilde{\Omega}(T^{2/3})$, showing that the upper bound is essentially tight. Our upper and lower bounds together provide a sharp characterization of the regret in single-index bandits. Moreover, the empirical results further demonstrate the effectiveness and robustness of our approach.
Authors: L\'ena\"ic Chizat, Maria Colombo, Roberto Colombo, Xavier Fern\'andez-Real
Abstract: Stein Variational Gradient Descent (SVGD) is a deterministic interacting-particle method for sampling from a target probability measure given access to its score function. In the mean-field and continuous-time limit, it is known that the flow converges weakly toward the target, but no quantitative rate is known for the last iterate. In this paper, we establish quantitative local convergence in strong norms for this dynamics, when the interaction kernel is of Riesz type on the $d$-dimensional torus. Specifically, assuming that the initial density and the target are smooth and close in $L^2$-norm, we obtain explicit polynomial convergence rates in $L^2$-norm that depend on the dimension and on the regularity parameters of the kernel, the initialization and the target. We further show that these rates are sharp in certain regimes, and support the theory with numerical experiments. In the edge case of kernels with a Coulomb singularity, we recover the global exponential convergence result established in prior work. Our analysis is inspired by recent results on Wasserstein gradient flows of kernel mean discrepancies.
Authors: Pranava Madhyastha
Abstract: In this (work in progress) paper, we present Bounded Pragmatic Listener (or BPL), a cognitively grounded Bayesian framework for modelling susceptibility to information disorder. BPL extends Rational Speech Act theory with three cognitively motivated bounds derived from the bounded rationality literature with a) a recursion depth bound (that emphasises working memory limits);b) a prior compression parameter (which is oriented at capturing information bottleneck); and c) an availability sample size (that operationalises importance sampling with saliency-weighted proposals). This allows us to test predictions about misinformation susceptibility, annotator disagreement, and the differential vulnerability to mis-, dis-, and mal-information as defined in the Information Disorder framework. We validate BPL on the LIAR and MultiFC benchmarks showcasing competitive veracity classification and experimental support for the depth-mismatch paradox.
Authors: Aojie Yuan, Tianqi Shen, Dajun Zhang
Abstract: Reasoning LLMs produce thousands of chain-of-thought tokens whose KV cache must reside in scarce GPU HBM. The dominant response -- permanently evicting low-importance tokens -- is catastrophic for reasoning: accuracy collapses to 0-2.5% when half the cache is removed. We ask a different question: must every token live in HBM, or can some live elsewhere? We introduce a semantics-aware memory hierarchy that sorts tokens into four tiers -- HBM, DDR, compressed, and evicted -- using cumulative attention scoring. Low-importance tokens are moved to CPU memory rather than destroyed; before each attention step they are prefetched back at full precision, contributing exactly the same terms as if they had never left the GPU. We formalize this as zero-approximation-error offloading and derive our central finding: accuracy depends solely on how many tokens are permanently discarded (the eviction ratio), not on how many remain in HBM. A controlled 3x3 grid over HBM and eviction ratios confirms this across three model scales (7B-32B) and four benchmarks. With only 3% eviction, the hierarchy retains 91% of full-cache accuracy on GSM8K and 71% on MATH-500 (n=200); at 14B scale it matches the uncompressed baseline (90% vs. 86%) while halving HBM occupancy. A head-to-head reproduction of R-KV -- the current SOTA eviction method -- on our setup achieves only 0-32% at comparable budgets. A system prototype with real GPU-CPU data movement shows that the price of this preservation is modest -- 5-7% transfer overhead -- and scaling analysis projects 2-48 GB HBM savings at production batch sizes.
Authors: S. A. Shteingolts, Salman N. Salman, Dan Mendels
Abstract: Machine learning-based simulators offer the potential to model the dynamics of complex systems more efficiently than classical approaches, while retaining differentiability, a key property for materials design. Graph neural network (GNN)-based simulators have shown strong performance across a range of physical domains, including molecular dynamics. However, their reliance on temporal context for accurate prediction limits their use in inverse design settings, where simulations must be initialized from a single static configuration. Moreover, inverse design requires robust out-of-distribution (OOD) generalization, as candidate structures typically lie outside the training domain. Here, we address both challenges by introducing two complementary strategies that enable stable and accurate structure-only initialization of GNN-based simulations. To directly target OOD generalization, we propose an inference-time physics-based optimization framework that constrains model predictions to remain physically consistent during rollout. In addition, we introduce a differentiable, GNN-based barostat that enables accurate tracking of system dimensions and pressure, critical for capturing macroscopic responses and supporting OOD generalization. We evaluate these approaches in the context of uniaxial compression of disordered elastic networks spanning a broad range of geometries, Poisson ratios, and microscopic behaviors. We find that, together, these methods substantially improve rollout stability and enable reliable OOD generalization, including regimes with distinct, more complex dynamics than those in the training data. These results show that, when properly initialized and constrained, GNN-based simulators can serve as efficient and generalizable tools for materials discovery and structural optimization, advancing their use in materials, molecular, and dynamical system design.
Authors: Aojie Yuan, Zhiyuan Su
Abstract: Large language models represent the same reasoning in vastly different surface forms -- English prose, Python code, mathematical notation -- yet whether they share a common internal substrate across these symbolic systems remains unknown. We introduce the TriForm Benchmark (18 concepts x 6 forms x 3 instances = 324 stimuli) and study five LLMs (1.6B-8B) across three architecture families. Using permutation-corrected RSA, cross-form probing, and activation patching, we find converging evidence for a Format-Agnostic Reasoning Subspace (FARS) in middle layers. We make FARS concrete: concept-centroid PCA extracts a 10-dimensional subspace that amplifies concept structure 3x while suppressing form information to near zero. Replacing only these 10 dimensions during cross-form patching preserves 90-96% of model output -- far exceeding both full activation replacement (44-56%) and variance-maximizing PCA (60-74%) -- while ablating them causes targeted disruption. FARS generalizes to held-out concepts and converges across architectures (CCA > 0.79 for all model pairs), providing within-modality evidence for the Platonic Representation Hypothesis. We further discover a declarative-procedural asymmetry: representations are far more compatible between prose and mathematics than between either and code, suggesting that the critical axis of divergence is not linguistic vs. formal but declarative vs. procedural.
Authors: Aojie Yuan, Zhiyuan Julian Su, Haiyue Zhang, Yi Nian, Yue Zhao
Abstract: Chain-of-thought (CoT) prompting assumes that generated reasoning reflects a model's internal computation. We show this assumption is wrong in a specific, measurable way: models internally detect their own reasoning errors but outwardly express confidence in them. A linear probe on hidden states predicts trace correctness with 0.95 AUROC -- from the very first reasoning step (0.79) -- while verbalized confidence for wrong traces is 4.55/5, nearly identical to correct ones (4.87/5). A text-surface classifier achieves only 0.59 on the same data, confirming a 0.20-point gap invisible in the generated text. This hidden error awareness holds across three model families (Qwen, Llama, Phi), 1.5B-72B parameters, and RL-trained reasoning models (DeepSeek-R1, 0.852 AUROC). The natural question is whether this signal can fix the errors it detects. It cannot. Four interventions -- activation steering, probe-guided best-of-N, self-correction, and activation patching -- all fail; patching destroys output coherence entirely. The signal is diagnostic, not causal: a readout of computation quality, not a lever to redirect it. This delineates a boundary for mechanistic interpretability: error representations during reasoning are fundamentally different from the factual knowledge representations that prior work has successfully edited.
Authors: Michael A. Riegler, Inga Str\"umke
Abstract: We present swarm-attack, an open-source adversarial testing framework in which multiple lightweight LLM agents coordinate through shared memory, parallel exploration, and evolutionary optimization. Together, our results demonstrate that both safety bypass of frontier models and software vulnerability discovery, i.e., the capability class that motivated restricted release of Anthropic's Mythos Preview, are achievable at effectively zero cost using commodity hardware and openly available models. We report two experiments. In the first, five instances of a 1.2 billion parameter model conducted 225 jailbreak attacks each against GPT-4o and Claude Sonnet~4. Against GPT-4o, the swarm achieved an Effective Harm Rate of 45.8%, producing 49 critical-severity breaches; against Claude Sonnet-4, the Effective Harm Rate was 0% despite a 40% technical success rate. In the second experiment, the same models performed combined source code analysis and binary fuzzing against a vulnerable C application with 9 planted CWEs. With a hand-crafted exploit seed corpus, regex pattern detection, and AddressSanitizer-based crash classification, the pipeline recovers 9 of 9 vulnerabilities (100% recall) in approximately four minutes on a consumer MacBook. With those scaffold components disabled, the same model recovers 0 of 9 by crash verification and 2 of 9 by citation. The capability class that motivated restricted release of Anthropic's Mythos Preview is therefore reproducible at effectively zero cost; the important enabler is the system scaffold itself, which compensates for the limited reasoning capacity of small individual models.
Authors: Takeru Matsuda
Abstract: The problem of predicting unobserved entries in a binary matrix, known as 1-bit matrix completion, has found diverse applications in fields such as recommendation systems. In this study, we develop an empirical Bayes method for 1-bit matrix completion motivated by the Efron--Morris estimator, a matrix generalization of the James--Stein estimator that shrinks singular values toward zero. The proposed method exploits the underlying low-rank structure of binary matrices, drawing parallels with multidimensional item response theory. Simulation studies and real-data applications demonstrate that the proposed method achieves a superior balance of predictive accuracy, calibration reliability (uncertainty quantification), and computational efficiency compared to existing methods.
Authors: Elliot Paquette, Noah Marshall, Lucas Benigni, Guangyuan Wang, Atish Agarwala, Courtney Paquette
Abstract: Recently, Muon and related spectral optimizers have demonstrated strong empirical performance as scalable stochastic methods, often outperforming Adam. Yet their behaviour remains poorly understood. We analyze stochastic spectral optimizers, including Muon, on a high-dimensional matrix-valued least squares problem. We derive explicit deterministic dynamics that provide a tractable framework for studying learning behaviour with a focus on (stochastic) SignSVD, which Muon approximates, and (stochastic) SignSGD, the latter serving as a proxy for Adam. Our analysis shows that for large batch size, SignSVD performs a square-root preconditioning with respect to the data covariance spectrum, while for small batch size smaller eigenmodes behave like SGD, slowing down convergence. We contrast with SignSGD which for generic covariance performs no preconditioning and has no transition, leading to different optimal learning rates and convergence characteristics. The two methods match up to a constant factor with isotropic data, but behave differently with anisotropic data. An analysis of a power law covariance model with data exponent $\alpha$ and target exponent $\beta$ shows there are three phases in the $(\alpha,\beta)$ plane: one where SignSGD is uniformly favored, one where SignSVD is uniformly favored, and a third where the two methods exhibit a trade-off in performance.
Authors: Aishik Nagar, Arun-Kumar Kaliya-Perumal, Yu-Hsuan Han, Andrew Sheng-Han Huang, Kristen Kee, Yushi Cao, Yiming Chen, Hongchao Jiang
Abstract: Inpatient clinical reasoning is a sequential decision under partial observability: the clinician sees the admission so far and must choose the next action whose downstream consequences are not yet visible. Existing clinical-LLM evaluations and RL rewards signals collapse this into closed-form retrieval, clinical journey leakage, or unanchored LLM-as-judge scoring. We introduce CLR-voyance, a framework that reformulates inpatient reasoning as a Partially Observable Markov Decision Process (POMDP) and supervises it with rewards that are simultaneously outcome-grounded and clinician-validated. We instantiate the formulation as CLR-POMDP, which partitions successful patient journeys into a policy-visible past and an oracle-only future. Using the past information, an oracle LLM generates a case-specific query-answer pair, and the first adaptive rubric for clinical reasoning which is verifiable in the future of the patient journey. These rubrics are used for both post-training and evaluation of models for inpatient clinical reasoning. We post-train Qwen3-8B and MedGemma-4B with GRPO followed by model merging, yielding state-of-the-art inpatient clinical reasoning while retaining generalist capabilities. CLR-voyance-8B achieves 84.91% on CLR-POMDP, ahead of frontier medical reasoning models like GPT-5 (77.83%) and MedGemma-27B (66.66%) and has comparable or better performance on existing medical benchmarks. To ensure a clinically meaningful setting, we conduct a large-scale clinician alignment study, where physicians curate per-case rubrics, grade candidate responses, and provide blinded pairwise preferences of model reasoning. This study provides insights on clinical LLM-as-a-judge and clinical preference-model selection, which can inform the community at large. CLR-voyance has been deployed for 6+ months at a partner public hospital, drafting thousands of reasoning-heavy inpatient notes.
Authors: Tzeh Yuan Neoh, Nicholas Teh, Je Qin Chooi, Paul W. Goldberg, Milind Tambe
Abstract: Organizations increasingly deploy multiple AI systems across task domains, but selecting a small, high-performing ensemble can require costly model calls, benchmark runs, and human evaluation. We study this selection problem as a distributional variant of multiwinner voting: tasks are drawn from an unknown domain distribution, each task induces feedback over candidate experts, and a committee's value on a task is determined by its best-performing member. We analyze both binary feedback, for tasks with correct/incorrect outcomes, and pairwise feedback, for tasks where candidate outputs are compared by preference. In the binary setting, the induced objective is coverage. We give exhaustive-elicitation baselines and matching worst-case query lower bounds, and we design a failure-conditioned greedy algorithm that preserves the standard $(1-1/e)$ guarantee while obtaining instance-dependent query savings. In the pairwise setting, we study $\theta$-winning committees. We show that full-information optimization admits a PTAS but no EPTAS under Gap-ETH, and that the objective is monotone but not submodular. This motivates a weighted ordinal coverage relaxation, which is submodular and supports a failure-conditioned greedy oracle under pairwise feedback. We then convert this oracle back into $\theta$-type guarantees through finite-family auditing or a minimax wrapper. We also provide small-scale LLM experiments illustrating the predicted query savings and the role of complementarity in committee selection.
Authors: Abhinav Goel, Agostino Capponi, Alfio Gliozzo, Chaitya Shah
Abstract: We introduce SmartEval, a benchmark for systematically evaluating the quality of Solidity smart contracts generated by large language models (LLMs) from natural language specifications. SmartEval provides a corpus of 9,000 generated contracts paired with expert-written ground-truth implementations drawn from the FSMSCG dataset, a five-dimensional evaluation rubric covering functional completeness, variable fidelity, state-machine correctness, business-logic fidelity, and code quality, and a reproducible generation-and-evaluation pipeline. To validate the benchmark's reliability, we conduct three independent empirical studies: a five-condition ablation study (N=300 per condition) isolating the contribution of each pipeline component, a human expert evaluation by three Columbia University PhD researchers confirming automated scores align with expert judgment to within 0.34 points, and external security analysis via the Slither static analyzer confirming 79.4% agreement between the LLM auditor and a non-LLM rule-based tool. Systematic analysis of 9,000 generated contracts reveals characteristic failure modes (logic omissions at 35.3%, state transition errors at 23.4%, and complexity-driven degradation) and quantifies a +8.29 composite-score advantage of generated contracts over ground-truth implementations, attributable to LLMs' literal specification-following behavior. SmartEval establishes a reproducible, validated foundation for empirical research on LLM smart contract synthesis quality, with all data, evaluation code, and generated contracts publicly released.
Authors: Akuen Akoi Deng, Eimantas Butkus, Alfreds Lapkovskis, Praveen Kumar Donta
Abstract: In recent years, the use of artificial intelligence on resource-constrained IoT devices has grown significantly. However, existing approaches to DNN partitioning and offloading across the edge-cloud continuum typically rely on static methods that ignore runtime dynamics. Furthermore, they are often evaluated in simulated environments rather than on real hardware. To address this gap, we propose a framework that dynamically splits neural network layers across the heterogeneous continuum. The framework profiles the model at startup, measures network link conditions between nodes, and periodically re-evaluates the partition to adapt to environmental changes. We created a physical testbed comprising a Raspberry Pi edge device, a laptop fog, and a high-performance desktop PC as the cloud. We evaluated the framework over three widely adopted convolutional neural networks: VGG16, AlexNet, and MobileNetV2. Our results show that the framework achieves reductions in energy and end-to-end latency of 27.09--35.82% and 6.34--22.92%, respectively, compared to a static partitioning baseline. These findings confirm the superiority of adaptive to static partitioning.
Authors: Lin Zheng, Vasilisa Bashlovkina, Timothy Dozat, Dan Garrette, Laura Rimell, Joshua Maynez
Abstract: Tokenizer-free language models eliminate the tokenizer step of the language modeling pipeline by operating directly on bytes; patch-based variants further aggregate contiguous byte spans into patches for efficiency. However, the average patch size chosen at the model design stage governs a tight trade-off: larger patches reduce compute and KV-cache footprint, but degrade modeling quality. We trace this trade-off to patch lag: until a patch is fully observed, byte predictions within it must rely on a stale representation from the previous patch to preserve causality; this lag widens as patches grow larger. We introduce Scratchpad Patching (SP), which inserts transient scratchpads inside each patch to aggregate the bytes seen so far and refresh patch-level context for subsequent predictions. SP triggers scratchpads using next-byte prediction entropy, selectively allocating compute to information-dense regions and enabling post-hoc adjustment of inference-time compute. Across experiments on natural language and code, SP improves model quality at the same patch size; for example, even at $16$ bytes per patch, SP-augmented models match or closely approach the byte-level baseline on downstream evaluations while using a $16\times$ smaller KV cache over patches and $3$-$4\times$ less inference compute.
Authors: Meng Lou, Hanzhong Guo, Linwei Chen, Yizhou Yu
Abstract: Recent studies suggest that Reinforcement Fine-Tuning (RFT) is inherently more resilient to catastrophic forgetting than Supervised Fine-Tuning (SFT). However, whether RFT (e.g., GRPO) can effectively overcome forgetting in challenging visual continual learning settings, such as class-incremental learning (CIL) and domain-incremental learning (DIL), remains an open problem. Through a pilot study, we confirm that while RFT consistently outperforms SFT, it still suffers from non-negligible forgetting. We empirically trace this bottleneck to Trajectory-level Drift Agnosticism: among candidate rollouts achieving identical task rewards, the KL divergence from the preceding-task policy varies substantially, which strongly correlates with catastrophic forgetting across sequential tasks. Motivated by this insight, we propose Retention-aware Policy Optimization (RaPO), a simple yet effective RFT method that explicitly mitigates forgetting through trajectory-level reward shaping. Specifically, RaPO comprises two core components: (1) Retention Reward that converts trajectory-level distribution drift into a continuous reward signal, preferentially reinforcing knowledge-preserving rollouts within each group; (2) Cross-Task Advantage Normalization (CTAN), which maintains a persistent exponential moving average of reward statistics across task boundaries to stabilize the optimization progress during continual learning. Leveraging the free-form textual generalization of MLLMs, we comprehensively evaluate RaPO across five visual continual learning settings. Extensive experiments demonstrate that RaPO achieves leading performance, substantially reducing catastrophic forgetting while preserving strong plasticity. To the best of our knowledge, this work represents the first systematic exploration of RFT in visual continual learning, offering insights that we hope will inspire future research.
Authors: Elad Sarafian, Gal Kaplun, Ron Banner, Daniel Soudry, Boris Ginsburg
Abstract: Modern agents built on frontier language models often cannot adapt their weights. What, then, remains trainable? We argue it is the agent's \emph{workspace}, the structured external substrate it reads, writes, and tests; we call its evolution workspace optimization. Workspace optimization targets hard multi-turn environments where a frontier model has strong priors but cannot solve the task in a single shot, so the agent must learn through interaction. We propose a principled way to evolve the workspace, mirroring the structure of weight-space training: artifacts in place of parameters, evidence in place of data, counterexamples in place of losses, and textual feedback in place of gradients. We instantiate the idea in DreamTeam, a multi-agent harness for ARC-AGI-3 whose roles build an executable world model, plan, hypothesize, probe, strategize, and route failures. On the current 25-game ARC-AGI-3 public set under the official scoring protocol and averaged over two independent runs, DreamTeam improves the SOTA protocol-matched agent's score from 36% to 38.4%, while using 31% fewer environment actions per game.
Authors: Kevin H. Lam, Tyler Farghly, Christopher Williams, Jun Yang, Yee Whye Teh, Arnaud Doucet
Abstract: Sampling from score-based diffusion models incurs bias due to both time discretisation and the approximation of the score function. A common strategy for reducing this bias is to apply corrector steps based on the unadjusted Langevin algorithm (ULA) at each noise level within a predictor-corrector framework. However, ULA is itself a biased sampler, as it discretises a continuous diffusion process. In this work, we consider adjusted Langevin correctors that employ Metropolis--Hastings (MH) or Barker's accept-reject steps to correct for this bias. Since the target density ratio typically required by MH-based algorithms is unavailable, we propose methods that instead utilise the score function to compute the correct acceptance probability. We introduce the first exact method for adjusting Langevin corrections in diffusion models, based on a two-coin Bernoulli factory algorithm. We also propose an efficient approximation based on Simpson's rule that achieves accuracy of order $5/2$ in the step size at near-zero marginal cost. We demonstrate that these procedures improve sample quality on both synthetic and image datasets, yielding consistent gains in Fr\'echet Inception Distance (FID) on the latter.
Authors: Zahra Asadi, Haeseung Jeon, Sohyun Han, Md Mahmuduzzaman Kamol, Se Eun Oh, Mohammad Saidur Rahman
Abstract: As over 200 million new malware samples are identified each year, antivirus systems must continuously adapt to the evolving threat landscape. However, retraining solely on new samples leads to catastrophic forgetting and exploitable blind spots, while retraining on the entire dataset incurs substantial computational cost. We propose FreeMOCA, a memory- and compute-efficient continual learning framework for malicious code analysis that preserves prior knowledge via adaptive layer-wise interpolation between consecutive task updates, leveraging the fact that warm-started task optima are connected by low-loss paths in parameter space. We evaluate FreeMOCA in both class-incremental (Class-IL) and domain-incremental (Domain-IL) settings on large-scale Windows (EMBER) and Android (AZ) malware benchmarks. FreeMOCA achieves substantial gains in Class-IL, outperforming 11 baselines on both EMBER and AZ benchmarks. It also significantly reduces forgetting, achieving the best retention across baselines, and improving accuracy by up to 42% and 37% on EMBER and AZ, respectively. These results demonstrate that warm-started interpolation in parameter space provides a scalable and effective alternative to replay for continual malware detection. Code is available at: https://github.com/IQSeC-Lab/FreeMOCA.
Authors: Santhosh Kumar Ramakrishnan, Carl Vondrick, Raja Giryes, Philipp Kr\"ahenb\"uhl, Vladlen Koltun
Abstract: Yes. We find that large multimodal models develop mental imagery when solving spatial puzzles, and they do imagine sheep when solving sheep puzzles. We fine-tune a Qwen3.5 VLM to solve twelve diverse visual reasoning tasks -- including tangram, jigsaw, sokoban, 3D mental rotation, and rush hour -- that require understanding geometry, spatial relationships, and the consequences of actions. By supervising the model to predict the open-loop sequence of actions to solve a puzzle from an initial state, we show that the model's activations after each action encode meaningful visual information about the intermediate state. This finding suggests that an imperfect visual world model begins to form as a byproduct of learning to select correct actions, in the absence of any explicit visual supervision. Building on this observation, we propose two ways to sharpen and use the mental images formed by the model. We find that integrating as few as sixteen visual tokens per step into the chain of thought improves the average solve rate from 83% to 89%, with particularly strong gains on reasoning-heavy tasks such as jigsaw and 3D mental rotation.
Authors: Radhika Amar Desai, Modigari Narendra
Abstract: In many real-world computer vision applications, including medical imaging and industrial inspection, binary classification tasks are characterized by a severe scarcity of positive samples. A widely adopted solution is to generate synthetic positive data using image-to-image transformations applied to negative samples. However, a fundamental challenge remains: how can we reliably assess whether such synthetic data will improve downstream model performance? In this work, we propose a geometry-driven metric that predicts the utility of synthetic data without requiring model training. Our approach operates in the embedding space of a pre-trained foundation model and represents the dataset through difference vectors between samples. We evaluate whether the weight vector of a linear classifier can be expressed within the subspace spanned by these variations by measuring the relative projection error. Intuitively, if the variations induced by synthetic data capture task-relevant directions, their span can approximate the classifier, resulting in low projection error. Conversely, poor synthetic data fails to span these directions, leading to higher error. Across multiple datasets and architectures, we show that this metric exhibits strong correlation with downstream classification performance of CNNs trained on mixtures of real negative and synthetic positive data. These findings suggest that the proposed metric serves as a practical and informative tool for evaluating synthetic data quality in data-scarce settings.
Authors: Yukang Shen
Abstract: Modern computer vision systems increasingly encounter performance limitations in data-scarce domains, where collecting large-scale, high-quality labeled data is costly or impractical. While controllable diffusion models enable scalable synthetic image generation, directly applying synthetic augmentation often leads to unstable performance gains due to dataset-level quality issues and insufficient feedback mechanisms. In this work, we present a Real-Calibrated Synthetic-First Data Engine, a modular data engineering framework that combines controllable diffusion generation and multi-stage curation/filtering within a unified pipeline, with optional support for uncertainty-driven selection and human verification. Instead of introducing new generative algorithms, our approach focuses on systematic dataset construction for improving the practical reliability of synthetic augmentation in low-data regimes. The framework is implemented as a modular CLI-based pipeline, where generation, filtering, selection, and validation components can be independently configured and replaced. This design emphasizes reproducibility, flexibility, and practical deployment in real-world data workflows. Through empirical evaluation centered on human pose estimation, we show that synthetic data improves a real-data baseline when used as near-zero-human-annotation-cost augmentation alongside real anchors, while synthetic-only training remains substantially below real-only performance. Supplementary segmentation diagnostics show the same domain-gap pattern. These results highlight the practical value of data-centric orchestration for low-data augmentation.
Authors: Anan Saha, Arnab Ganguly
Abstract: Many systems in physics, engineering, and biology exhibit multiscale stochastic dynamics, where low-dimensional slow variables evolve under the influence of high-dimensional fast processes. In practice, observations are often limited to a single trajectory of the slow component, while the fast dynamics remain unobserved, making statistical learning challenging. Approaches based on partial differential equations (PDE), such as Fokker-Planck formulations, aim to characterize the evolution of probability densities, typically requiring dense space-time data or grid-based solvers. In contrast, we adopt a trajectory-based perspective and develop a data-driven framework for learning effective stochastic dynamics from a single observed path. We model the dynamics by coupled multiscale stochastic differential equations (SDEs) and first obtain a principled model reduction through stochastic averaging. Unlike generic model reduction techniques such as PCA, this respects the dynamical structure of the original system and explicitly incorporates the interaction between slow and fast scales. A central challenge, however, is that the reduced model depends on the invariant distribution of the fast process, which is a solution to an intractable and often unknown PDE. We introduce a novel learning framework that parameterizes the invariant distribution using normalizing flows, enabling expressive density modeling in the latent fast-variable space. The flow is trained end-to-end by optimizing a penalized likelihood objective induced by the reduced stochastic dynamics. Furthermore, we develop a Bayesian variational inference procedure for uncertainty quantification, employing a second normalizing flow to approximate the posterior distribution over model parameters. This yields a scalable approach to capturing epistemic uncertainty in multiscale systems.
Authors: Hanzaleh Akbari Nodehi, Parsa Moradi, Mohammad Ali Maddah-Ali
Abstract: Classical coding-theoretic guarantees often rely on trust assumptions, such as requiring sufficiently many honest nodes compared with adversarial ones. These assumptions are difficult to enforce in open decentralized systems where participants are not centrally certified. At the same time, such environments often contain incentive mechanisms: participants may be rewarded only when their submitted data are accepted and the system remains functional. This changes the role of an adversary. Rather than acting as a pure saboteur, a strategic adversary may submit data that are consistent enough to be accepted while still degrading the quality of the final estimate. The game-of-coding framework models this strategic interaction between a data collector (DC) and an adversary. Existing works on the game of coding mostly consider the complete-information case, where the DC knows how the adversary trades off acceptance and estimation error. In this paper, we study an incomplete-information version of the game of coding in which the DC, acting as a Stackelberg leader, does not know the adversary's utility trade-off and must learn through repeated interaction. Prior work on the unknown-adversary setting considered an explore-then-commit objective, where only the final selected acceptance rule is evaluated. In contrast, we study the full learning trajectory: every acceptance rule used during the algorithm is executed and contributes to performance. We propose an algorithm that refines its search around promising acceptance rules, prove that it achieves sublinear cumulative regret, and evaluate its performance through numerical experiments.
Authors: Shabarish Chenakkod, Micha{\l} Derezi\'nski
Abstract: The power method is one of the most fundamental tools for extracting top principal components from data through low-rank matrix approximation. Yet, when the target rank is large, the cost of matrix multiplication associated with this procedure becomes a major bottleneck. We develop an algorithmic and theoretical framework for accelerating the power method using fast sketching, which is a popular paradigm in randomized linear algebra. Our framework leads to simple and provably efficient methods for singular value decomposition, low-rank factorization, and Nystr\"om approximation, which attain strong numerical performance on benchmark problems. The key novelty in our analysis is the use of regularized spectral approximation, a property of fast sketching methods which proves more flexible in generalizing power method guarantees than traditional arguments.
Authors: Dongxin Guo, Jikun Wu, Siu Ming Yiu
Abstract: Gradient-based preference optimization methods for large language model (LLM) alignment suffer from preference collapse, converging to narrow behavioral modes while neglecting preference diversity. We introduce EvoPref, a multi-objective evolutionary algorithm that maintains populations of Low-Rank Adaptation (LoRA) adapters optimized across helpfulness, harmlessness, and honesty objectives using Non-dominated Sorting Genetic Algorithm II (NSGA-II) selection with archive-based diversity preservation. Our primary contribution is demonstrating that population-based methods discover substantially more diverse alignments than gradient descent. On standard benchmarks, EvoPref improves preference coverage by 18% (median 82.5% vs. 70.0% for ORPO, $p<0.001$, Wilcoxon, $n=30$) and reduces collapse rates by 47% (11.0% vs. 20.6%, $p<0.001$), while achieving competitive alignment quality (median 75.5% RewardBench vs. 75.0% for ORPO, $p<0.05$). We provide theoretical motivation extending recent multi-objective evolutionary algorithm (MOEA) runtime analysis (Dang et al., 2025) suggesting why archive-based methods escape collapse more effectively than single-trajectory optimization. Comprehensive comparisons against MOEA/D, SMS-EMOA, CMA-ES, and gradient baselines (DPO, IPO, KTO, ORPO) with rigorous statistical testing (Friedman with Holm correction, Vargha-Delaney effect sizes, median with IQR) confirm that multi-objective selection with diversity preservation is essential. This work establishes evolutionary optimization as a principled paradigm for diverse LLM alignment.
Authors: Dongxin Guo, Jikun Wu, Siu Ming Yiu
Abstract: Large Language Models exhibit mode collapse, producing homogeneous outputs that fail to explore valid solution spaces. We present QD-LLM, a framework for parameter-efficient neuroevolution that evolves prompt embeddings, compact neural interfaces (~32K parameters) that steer generation in frozen LLMs (70B+ parameters), within a Quality-Diversity (QD) optimization framework. Our contributions: (1) evolved prompt embeddings via gradient-free optimization enabling behavioral steering without model fine-tuning; (2) hybrid behavior characterization combining semantic and explicit features with formal coverage bounds (Theorem 1) under validated near-independence (NMI $= 0.08 \pm 0.02$); (3) co-evolutionary variation operators including targeted behavioral mutation via finite-difference gradient estimation. On HumanEval (164 problems), MBPP, and creative writing benchmarks, QD-LLM achieves 46.4% higher coverage and 41.4% higher QD-Score than QDAIF ($p<0.001$, 30 runs, Vargha-Delaney $A=0.94$). We demonstrate downstream utility: diverse archives improve test generation (34% more edge cases) and fine-tuning data quality (8.3% accuracy gain). We validate across open-source LLMs (Llama-3-70B, Mistral-Large) with full embedding access, establishing prompt embedding evolution as an effective paradigm bridging neuroevolution and modern LLMs.
Authors: Yong Fu
Abstract: Detecting orbital anomalies, such as maneuvers, atmospheric decay, and attitude upsets, across the rapidly growing population of low-Earth-orbit (LEO) satellites is a prerequisite for collision avoidance, decay forecasting, and conjunction screening. The bottleneck is not modeling capacity but labels: there is no public ground-truth corpus of orbital anomalies, manual review does not scale to approximately 10^4 active satellites, and pure rule-based detectors trade recall for precision so aggressively that they are blind to most behavioral anomalies. We present a multi-tier labeling cascade that composes three weak supervision sources of increasing fidelity: a fast physics rule set (rule_v1), an Interacting Multiple Model Unscented Kalman Filter (IMM-UKF) bank, and a supplemental-element calibration step (supGP), to produce labels at a scale unavailable from any single source. Applied to 232M Two-Line Element (TLE) records spanning 60 years, the cascade yields 8.6M labeled sequences of length 50 (430M timesteps) over 11 features that include explicit time encoding and full mean-element state. On overlapping satellites, IMM-UKF surfaces 42.6x more anomalies than rule_v1 alone. We train a 6.5M-parameter Transformer in two stages, achieving a maneuver recall of 55.4% and decay recall of 62.8% on a held-out test set. An ablation on the time-delta feature alone yields a 107% relative improvement in decay recall. We frame the resulting model as a high-recall triage classifier whose role is to surface candidate events for downstream filtering, not to issue final attributions, and discuss the path toward a Neural-ODE-based orbital world model.
Authors: Zhipeng Liu, Chunbo Luo
Abstract: Vision-language models (VLMs) enable text-guided object detection but degrade severely under cross-view scenarios where ground and aerial viewpoints differ in altitude, scale, and spatial layout. These geometric changes introduce systematic complexity variations between viewpoints, e.g., ground view images contain dense and highly occluded structures, while aerial images are sparse and globally organized. Fixed VLM fusion mechanisms cannot handle this discrepancy. We propose CrossVL, a framework combining Complexity-Aware Pathway Aggregation (CPA) and Paired Curriculum Learning (PCL) for enhanced cross-view detection for VLM. CPA estimates scene complexity from multimodal statistics and routes visual features through multiple pathways to obtain view-specific representations. PCL leverages semantic consistency of synchronized ground-aerial pairs to provide stable early supervision and then gradually shifts toward randomized sampling. On MAVREC, CrossVL improves Florence-2's aerial mAP from 58.66% to 61.03% and reduces the ground-aerial performance gap from 8.63pp to 6.65pp, while also achieving a 3.3x reduction in variance across random seeds. CPA provides stable complexity-aware feature aggregation, and PCL enhances optimization dynamics. Together, they demonstrate that coordinated architectural and training adaptations are crucial for robust cross-view VLM detection.
Authors: Hanqun Cao, Aastha Pal, Sophia Tang, Yinuo Zhang, Jingjie Zhang, Pheng Ann Heng, Pranam Chatterjee
Abstract: Protein function is often controlled by ligands that bias the direction of state transitions, such as agonists and antagonists, rather than stabilizing a single conformation. This is especially important for clinically relevant G protein-coupled receptors (GPCRs), where therapeutic efficacy depends on functional directionality. Structure-based design methods optimize binding to static conformations and cannot represent non-reversible, directional effects or systematically distinguish agonist from antagonist behavior. To address this gap, we introduce Transition-Directed Discrete Diffusion for Allosteric Binder Design (TD3B), a sequence-based generative framework that designs binders with specified agonist or antagonist behavior via a directional transition control objective. TD3B combines a target-aware Direction Oracle, a soft binding-affinity gate, and amortized fine-tuning of a pre-trained discrete diffusion model, enabling targeted agonist and antagonist generation decoupled from binding affinity and unattainable by equilibrium-based or inference-only guidance baselines. The code and checkpoints are available at https://huggingface.co/ChatterjeeLab/TD3B.
Authors: Su Wang, Mung Chiang, H. Vincent Poor
Abstract: We investigate the control and optimization of vertical federated learning (VFL), a class of distributed machine learning (ML) methods in which edge/fog devices contain separate data features, in dynamic edge/fog networks. Owing to heterogeneous data features and hardware across edge/fog networks, devices' contributions to VFL vary substantially, and, moreover, dynamic edge/fog networks can lead to the permanent exit or entry of select data features. In this setting, our proposed methodology, server controlled VFL in dynamic networks (SC-DN), first establishes the existence of a global first-order stationary point for every global round, and then leverages this result to jointly optimize ML model training and resource consumption based on four key control variables: (i) server placement, (ii) device-to-server transmit power, (iii) local device processor frequency, and (iv) local training iterations per global round. The resulting optimization formulation contains coupled variables as well as numerous forms of logarithmic constraints which we show is a mixed-integer signomial program, an NP-hard problem, and for which we develop a general solver. Finally, via experiments on both image and multi-modal datasets, we show that our methodology demonstrates superior classification/regression performance and resource consumption savings than even greedy methodologies.
Authors: Nam Nguyen, Hassan Tavakoli, An Vuong, Thinh Nguyen, Bella Bose
Abstract: This paper studies cross-domain lossy compression through the lens of minimum entropy coupling (MEC) with rate and classification constraints. In this setting, an encoder observes samples from a degraded source domain, while the decoder is required to generate outputs following a prescribed target distribution and to preserve information relevant to a downstream classification task. Motivated by logarithmic-loss distortion, we adopt an information-based objective that maximizes the coupling strength between the source and reconstruction, rather than minimizing a sample-wise distortion. Under common randomness, we formulate a rate-constrained MEC problem (MEC-B) and show that the intermediate representation can be removed without loss of optimality, yielding an equivalent deterministic coupling formulation. For Bernoulli sources, closed-form expressions are derived with and without classification constraints. In addition, we implement a neural restoration framework using quantization, entropy modeling, distribution matching, and classification regularization. Experiments on MNIST super-resolution and SVHN denoising show that increasing the available rate improves classification accuracy and yields more informative reconstructions.
Authors: Jongwoo Choi, Sean O'Hagan
Abstract: Modern predictive systems encode beliefs that can act as useful prior information for statistical inference in data-limited settings. Using them for prior construction introduces a tradeoff: an informative prior built from a predictive model can sharpen inference from limited data, but also risks propagating error from the model into the posterior. We propose a framework for AI-informed prior elicitation that mitigates this tension by rectifying the AI-induced law that generates synthetic data before using it to inform a prior. The rectified law can be embedded into synthetic data-driven prior elicitation techniques, including as a base measure in a Dirichlet process (DP) prior on the data-generating process. We refer to the resulting prior and corresponding posterior as the rectified AI prior and rectified AI posterior. We establish Gaussian asymptotics for the rectified AI posterior under non-vanishing prior strength and derive a first-order expression for its centering bias. Our rectified AI priors substantially reduce bias compared to standard approaches, improve the coverage of credible intervals, and make AI-powered prior information more reliable. We additionally apply the rectified AI prior to a real skin disease classification task and show that it can meaningfully boost predictive performance.
Authors: Douglas K. Faust, Peter Awad, Alexandre Vaz, Tony Rousmaniere
Abstract: Sentiment analysis has been of long-standing interest in psychotherapy research. Recently, the Transformer deep learning architecture has produced text-based sentiment analysis models that are highly accurate and context-aware. These models have been explored as proxies for emotion measurement instruments in psychotherapy, but not investigated as stand-alone psychometric tools. Using proposed utterance-level and session-level sentiment features derived from a fine-grained sentiment model on a large corpus of psychotherapy sessions (N = 751), we investigate the distribution of session aggregated sentiment scores. Further, we characterize the relationship of these features to individual components and the overall score of the OQ-45 instrument and find that this sentiment feature is most strongly correlated to components related to emotional valence in directionally intuitive ways. Finally, we report that there are statistically significant differences between the sentiment distributions for patients flagged as at risk of deterioration or dropping out of care via either the OQ Rational or Empirical outcome models. These correlations to a fully-validated psychometric instrument demonstrate that these proposed sentiment features are, at least, adjunctive measures of client distress and deterioration.
Authors: Rafael C. T. Oliveira
Abstract: The Metacognitive Probe is an exploratory five-task, 15-slot diagnostic that decomposes an LLM's confidence behaviour into five behaviourally-distinct dimensions: confidence calibration (T1-CC), epistemic vigilance (T2-EV), knowledge boundary (T3-KB), calibration range (T4-CR), and reasoning-chain validation (T5-RCV). It is evaluated on N=8 frontier models and N=69 humans. The instrument is motivated by Flavell (1979) and Nelson and Narens (1990) but operates on observable confidence-correctness alignment; it is not a validated cross-species metacognition scale, and the pre-specified human developmental hypothesis was falsified. Composite benchmarks (MMLU, BIG-Bench, HELM, GPQA) ask whether a model produces a correct response. They are silent on whether the model knows when its response is wrong. A model can score 80 on a composite calibration benchmark and still be wildly overconfident in narrow pockets the aggregate cannot surface. The Metacognitive Probe surfaces those pockets. Our headline is a 47-point within-model dissociation in Gemini 2.5 Flash: panel-best within-task calibration (T1-CC = 88; Spearman rho = +0.551, 95% CI [+0.14, +0.80], p = 0.005) and panel-worst cross-task difficulty prediction (T4-CR = 41; sigma_conf = 1.4 across twelve factoids).
Authors: Gideon Popoola, John Sheppard
Abstract: Machine learning algorithms are being used in high-stakes decisions, including those in criminal justice, healthcare, credit, and employment. The research community has responded with two largely independent research fields: \emph{algorithmic fairness}, which targets equitable outcomes, and \emph{explainable AI} (XAI), which targets interpretable reasoning. This survey identifies and maps a novel blind spot at their intersection, which is a model that can satisfy every standard fairness criterion in its outputs while being profoundly unfair in its \emph{reasoning process}. We refer to this as the procedural bias, and mitigating it requires treating the fairness of explanations as a distinct object of scientific study. To our knowledge, we provide the first unified theoretical and literature review of this emerging field and elucidate the drawbacks of post-hoc explainers in certifying explanation fairness. Our central contribution is a \emph{conditional invariance framework} formalizing explanation fairness as the requirement that explanations should be indifferent regardless of the protected attributes $ P(E(X) \in \cdot \mid X_\text{rel} = x_\text{rel},\, A = a) = P(E(X) \in \cdot \mid X_\text{rel} = x_\text{rel},\, A = b)$ for all task-relevant $x$, a single principle from which all existing explanation fairness metrics emerge as partial operationalizations. We introduce a seven-dimensional taxonomy, identify three generative mechanisms of explanation inequity (representation-driven, explanation-model mismatch, actionability-driven), and propose a canonical six-step evaluation workflow for operationalizing explanation fairness audits in practice.
Authors: Futoshi Futami, Takashi Ishida
Abstract: Multicalibration requires predicted scores to agree with label probabilities across rich families of subgroups and score-dependent tests, but existing methods require clean input-label pairs for evaluation and post-processing. This assumption fails in weakly supervised learning (WSL) regimes -- including positive-unlabeled, unlabeled-unlabeled, and positive-confidence learning -- where clean labels are costly or unavailable even though reliable uncertainty estimates may be crucial. We address this gap by developing estimators of multicalibration error and post-hoc correction methods for WSL settings in which clean input-label pairs are unavailable. We propose a unified framework for estimating and correcting multicalibration under weak supervision by combining contamination-matrix risk rewrites with witness-based calibration constraints, yielding corrected multicalibration moments with finite-sample guarantees. We further propose weak-label multicalibration boost (WLMC), a generic post-hoc recalibration algorithm under weak supervision. Finally, we conduct experiments across multiple weak-supervision settings to evaluate multicalibration behavior and offer empirical insight into uncertainty estimation under weak supervision.
Authors: Chunxiao Wang
Abstract: Production LLM coding agents drift over long sessions: they forget user-specified constraints, slip into mistakes the user already flagged, and confabulate prior agreements. White-box approaches such as persona vectors require model weights and so cannot be applied to closed APIs (Claude, GPT-4) that most users actually interact with. We present Nautilus Compass, a black-box persona drift detector and agent memory layer for production coding agents. The method operates entirely at the prompt-text layer: cosine similarity between user prompts and behavioral anchor texts, aggregated by a weighted top-k mean using BGE-m3 embeddings. Compass is, to our knowledge, the only public agent memory layer (among Mem0, Letta, Cognee, Zep, MemOS, smrti verified May 2026) that does not call an LLM at index time to extract facts or build a graph; raw conversation text is embedded directly. The system ships as a Claude Code plugin, an MCP 2024-11-05 A2A server (Cursor, Cline, Hermes), a CLI, and a REST API on one daemon, with a Merkle-chained audit log for tamper-evident anchor updates. On a held-out test set built from real Claude Code session traces and labeled by an independent LLM judge, Compass reaches ROC AUC 0.83 for drift detection. The embedded retrieval pipeline scores 56.6% on LongMemEval-S v0.8 and 44.4% on EverMemBench-Dynamic (n=500), topping the four published EverMemBench Table 4 baselines. LongMemEval-S 56.6% is ~30 points below recent white-box leaders (90+%); we treat that as the architectural ceiling of the no-extraction design. End-to-end reproduction cost is $3.50 (~14x cheaper than GPT-4o-judged stacks). A paired cross-vendor behavior A/B accompanies these numbers as preliminary system-level evidence. Code, anchors, frozen test data, and audit-log tooling are MIT-licensed at github.com/chunxiaoxx/nautilus-compass.
Authors: Kevin Zhu, William Tang, Raphael Hay Tene, Zesheng Liu, Nhut Le, Maryam Rahnemoonfar
Abstract: Rapid and accurate damage assessment following natural disasters is critical for effective emergency response. However, identifying fine-grained damage levels (e.g., distinguishing minor from major roof damage) in UAV imagery remains challenging due to the degradation of texture cues during resizing and extreme class imbalance. We propose DA-SegFormer, a damage-aware adaptation of the SegFormer architecture optimized for high-resolution disaster imagery. Our method introduces a Class-Aware Sampling strategy to guarantee exposure to rare damage features, and it integrates Online Hard Example Mining (OHEM) with Dice Loss to dynamically focus on underrepresented classes. In addition, we employ a resolution-preserving inference protocol that maintains native texture details. Evaluated on the RescueNet dataset, DA-SegFormer achieves 74.61\% mIoU, outperforming the baseline by 2.55\%. Notably, our improvements yield double-digit gains in critical damage classes: Minor Damage (+11.7%) and Major Damage (+21.3%).
Authors: Saurabh Rai, Sanmay Ganguly
Abstract: Mechanistic interpretability seeks to reverse engineer a trained neural network by identifying the minimal subset of internal components. We perform a mechanistic interpretability analysis of the Particle Transformer architecture, trained on the Top Quark Tagging reference dataset, with the goal of identifying the computational circuit responsible for jet classification and characterizing the physical content of its internal representations. Combining zero ablation, path patching with two complementary on-manifold corruption strategies and linear probing of the residual stream, we identify a sparse six-head circuit that recovers the great majority of the full model performance while admitting a clean source-relay-readout interpretation. In this circuit, a single early layer head serves as the primary causal source, a cluster of middle-layer heads acts as relays selectively attending to hard pairwise substructure and a single late-layer head reads out the aggregated signal. Linear probes show that the residual stream is preferentially aligned with the energy correlator basis over the $N$-subjettiness basis. Within the energy correlator basis, the model preferentially encodes 2-prong substructure observables over the 3-prong observables. A per-layer trained probe further reveals that the apparent single step commitment of the model to a classification decision in the first class attention block is in fact a basis rotation, with the discriminating signal already saturating in the particle attention stack. These results demonstrate that mechanistic interpretability methods developed for natural language models can be used for jet physics classifiers and indicate that gradient descent may rediscover physically meaningful aspects of jet tagging without supervision.
Authors: Mohammad Partohaghighi, Roummel Marcia
Abstract: Differentially private stochastic gradient descent (DP-SGD) is a standard approach to privacy-preserving learning based on per-example clipping, subsampling, Gaussian perturbation, and privacy accounting. Classical DP-SGD releases a noisy version of the current clipped subsampled gradient sum. We propose Fractional-Order Differentially Private Stochastic Gradient Descent (\textbf{FO-DP-SGD}), a mechanism-level extension that replaces this current-only query, before Gaussian noise is added, with a fractional recursive query combining the current clipped sum with a finite-window, power-law-weighted aggregation of previously released private sum-level outputs. This injects fractional memory into the release mechanism while preserving the standard \emph{sum-then-noise-then-divide} structure. Under add/remove adjacency with Poisson subsampling, the current-step sensitivity analysis shows that the only newly data-dependent term is the scaled current clipped sum. Hence, conditioned on the private history, the effective \(\ell_2\)-sensitivity is at most \(\beta C\), where \(C\) is the clipping threshold and \(\beta\in(0,1]\) controls the current-step contribution. Thus, FO-DP-SGD admits standard per-step R\'enyi differential privacy accounting via a Poisson-subsampled Gaussian mechanism with effective noise-to-sensitivity ratio \(\sigma/\beta\), and composes to yield overall \((\varepsilon,\delta)\)-differential privacy guarantees. FO-DP-SGD provides a framework for studying long-memory effects in private optimization. The fractional order, memory window, and mixing coefficient govern the trade-off among current-step sensitivity, signal retention, and private-history influence. Experiments on SVHN, CIFAR-10, and CIFAR-100 show improved test accuracy and privacy--utility performance over DP-SGD and private baselines including DP-Adam, DP-IS, SA-DP-SGD, ADP-AdamW, DP-SAT, and DP-Adam-AC.
Authors: Edivaldo Lopes dos Santos, Leandro Vicente Mauri, Washington Mio, Tom Needham
Abstract: We introduce the observable Wasserstein distance, a framework for deriving lower bounds on the Wasserstein distance between probability measures on Polish metric spaces, designed to bypass the computational intractability of exact optimal transport in large-scale, non-Euclidean datasets. Analogous to the sliced Wasserstein distance in $\mathbb{R}^d$, our approach projects measures onto the real line via 1-Lipschitz observables and computes the Wasserstein distances between the resulting pushforward distributions. We define a hierarchy of pseudo-metrics by restricting observables to a nested chain of subspaces. A central theoretical contribution is an injectivity result linking the metric covering dimension of the support of a measure to the specific order in the hierarchy that guarantees unique recovery. This serves as a metric-space analogue to the Cram\'{e}r-Wold Device for Euclidean distributions. We demonstrate that this hierarchy offers a tunable trade-off between sharpness as a lower bound on the Wasserstein distance and computational efficiency. We also present a discrete computational model for finite grids and numerical experiments validating the efficacy and utility of these approximations.
Authors: Yiwei Ou, Chung Ching Cheung, Jun Yang Ang, Xiaobin Ren, Ronggui Sun, Guansong Gao, Kaiqi Zhao, Manfredo Manfredini
Abstract: We present Urban-ImageNet, a large-scale multi-modal dataset and evaluation benchmark for urban space perception from user-generated social media imagery. The corpus contains over 2 Million public social media images and paired textual posts collected from Weibo across 61 urban sites in 24 Chinese cities across 2019-2025, with controlled benchmark subsets at 1K, 10K, and 100K scale and a full 2M corpus for large-scale training and evaluation. Urban-ImageNet is organized by HUSIC, a Hierarchical Urban Space Image Classification framework that defines a 10-class taxonomy grounded in urban theory. The taxonomy is designed to distinguish activated and non-activated public spaces, exterior and interior urban environments, accommodation spaces, consumption content, portraits, and non-spatial social-media content. Rather than treating urban imagery as generic scene data, Urban-ImageNet evaluates whether machine perception models can capture spatial, social, and functional distinctions that are central to urban studies. The benchmark supports three tasks within one standardized library: (T1) urban scene semantic classification, (T2) cross-modal image-text retrieval, and (T3) instance segmentation. Our experiments evaluate representative vision, vision-language, and segmentation models, revealing strong performance on supervised scene classification but more challenging behavior in cross-modal retrieval and instance-level urban object segmentation. A multi-scale study further examines how model performance changes as balanced training data increases from 1K, 10K to 100K images. Urban-ImageNet provides a unified, theory-grounded, multi-city benchmark for evaluating how AI systems perceive and interpret contemporary urban spaces across modalities, scales, and task formulations. Dataset and benchmark are available at: huggingface.co/datasets/Yiwei-Ou/Urban-ImageNet and github.com/yiasun/dataset-2.
Authors: Isao Kurosawa
Abstract: Travel-time tomography forces a trade-off between mesh resolution and stability in which the regularizer choice dominates what can be recovered. We introduce MIMIR, a differentiable framework that represents the 2D velocity field as a Fourier-feature neural network, replacing the grid-based slowness vector with a continuous, infinitely differentiable function. Prior neural-field tomography has staircased smooth fields under total-variation (TV) priors or oscillated near interfaces under $L^2$ Laplacian smoothing. We adopt second-order total generalized variation (TGV$^2$) and parametrize its auxiliary vector field as a second neural network jointly optimized with the velocity field, eliminating the inner Chambolle-Pock primal-dual loop that classically dominates TGV computation. On three synthetic benchmarks (Gaussian, horizontally layered, curved-fault inspired by OpenFWI) using cross-well acquisition, 5% travel-time noise, and five seeds, MIMIR-TGV$^2$ ties a classical FMM-LSMR baseline with auto-tuned hyperparameters on the Gaussian ($p=0.134$, paired $t$-test) and significantly outperforms it on layered ($p<0.0001$, 44% RMSE reduction) and curved-fault ($p=0.0002$, 33% reduction). Replacing TGV$^2$ with TV degrades performance on Gaussian ($p=0.004$) and layered ($p=0.003$); curriculum-annealed TV improves Gaussian RMSE by only 5.4%, confirming that TV's staircase bias is intrinsic to the regularizer rather than a scheduling artifact. The results empirically validate the Bredies-Kunisch-Pock prediction that piecewise-affine priors are better suited to subsurface velocity recovery than piecewise-constant TV priors. We argue that the central design choice in physics-informed neural-field inversion is not the network architecture but the regularizer. The full pipeline reproduces in under one hour on consumer hardware.
Authors: Sunwoo Park, Taesung Kwon, Jong Chul Ye
Abstract: Recent 4D generation methods complete scene-level missing information using generative models and reconstruct the scene into radiance-based representations. However, these pipelines often present geometric inconsistencies in the generated content, and the radiance-based reconstruction requires expensive optimization. Furthermore, radiance-based representations often absorb these geometric inconsistencies into their view-dependent nature, failing to enforce the grounded geometric consistency. To address these issues, we propose Geometric 4D Stitching, an efficient framework that explicitly identifies missing geometric regions and complements them with geometrically grounded 4D stitches. As a result, our method constructs 4D scene representations in under 10 minutes on a single NVIDIA RTX 5090 GPU per one-step scene expansion, while improving geometric consistency. Moreover, we demonstrate that our explicit 4D stitching supports interative expansion of 4D mesh as well as 4D scene editing.
Authors: Leonardo Hernandez Cano, Ivan Zareski, Luisa El Amouri, Pinzhe Zhao, Max Mascini, Emanuele Sansone, Yewen Pu, Bonan Zhao, Marta Kryven
Abstract: A core challenge in program synthesis is online library learning: the incremental acquisition of reusable abstractions under uncertainty about future task demands. Existing algorithms treat library learning as retrospective compression over a static task distribution, where the learned library is determined by the corpus of past tasks. However, real-world learning domains are often non-stationary, with tasks arising from a generative process that evolves over time. We propose and test the hypothesis that in non-stationary domains human library learning selects abstractions prospectively: targeting compression of future tasks. We study this question using the Pattern Builder Task, a visual program synthesis paradigm in which participants construct increasingly complex geometric patterns from a small set of primitives, transformations, and custom helpers that carry forward across trials. Using this task, we conduct two experiments with complementary latent curricula, designed to dissociate between behaviors consistent with prospective compression, and alternative library learning accounts. Using six computational models spanning online library learning strategies, we show that human abstraction behavior reflects sensitivity to latent, non-stationary structure in the task-generating process. This behavior is consistent with prospective compression, and cannot be captured by existing retrospective compression-based algorithms, or inductive biases modeled by LLM-based program synthesis.
Authors: Prasanjit Dubey, Xiaoming Huo
Abstract: Training a language model on data scattered across bandwidth-limited nodes that cannot be centralized is a setting that arises in clinical networks, enterprise knowledge bases, and scientific consortia. We study the regime in which data must remain distributed across nodes, and ask what statistical guarantees are in principle achievable under explicit bandwidth budgets; we aim to characterize what is provably possible, not to demonstrate a deployment-ready system. Existing theory treats either training-time consistency or inference-time calibration in isolation, and none makes bandwidth a first-class statistical parameter. We analyze two protocols, Federated Probe-Logit Distillation (FPLD) for training and Federated Conformal RAG (FC-RAG) for inference, as the analytical vehicles for our results. Our first main result is an explicit high-probability KL-consistency rate for FPLD with simultaneous dependence on node count $K$, per-node sample size $n$, quantization budget $B$, probe-set size $m$, and vocabulary size $V$; bandwidth enters only through an exponentially vanishing quantization term. Our second main result is a distribution-free marginal-coverage bound for FC-RAG, whose novel retrieval-bandwidth slack $\Delta_{\mathrm{RAG}} = f_{\max}\sqrt{K^{-2}\sum_i v(B_i)}$ makes per-node retrieval bandwidth a first-class statistical parameter, with arithmetic aggregation across $K$ nodes shrinking the slack as $K^{-1/2}$ in the per-node-uniform regime. A Pinsker-type corollary composes the two bounds into an end-to-end coverage guarantee. Synthetic experiments verify the predicted scaling along the bounds' parameters; small-scale experiments on a GPT-2 testbed illustrate that the qualitative bandwidth-accuracy tradeoff survives on a real language model. A deployment-scale empirical evaluation is out of scope.
Authors: Fangzhao Zhang, Sungyoon Kim, Erica Zhang, Yiqi Jiang, Mert Pilanci
Abstract: Mode connectivity has been widely studied, yet the role of the optimizer remains underexplored. We revisit it through optimizer-induced implicit regularization, asking how connectivity behaves when restricted to solutions constrained by a given optimizer. For two-layer ReLU networks, we show that solutions from a single optimizer -- AdamW, Muon, or others in the Lion-$\mathcal{K}$ family -- form a connected set at sufficiently large width, a result not implied by prior work. We then characterize how optimizer-induced regions interact: at large width two different regions can be disjoint or overlap depending on regularization, while in our small-width example AdamW and Muon converge to disconnected zero-loss components separated by a provable loss barrier. Empirically, in GPT-2 pretraining, we observe same-optimizer paths preserve each model's spectrum while cross-optimizer paths traverse a smooth transition. Our results reveal optimizer-dependent structure beyond classical mode connectivity literature.
Authors: Ting Sun, Junjie Zhang, Xiao Yan, Songxin Zhang, Zhuoyang Song, Jingyi Xi, Zunyao Mao, Bingyi Jing, Jiaxing Zhang, Zejian Xie
Abstract: Modern Large Foundation Model (LFM) training has transformed the data pipeline from a static ingestion layer into a dynamic component that must co-evolve with the training process. Existing systems are ill-equipped: colocated dataloaders offer no failure isolation, while message queue-based disaggregated dataloaders operate on a record/offset abstraction that cannot express the batch-level semantics required by distributed training. We present Lakestream, a brokerless, object-store-native training data plane with three key properties. First, it introduces the Transactional Global Batch (TGB), which builds on lakehouse-style ACID storage semantics and extends them with training-specific consistency, including atomic all-rank batch visibility, a globally ordered step sequence, checkpoint-aligned lifecycle management, and end-to-end exactly-once recovery. Second, it realizes recovery and retention directly in the storage layer, by inlining producer state in the manifest and tying reclamation to distributed checkpoint state. Third, its Decentralized Adaptive Commit (DAC) algorithm sustains stable ingestion throughput as the manifest grows, without any inter-producer communication. Evaluations on large-scale multimodal pre-training and SFT workloads using 64 GPUs show that Lakestream outperforms colocated dataloader throughput while providing full failure isolation, outperforms Apache Kafka in ingestion throughput, and achieves lower consumer read latency than Kafka.
Authors: Shokichi Takakura, Seng Pei Liew, Satoshi Hasegawa
Abstract: In this paper, we study the problem of sampling from a distribution under the constraint of differential privacy (DP). Prior works measure the utility of DP sampling with density ratio-based measures such as KL divergence. However, such formulations suffer from two key limitations: 1) they fail to capture the geometric structure of the support, and 2) they are not applicable when the supports of the distributions differ. To deal with these issues, we develop a novel framework for DP sampling with Wasserstein distance as the utility measure. In this formulation, we propose Wasserstein Projection Mechanism (WPM), a minimax optimal mechanism based on Wasserstein projection. Furthermore, we develop efficient algorithms for computing the proposed mechanisms approximately and provide convergence guarantees.
Authors: Yufeng Zhu, Chunlei Shi, Yongchao Feng, Dan Niu
Abstract: Precipitation nowcasting aims to forecast short-term radar echo sequences for extreme weather warning, where both prediction fidelity and inference efficiency are critical for real-world deployment. However, diffusion-based models, despite their strong generative capability, suffer from slow inference due to multi-step sampling trajectories, limiting their practical usability. Conditional Flow Matching (CFM) improves efficiency via straightened trajectories, but relies on latent space compression, which inevitably discards high-frequency physical details and degrades fine-grained prediction quality. To address these limitations, we propose PixelFlowCast, a two-stage probabilistic forecasting framework that achieves both high-efficiency and high-fidelity prediction without latent compression. Specifically, in the first stage, a deterministic model first produces coarse forecasts to capture global evolution trends. In the subsequent stage, the proposed KANCondNet extracts deep spatiotemporal evolution features to provide accurate conditional guidance. Based on this, a latent-free, few-step Pixel Mean Flows (PMF) predictor employs an $x$-prediction mechanism to generate high-quality predictions, effectively preserving fine-grained structures while maintaining fast inference. Experiments on the publicly available SEVIR dataset demonstrate that PixelFlowCast outperforms existing mainstream methods in both prediction accuracy and inference efficiency, particularly for long sequence forecasting, highlighting its strong potential for real-world operational deployment.
Authors: Alexander Denker, Johannes Hertrich, Sebastian Neumayer
Abstract: Generative (diffusion) priors demonstrate remarkable performance in addressing inverse problems in imaging. Yet, for scientific and medical imaging, it is crucial that reconstruction techniques remain stable and reliable under imperfect settings. Typical definitions of stability encompass the notion of ''convergent regularization'', robustness to out-of-distribution data, and to inaccuracies in the forward operator or noise model. We evaluate these properties numerically. Furthermore, we benchmark generative approaches against modern optimization-based methods inspired by the widely used variational techniques. Our results give insights for which settings and applications generative priors can deliver state-of-the-art reconstructions, and on those in which they fall short or may even be problematic.
Authors: Alejandro Luebs, Mithilesh Vaidya, Ishaan Kumar, Sumukh Badam, Stephen W. Bailey, Matthew Bendel, Jose Sotelo, Xingzhe He
Abstract: The performance of audio latent diffusion models is primarily governed by generator expressivity and the modelability of the underlying latent space. While recent research has focused primarily on the former, as well as improving the reconstruction fidelity of audio codecs, we demonstrate that latent modelability can be significantly improved through explicit factor disentanglement. We present PoDAR (Power-Disentangled Audio Representation), a framework that utilizes a randomized power augmentation and latent consistency objective to decouple signal power from invariant semantic content. This factorization makes the latent space easier to model, which both accelerates the convergence of downstream generative models and improves final overall performance. When applied to a Stable Audio 1.0 VAE with an F5-TTS generator, PoDAR achieves about a $2\times$ acceleration in convergence to match baseline performance, while increasing final speaker similarity by 0.055 and UTMOS by 0.22 on the LibriSpeech-PC dataset. Furthermore, isolating power into dedicated channels enables the application of CFG exclusively to power-invariant content, effectively extending the stable guidance regime to higher scales.
Authors: Ihor Stepanov, Oleksandr Lukashov, Mykhailo Shtopko, Vivek Kalyanarangan
Abstract: Joint named entity recognition (NER) and relation extraction (RE) is a fundamental task in natural language processing for constructing knowledge graphs from unstructured text. While recent approaches treat NER and RE as separate tasks requiring distinct models, we introduce GLiNER-Relex, a unified architecture that extends the GLiNER framework to perform both entity recognition and relation extraction in a single model. Our approach leverages a shared bidirectional transformer encoder to jointly represent text, entity type labels, and relation type labels, enabling zero-shot extraction of arbitrary entity and relation types specified at inference time. GLiNER-Relex constructs entity pair representations from recognized spans and scores them against relation type embeddings using a dedicated relation scoring module. We evaluate our model on four standard relation extraction benchmarks: CoNLL04, DocRED, FewRel, and CrossRE, and demonstrate competitive performance against both specialized relation extraction models and large language models, while maintaining the computational efficiency characteristic of the GLiNER family. The model is released as an open-source Python package with a simple inference API that allows users to specify arbitrary entity and relation type labels at inference time and obtain both entities and relation triplets in a single call. All models and code are publicly available.
Authors: Canhong Yu, Changliang Zhou, Rongsheng Chen, Zhenkun Wang, Yu Zhou
Abstract: Heavy-Encoder-Light-Decoder (HELD) neural routing solvers have emerged as a promising paradigm due to their broad applicability across multiple vehicle routing problems (VRPs). However, they typically struggle with VRP variants with complex constraints. To address this limitation, this paper systematically revisits existing neural solvers from the perspective of the generation mechanism for state embeddings (i.e., query vector prior to compatibility calculation) during decoding. We identify that current mechanisms restrict the observation space during attention computation, introducing a key bottleneck to achieving high-quality solutions. Through detailed empirical analysis, we demonstrate the necessity of preserving a global observation space. To overcome the constraint-agnostic drawback inherent to global observation spaces, we propose a simple yet powerful Constraint-Aware Residual Modulation (CARM) module. By adaptively modulating the context embedding with constraint-relevant variables, CARM effectively enhances constraint awareness, enabling the neural solver to fully leverage the global observation space and generate an efficient state embedding. Extensive experimental results across two single-task and five multi-task neural routing solvers confirm that the CARM module consistently boosts baseline performance. Notably, solvers equipped with our CARM achieve substantial improvements in scaling to large-scale instances and in generalizing to unseen VRP variants. These findings provide valuable insights for the architectural design of neural routing solvers.
Authors: Zengzipeng Tang, Yuxuan Sun, Wei Chen, Jianwen Ding, Bo Ai
Abstract: The recent growth of on-device Large Language Model (LLM) inference has driven significant interest in device-edge collaborative LLM inference. As a promising architecture, Speculative Decoding (SD) is increasingly adopted where a lightweight draft model rapidly generates candidate tokens to be verified by a powerful target model. However, a fundamental challenge lies in achieving per-token resource scheduling to effectively adapt SD paradigm to resource-constrained edge environment. This paper proposes a Generative Entropy- and Lyapunov-based Adaptive Token Offloading framework, named GELATO, to maximize decoding throughput under energy constraints in a device-edge collaborative SD system. Specifically, an outer drift-plus-penalty loop makes online decisions to establish a reference drafting budget, managing long-term energy-throughput trade-off. Further, a nested entropy-driven generation mechanism executes early exiting to adapt to per-token dynamic generative uncertainty. Theoretical analysis establishes a rigorous performance bound on long-term throughput for GELATO. Extensive evaluations demonstrate that GELATO achieves a globally optimal tradeoff, outperforming state-of-the-art distributed SD architectures by 64.98% in token throughput and reducing energy consumption by 47.47% under resource-constrained environments, while preserving LLM decoding quality.
Authors: Yan Shuo Tan, Kenyon Ng, Ruizhe Deng, Sumetha Loganathan, Qiong Zhang, Bibhas Chakraborty
Abstract: Thompson sampling is a widely used strategy for contextual bandits: at each round, it samples a reward function from a Bayesian posterior and acts greedily under that sample. Prior-data fitted networks (PFNs), such as TabPFN v2+ and TabICL v2, are attractive candidates for this purpose because they approximate Bayesian posterior predictive distributions in a single forward pass. However, PFNs predict noisy future rewards, while Thompson sampling requires uncertainty over the latent mean reward function. We propose PFN-TS, a Thompson sampling algorithm that converts PFN posterior predictives into mean-reward samples using a subsampled predictive central limit theorem. The method estimates posterior variance from a geometric grid of $O(\log n)$ dataset prefixes rather than the full $O(n)$ predictive sequence used in previous predictive-sequence approaches, and reuses TabICL's cached representations across rounds. We prove consistency of the subsampled variance estimator and give a Bayesian regret bound that decomposes PFN-TS regret into exact posterior-sampling regret under the PFN prior plus approximation terms. Empirically, PFN-TS achieves the best average rank across nonlinear synthetic and OpenML classification-to-bandit benchmarks, remains competitive on linear and BART-generated rewards, and attains the highest estimated policy value in an offline mobile-health evaluation. Code is available at https://anonymous.4open.science/r/PFN_TS-36ED/.
Authors: Piotr Kawa, Kornel Howil, Piotr Borycki, Mi{\l}osz Adamczyk, Przemys{\l}aw Spurek, Piotr Syga
Abstract: Explainable AI (XAI) has achieved remarkable success in image classification, yet the audio domain lacks equally mature solutions. Current methods apply vision-based attribution techniques to spectrograms, overlooking fundamental differences between visual and acoustic signals. While prototype reasoning is promising, acoustic similarity remains multidimensional. We introduce APEX (Audio Prototype EXplanations), a post-hoc framework for interpreting pre-trained audio classifiers. Crucially, APEX requires no fine-tuning of the original backbone and strictly preserves output invariance. APEX disentangles explanations into four perspectives: Square-based prototypes to localize transient events, Time-based for temporal patterns, Frequency-based highlighting spectral bands, and Time-Frequency-based integrating both. This yields intuitive, example-based explanations that respect acoustic properties, providing greater semantic clarity than standard gradient-based methods.
Authors: Francisco Madaleno, Francisco C Pereira, Alex Markham
Abstract: Recent work on causal abstraction, in particular graphical approaches focusing on causal structure between clusters of variables, aims to summarize a high-dimensional causal structure in terms of a low-dimensional one. Existing methods for learning such summaries from data assume that both the high- and low-dimensional structures are acyclic, which is helpful for causal effect identification and reasoning but excludes many high-dimensional models and thus limits applicability. We show that in the linear non-Gaussian (LiNG) setting, the high-dimensional acyclicity assumption can be relaxed while still allowing recovery of a low-dimensional causal directed acyclic graph (DAG). We further connect identifiability of this low-dimensional DAG to existing results: LiNG models with cycles are observationally identifiable only up to an equivalence class whose members differ by reversals of directed cycles; our low-dimensional DAG, which is invariant across all members of a given equivalence class, thus forms a natural representative of the class. While existing approaches for learning this observational equivalence class over high-dimensional variables have exponential time complexity, our low-dimensional summary is learned in worst-case cubic time and comes with explicit bounds on the sample complexity. We provide open source code and experiments on synthetic data to corroborate our theoretical results.
Authors: Qianqian Shi, Yue Che, Faqiang Liu, Hongyi Li, Mingkun Xu, Sandra Reinert, Pieter M. Goltstein, Rong Zhao, Luping Shi
Abstract: Adaptive behavior requires the brain to transition between distinct contexts while maintaining representations of prior experience. The ability to reconfigure neural representations without erasing previously acquired knowledge is central to learning in dynamic environments, yet the neural mechanisms that support this balance remain unclear. Understanding these mechanisms is also critical for addressing catastrophic forgetting in artificial systems designed for lifelong learning. Here, we identify joint sparse coding and temporal dynamics in both the mouse medial prefrontal cortex (mPFC) and computational networks as mechanisms that help preserve prior representations during context transitions. Specifically, sparsity in context-dependent representations reduces cross-context interference, whereas temporal dynamics within the network activity further enhance context separability across time. Strikingly, networks endowed with both properties, such as spiking neural networks, exhibit improved retention during lifelong learning without auxiliary heuristics. These findings establish joint sparse coding and temporal dynamics as a core mechanism supporting flexible context reconfiguration in lifelong learning and, through their activity constraining nature, as an energy-efficient architectural principle for stable adaptation. Together, they provide a mechanistic framework for understanding how the brain preserves prior knowledge while flexibly adapting to new contexts.
Authors: Jiaxuan Wang, Xuan Ouyang, Zhiyu Chen, Yulan Hu, Zheng Pan, Xin Li, Lan-Zhe Guo
Abstract: On-policy self-distillation (self-OPD) densifies reinforcement learning with verifiable rewards (RLVR) by letting a policy teach itself under privileged context. We find that when this guidance spans the full response, all-token KL spends gradients on mostly redundant positions and amplifies privileged-information leakage, causing entropy rise, shortened reasoning, and out-of-distribution degradation in long-horizon math training. We propose Token-Routed Alignment for Critical rEasoning (TRACE), which distills only on annotator-marked critical spans: forward KL on key spans of correct rollouts, optional reverse KL on localized error spans, and GRPO on all remaining tokens, with the KL channel annealed away after a short warm-up. Our analysis explains TRACE through two effects: forward KL provides non-vanishing lift to teacher-supported tokens that the student under-allocates, while span masking and decay keep cumulative privileged-gradient exposure finite. On four held-out math benchmarks plus GPQA-Diamond, TRACE improves over GRPO by 2.76 percentage points on average and preserves the Qwen3-8B base OOD score on GPQA-Diamond, where GRPO and all-token self-OPD baselines degrade. Gains persist under online self-annotation (+1.90 percentage points, about 69% of the strong-API gain), reducing the concern that TRACE merely imports external annotator capability. Across scales, the best routed action is base-dependent: on Qwen3-8B it is forward KL on key spans, while on Qwen3-1.7B it shifts to reverse KL on error spans.
Authors: Shu Tamano, Masaaki Imaizumi
Abstract: Distributional causal inference requires estimating not only average treatment effects but also interventional outcome distributions, including quantiles, tail risks, and policy-dependent uncertainty. As a method for distributional causal inference, generative adversarial network (GAN)-based counterfactual methods are flexible tools for this task. However, these methods have several limitations. First, the objectives of certain techniques do not coincide with the statistical risk of the identifiable causal target, and therefore provide limited theoretical guarantees regarding estimable counterfactual distributions or optimality. Second, they tend to rely on unstable density-based methods, such as density ratio estimation. In this paper, we propose GANICE (GAN for Interventional Conditional Estimation) with several advantages: it (i) clarifies the conditional interventional distribution for each treatment--covariate state as the causal estimation target; (ii) estimates the conditional distribution such that its averaged Wasserstein risk is minimized; (iii) establishes minimax optimality. GANICE achieves these advantages through the introduction of the extended Wasserstein distance, the incorporation of a cellwise critic in its dual, and an optimality proof based on Besov space theory. Our experiments demonstrate that GANICE consistently outperforms existing methods.
Authors: Yuhan Ye
Abstract: We study the parameterized complexity of testing approximate first-order stationarity at a prescribed point for continuous piecewise-affine (PA) functions, a basic task in nonsmooth optimization. PA functions form a canonical model for nonsmooth stationarity testing and capture the local polyhedral geometry that appears in ReLU-type training losses. Recent work by Tian and So (SODA 2025) shows that testing approximate stationarity notions for PA functions is computationally intractable in the worst case, and identifies fixed-dimensional tractability as an open direction. We address this direction from the viewpoint of parameterized complexity, with the ambient dimension $d$ as the parameter. In this paper, we give XP algorithms in fixed dimension for the tractable sides, and prove W[1]-hardness for the complementary sides. Moreover, lower bounds under the Exponential Time Hypothesis rule out algorithms running in time $\rho(d)\size^{o(d)}$ for any computable function $\rho$, where $\size$ denotes the total binary encoding length of the stationarity-testing instance. As a further consequence, our results yield the corresponding parameterized complexity picture for testing local minimality of continuous PA functions. We further extend our hardness results to a family of shallow ReLU CNN training losses, with stationarity tested in the trainable weight space. Thus, the same parameterized-complexity picture also appears for simple CNN training losses.
Authors: Zhipeng Zhang
Abstract: The formation timescale of the Milky Way thick disk is one of the central debates in Galactic archaeology. The age-metallicity relation (AMR), formation timescale, and chemical evolution gradients are frequently used to infer a rapid assembly, short-timescale enrichment, and bursty formation history of the thick disk. However, stellar ages are not directly observable, introducing the potential risk that inferred ages may harbor a systematic compression tied to observational quality. In this paper, we use the same stellar sample and identical physical covariate matching conditions, but two independent age scales--spectroscopic inferred ages (astroNN) and asteroseismic ages (APOKASC-3)--to compare the observable signatures of the thick-disk formation history. We find that several key observables previously supporting a rapid thick-disk formation are systematically weakened under seismic anchoring: the AMR slope flattens from -3.29 to -1.86 Gyr dex-1 (Delta a = +1.43), the formation timescale widens from 3.04 to 3.55 Gyr, and the peak formation age shifts from 9.1 to 6.0 Gyr. Through transport inversion experiments, we further show that additive noise can only broaden the age distribution and cannot reproduce the above pattern, whereas a compressive transport map (lambda < 1) simultaneously reproduces a narrower age distribution, a steeper AMR, and rapid-formation-like observables. This result indicates that the compression transformation itself is sufficient to generate rapid-formation-friendly observables without requiring an intrinsically bursty formation history. Our findings reveal that statistical interpretations of the Milky Way formation history may depend sensitively on the stellar age definition itself.
Authors: Yuteng Zhang, Huifang Ma, Jiahui Wei, Qingqing Li, Yafei Yang
Abstract: Software vulnerability detection is critical for ensuring software security and reliability. Despite recent advances in deep learning, real-world vulnerability datasets suffer from two severe challenges: frequency imbalance and difficulty imbalance. We reinterpret these challenges from an embedding geometry perspective, observing that such imbalances induce geometric distortions in hyperspherical representation space. To address this issue, we propose MARGIN, a metric-based framework that learns discriminative vulnerability representations through adaptive margin metric learning and hyperspherical prototype modeling. MARGIN dynamically adjusts geometric regularization according to the distribution structure estimated by the von Mises-Fisher concentration, aligning the probability mass of embedding distributions with their corresponding Voronoi cells, thereby reducing geometric distortion and yielding more stable decision boundaries. Extensive experiments on public vulnerability datasets show that MARGIN consistently outperforms strong baselines, achieving notable improvements in classification and detection, especially on challenging, imbalanced datasets. Further analysis demonstrates that MARGIN produces more structured embedding geometries, improving robustness, interpretability, and generalization.
Authors: Jeongwoo Yoon, On-yu Park, Changhoe Hwang, Gwanghoon Yoo, Eric Laporte, Jeesun Nam
Abstract: Natural language understanding (NLU) is integral to task-oriented dialog systems, but demands a considerable amount of annotated training data to increase the coverage of diverse utterances. In this study, we report the construction of a linguistic resource named FIAD (Financial Annotated Dataset) and its use to generate a Korean annotated training data for NLU in the banking customer service (CS) domain. By an empirical examination of a corpus of banking app reviews, we identified three linguistic patterns occurring in Korean request utterances: TOPIC (ENTITY, FEATURE), EVENT, and DISCOURSE MARKER. We represented them in LGGs (Local Grammar Graphs) to generate annotated data covering diverse intents and entities. To assess the practicality of the resource, we evaluate the performances of DIET-only (Intent: 0.91 /Topic [entity+feature]: 0.83), DIET+ HANBERT (I:0.94/T:0.85), DIET+ KoBERT (I:0.94/T:0.86), and DIET+ KorBERT (I:0.95/T:0.84) models trained on FIAD-generated data to extract various types of semantic items.
Authors: Hasib Aslam, Muhammad Ali Chattha, Muhammad Taha Mukhtar, Muhammad Imran Malik, Andreas Dengel, Sheraz Ahmed
Abstract: TCAV (Testing with Concept Activation Vectors) is an interpretability method that assesses the alignment between the internal representations of a trained neural network and human-understandable, high-level concepts. Though effective, TCAV suffers from significant computational overhead, inter-layer disagreement of TCAV scores, and statistical instability. This work takes a step toward addressing these challenges by introducing E-TCAV, a framework for efficient approximation of TCAV scores, which is based on extensive investigation into three key aspects of the TCAV methodology: 1) the effect of latent classifiers on the stability of TCAV scores, 2) the inter-layer agreement of TCAV scores, and 3) the use of the penultimate layer as a fast proxy for earlier layers for TCAV computation. To ensure a solid foundation for E-TCAV, we conduct extensive evaluations across four different architectures and five datasets, encompassing problems from both computer vision and natural language domains. Our results show that the layers in the final block of the neural network strongly agree with the penultimate layer in terms of the TCAV scores, and the commonly observed variance of the TCAV scores can be attributed to the choice of the latent classifier. Leveraging this inter-layer agreement and the degeneracy of directional sensitivities at the penultimate layer, E-TCAV guarantees linearly scaling speed-ups with respect to the network's size and the number of evaluation samples, marking a step towards efficient model debugging and real-time concept-guided training.
Authors: Anthony Stephenson
Abstract: We present a theoretically grounded Gaussian process framework that leverages neural feature maps to construct expressive kernels. We show that the learned feature map can be interpreted as an optimal low-rank approximation to a Gram matrix derived from an implied RKHS, from which we establish consistency of the GP posterior. We further analyse the spectral properties of the induced kernels and introduce product feature-map kernels to address oversmoothing. This simple yet powerful approach enables fast, scalable, and accurate exact GP inference with minimal upfront work. The flexibility of kernel design supports seamless application to both regression and classification tasks across diverse data modalities, including tabular inputs and structured domains such as images. On benchmark datasets, this approach surpasses pre-existing methods in terms of accuracy and training and prediction efficiency.
Authors: Lucas Morisset, Alain Durmus, Adrien Hardy
Abstract: This paper aims at analyzing the regularization effect that data augmentation induces on supervised regression methods in the proportional regime, where the number of covariates grows proportionally to the number of samples. We provide a tight characterization of the test error, measured in mean squared error, in terms only of the population quantities of the true data, as well as first and second order statistics of the augmentation scheme. Our results are valid under misspecified feature maps, and for any network architecture where only the last readout layer is trained, and the rest of the network is either frozen or randomly initialized. We specify our results in the case of Gaussian data, and show that our asymptotic characterization is tight in this setting.
Authors: Anton Bazdyrev, Ivan Bashtovyi, Ivan Havlytskyi, Oleksandr Kharytonov, Artur Khodakovskyi
Abstract: We participated in the Fifth UNLP shared task on multi-domain document understanding, where systems must answer Ukrainian multiple-choice questions from PDF collections and localize the supporting document and page. We propose a retrieval-augmented pipeline built around three ideas: contextual chunking of PDFs, question-aware dense retrieval and reranking conditioned on both the question and answer options, and constrained answer generation from a small set of reranked passages. Our final system uses Qwen3-Embedding-8B for retrieval, a fine-tuned Qwen3-Reranker-8B for passage ranking, and Qwen3-32B for answer selection. On a held-out split, reranking improves Recall@1 from 0.6957 to 0.7935, while using the top-2 reranked passages raises answer accuracy from 0.9348 to 0.9674. Our best leaderboard run reached 0.9452 on the public leaderboard and 0.9598 on the private leaderboard. Our results suggest that, under strict code-competition constraints, preserving document structure and making relevance estimation aware of the answer space are more effective than adding complex downstream heuristics.
Authors: Btissame El Mahtout, Florian Ziel
Abstract: We propose a novel adaptive Mixture-of-Experts (MoE) framework for time series forecasting that enhances expert specialization by incorporating expert-specific loss information directly into the training process. Notably, the overall objective comprises the base forecasting loss and expert-specific losses, allowing expert-level prediction errors to jointly shape training alongside the global forecasting loss. This framework is further combined with a partial online learning strategy, enabling incremental updates of both the gating mechanism and expert parameters. This approach significantly reduces computational cost by eliminating the need for repeated full model retraining. By integrating expert-level loss awareness with efficient online optimization, the proposed method achieves improved learning efficiency while maintaining strong predictive performance. Empirical results across economic, tourism, and energy datasets with varying frequencies demonstrate that the proposed approach generally outperforms both statistical methods and state-of-the-art neural network models, such as Transformers and WaveNet, in forecasting accuracy and computational efficiency. Furthermore, ablation studies confirm the effectiveness of the expert-specific loss integration strategy, highlighting its contribution to enhancing predictive performance.
Authors: Rashi Sharma, Justin Timothy C. Bersamin, Karthikk Subramanian
Abstract: Annotating bounding boxes is costly and limits the scalability of object detection. This challenge is compounded by the need to preserve high accuracy while minimizing manual effort in real-world applications. Prior active learning methods often depend on model features or modify detector internals and training schedules, increasing integration overhead. Moreover, they rarely jointly exploit the benefits of image-level signals, class-imbalance cues, and instance-level uncertainty for comprehensive selection. We present Portable Active Learning (PAL), a detector-agnostic, easily portable framework that operates solely on inference outputs. PAL combines class-wise instance uncertainty with image-level diversity to guide data selection. At each round, PAL trains lightweight class-specific logistic classifiers to distinguish true from false positives, producing entropy-based uncertainty scores for proposals. Candidate images are then refined using global image entropy, class diversity, and image similarity, yielding batches that are both informative and diverse. PAL requires no changes to model internals or training pipelines, ensuring broad compatibility across detectors. Extensive experiments on COCO, PASCAL VOC, and BDD100K demonstrate that PAL consistently improves label efficiency and detection accuracy compared to existing active learning baselines, making it a practical solution for scalable and cost-effective deployment of object detection in real-world settings.
Authors: Fatima-Zahrae El-Boukkouri, Josselin Garnier, Olivier Roustant
Abstract: Solving nonlinear partial differential equations (PDEs) using kernel methods offers a compelling alternative to traditional numerical solvers. However, the performance of these methods strongly depends on the choice of kernel. In this work, as the available information is inherently multifidelity, we propose a kernel learning approach based on cokriging, leveraging empirical information from multifidelity simulations. In the first step, we fit a differentiable non-stationary kernel to an empirical kernel obtained from low-fidelity simulations. In the second step, we derive a high-fidelity kernel with estimated hyperparameters, and construct a corresponding high-fidelity mean using the multifidelity framework. These components can then be used within a Gaussian process framework for solving PDEs. Finally, we demonstrate the performance of the proposed physics-informed method on the Burgers' equation.
Authors: Masaki Adachi, Anita Yang, Yakun Wang, Song Liu
Abstract: Guided-diffusion black-box optimization (BO) has shown strong empirical performance on structured design problems such as molecules and crystals, but its regret behavior remains poorly understood. Existing BO regret analyses typically rely on maximum information gain, non-pretrained surrogate models, or exact acquisition maximization -- assumptions that break down in modern diffusion -- BO pipelines, where pretrained diffusion models serve as powerful priors over valid structures and acquisition maximization is replaced by approximate sampling over astronomically large discrete spaces. We develop a first certificate-based expected simple-regret framework for guided-diffusion BO that avoids maximum-information-gain bounds, RKHS assumptions, and exact acquisition maximization. The central quantity in our analysis is mass lift: the increase in probability mass assigned to near-optimal designs relative to the pretrained generator. This view explains how exponential-looking finite-budget convergence and polynomial acceleration can all arise from the same mechanism. We also give practical diagnostics for estimating search exponents from finite candidate pools and a proposal-corrected resampling construction that provides a fully certified sampler instance.
Authors: Minh-Toan Nguyen, Jean Barbier
Abstract: We study the information-theoretic limits of learning a one-hidden-layer teacher network with hierarchical features from noisy queries, in the context of knowledge transfer to a smaller student model. We work in the high-dimensional regime where the teacher width $k$ scales linearly with the input dimension $d$ -- a setting that captures large-but-finite-width networks and has only recently become analytically tractable. Using a heuristic leave-one-out decoupling argument, validated numerically throughout, we derive asymptotically sharp characterizations of the Bayes-optimal generalization error and individual feature overlaps via a system of closed fixed-point equations. These equations reveal that feature learnability is governed by a sequence of sharp phase transitions: as data grows, teacher features become recoverable sequentially, each through a discontinuous jump in overlap. This sequential acquisition underlies a precise notion of \textit{effective width} $k_c$ -- the number of learnable features at a given data budget $n$ -- which unifies two distinct scaling regimes: a feature-learning regime in which the Bayes-optimal generalization error $\varepsilon^{\rm BO}$ scales as $ n^{1/(2\beta)-1}$, and a refinement regime in which it scales as $n^{-1}$, where $\beta>1/2$ is the exponent of the power-law feature hierarchy. Both laws collapse to the single relation $\varepsilon^{\rm BO}=\Theta(k_c d/n)$. We further show empirically that a student trained with \textsc{Adam} near the effective width $k_c$ achieves these optimal scaling laws (up to a small algorithmic gap), and provide an information-theoretic account of the associated scaling in model size.
Authors: Chaeyoung Lee, Chaeri Jung, Seonghoon Jeong
Abstract: Domain Generation Algorithms (DGAs) evolve continuously to evade botnet detection, posing a persistent challenge for dependable network defense. While deep learning-based detectors achieve strong performance under static conditions, they suffer severe degradation when facing temporal drift. Through a 9-year longitudinal study (2017-2025), we empirically show that state-of-the-art character- and word-based DGA classifiers rapidly lose effectiveness as new DGA variants emerge. To address this problem, we propose a drift-resilient Transformer-based framework that learns invariant representations through a hybrid tokenization strategy and multi-task self-supervised pre-training. The model integrates (i) character-level encoding to capture stochastic morphological patterns and (ii) subword-level encoding for word-based DGAs. Three pre-training tasks enable the model to learn robust structural and contextual features prior to supervised fine-tuning. Comprehensive evaluations demonstrate that our method significantly mitigates temporal degradation and consistently outperforms state-of-the-art baselines in forward-chaining experiments. The proposed approach offers a dependable foundation for long-term DGA defense in evolving threat landscapes. Our code is available at: https://github.com/snsec-net/2026-DSN-DRIFT.
Authors: Anna Lunghi, Matteo Castiglioni, Alberto Marchesi
Abstract: We address the problem of maximizing Gain from Trade (GFT) in repeated buyer-seller exchanges subject to global budget balance constraints. While this problem is well-understood in purely adversarial and stochastic settings, these environments exhibit a sharp dichotomy: adversarial environments allow for no-regret learning against the best fixed-price mechanism, whereas stochastic environments allow for no-regret learning against the best distribution over prices that is budget balanced in expectation. This gap is significant, as policies balanced in expectation can increase the GFT by a multiplicative factor of two. In this work, we bridge these extremes by studying perturbed markets, where an underlying stochastic distribution is subject to an adversarial corruption $C$. We design an algorithm that adaptively scales with the level of corruption, achieving an $\tilde{\mathcal{O}}(T^{3/4}) + \mathcal{O}(C\log(T))$ regret bound against the best budget-balanced distribution over prices. Simultaneously, our algorithm maintains the worst-case $\tilde{\mathcal{O}}(T^{3/4})$ regret bound relative to a per-round budget-balanced baseline, ensuring optimality even in fully adversarial environments.
Authors: Qingyun Guo, Junyi Shi, Tomasz Piotr Kucner, Dominik Baumann
Abstract: Event-triggered control provides a mechanism for avoiding excessive use of constrained communication bandwidth in networked multi-agent systems. However, most existing methods rely on accurate system models, which may be unavailable in practice. In this work, we propose a model-free, priority-driven reinforcement learning algorithm that learns communication priorities and control policies jointly from data in decentralized multi-agent systems. By learning communication priorities, we circumvent the hybrid action space typical in event-triggered control with binary communication decisions. We evaluate our algorithm on benchmark tasks and demonstrate that it outperforms the baseline method.
Authors: Yousef A. Radwan, Yao Li, Qing Qing, Ziqi Xu, Xingtong Yu, Jiaxing Huang, Renqiang Luo, Xikun Zhang
Abstract: Biomedical knowledge graphs underwrite drug repurposing and clinical decision support, yet the upstream ontologies they depend on update on independent cycles that add millions of edges and deprecate hundreds of thousands more between releases. Yet existing continual graph learning has been studied almost exclusively on synthetic random splits of static, generic KGs, a regime that cannot reproduce the asynchronous, structured evolution real biomedical KGs undergo. To this end, we introduce PrimeKG-CL, a CGL benchmark built from nine authoritative biomedical databases (129K+ nodes, 8.1M+ edges, 10 node types, 30 relation types) with two genuine temporal snapshots (June 2021, July 2023; 5.83M edges added, 889K removed, 7.21M persistent), 10 entity-type-grouped tasks, multimodal node features, and a per-task persistent/added/removed test stratification. On three tasks (biomedical relationship prediction, entity classification, KGQA), we evaluate six CL strategies across four KGE decoders, plus LKGE, an LLM-RAG agent, and CMKL. We find that decoder choice and continual learning strategy interact strongly: no single strategy performs best across all decoders, and mismatched combinations can significantly degrade performance. Moreover, only DistMult exhibits a clear separation between persistent and deprecated knowledge, indicating that standard metrics conflate retention of still-valid facts with failure to forget outdated ones; this effect is absent under RotatE. In addition, multimodal features improve entity-level tasks by up to 60%, and a recent CKGE framework (IncDE) failed to scale to our 5.67M-triple base task across five attempts up to 350GB RAM. Data, pipeline, baselines, and the stratified split are released openly. Dataset:huggingface.co/datasets/yradwan147/PrimeKGCL|Code:github.com/yradwan147/primekg-cl-neurips2026
Authors: Yao Li, Xikun Zhang, Xiaotao Shen, Sonika Tyagi, Xin Zheng, Jiaxing Huang, Feng Xia
Abstract: Epigenetic clocks based on DNA methylation have emerged as powerful tools for estimating biological age, with broad applications in aging research, age-related disease studies, and longevity science. Despite advances across machine learning approaches to epigenetic age prediction, spanning penalised linear regression, deep feedforward networks, residual architectures, and graph neural networks, no existing method jointly models co-methylation graph structure and site-specific DNA sequence context within a unified framework. We propose a unified sequence--graph integration framework for epigenetic age prediction that addresses this gap, integrating eight-dimensional DNA sequence statistical features through a lightweight gated modulation mechanism that adaptively scales each site's methylation signal according to its sequence-determined biological relevance prior to graph convolution. Evaluated on 3,707 blood methylation samples against a comprehensive set of baselines, our method achieves a test MAE of 3.149 years, a 12.8\% improvement over the strongest graph-based baseline. Biologically informed statistical features outperform CNN-based sequence encoding, demonstrating that handcrafted sequence features are more effective than end-to-end learned representations in this data regime. Post-hoc interpretability analysis identifies CpG density and local adenine frequency as features with age-dependent importance shifts, consistent with known mechanisms of age-related hypermethylation at CpG-dense promoter regions. Our code is at https://github.com/yaoli2022/graphage-seq.
Authors: Vittorio Palladino, Gianluca Palermo, Michael E. Papka, Zhiling Lan
Abstract: As large language models span dense, mixture-of-experts, and state-space architectures and are deployed on heterogeneous accelerators under increasingly diverse multimodal workloads, optimising inference energy has become as critical as optimizing latency and throughput. Existing approaches either treat latency as an energy proxy or rely on data-hungry black-box surrogates. Both fail under varying parallelism strategies: latency and energy optima diverge in over 20% of configurations we tested, and black-box surrogates require hundreds of profiling samples to generalize across model families and hardware. We present EnergyLens, which uses symbolic regression as a structure-discovery tool over profiling data to derive a single twelve-parameter closed-form energy model expressed in terms of system properties such as degree of parallelism, batch size, and sequence length. Unlike black-box surrogates, EnergyLens decouples tensor and pipeline parallelism contributions and separates prefill from decode energy, making its predictions physically interpretable and actionable. Fitted from as few as 50 profiling measurements, EnergyLens achieves 88.2% Top-1 configuration selection accuracy across many evaluation scenarios compared to 60.9% for the closest prior analytical baseline, matches the predictive accuracy of ensemble ML methods with 10x fewer profiling samples, and extrapolates reliably to unseen batch sizes and hardware platforms without structural modification, making it a practical, interpretable tool for energy-optimal LLM deployment.
Authors: Disha Hegde, Marvin Pf\"ortner, Jon Cockayne
Abstract: Probabilistic linear solvers (PLSs) return probability distributions that quantify uncertainty due to limited computation in the solution of linear systems. The literature has traditionally distinguished between Bayesian PLSs, which condition a prior on information obtained from projections of the linear system, and probabilistic iterative methods (PIMs), which lift classical iterative solvers to probability space. In this work we show this dichotomy to be false: Bayesian PLSs are a special case of non-stationary affine PIMs. In addition, we prove that any realistic affine PIM is calibrated. These results motivate a focus on (non-stationary) affine PIMs, but their practical adoption has been limited by the significant manual effort required to implement them. To address this, we introduce affine tracing, an algorithmic framework that automatically constructs a PIM from a standard implementation of an affine iterative method by passing symbolic tracers through the computation to build an affine computational graph. We show how this graph can be transformed to compute posterior covariances, and how equality saturation can be used to perform algebraic simplifications required for computation under specific prior choices. We demonstrate the framework by automatically generating a probabilistic multigrid solver and evaluate its performance in the context of Gaussian process approximation.
Authors: Phongsakon Mark Konrad, Toygar Tanyel, Serkan Ayvaz
Abstract: Safe fine-tuning defenses are often endorsed on the basis of a held-out gap reduction, but the same reduction can come from sampling noise, subject artifacts, capability loss, or a mechanism that does not transfer. We introduce Acceptance Cards: an evaluation protocol, a documentation object, an executable audit package, and a claim-specific evidential standard for safe fine-tuning defense claims. The protocol checks statistical reliability, fresh semantic generalization, mechanism alignment, and cross-task transfer before treating a gap reduction as a full-card pass. Re-scored under this installed-gap protocol, SafeLoRA fails the full-card pass on Gemma-2-2B-it: under strict mechanism-class coding it fails all four diagnostics, and under a permissive shrinkage relabel it still fails three of four. This is a narrow installed-gap audit on one model family, not a global judgment of SafeLoRA's effectiveness. In a 46-cell audit, no cell satisfies the strict conjunction. The closest family is a near miss that passes reliability and mechanism checks where the required data are available, but fails the fresh-subject threshold, lacks a strict transfer pass, and carries a measurable deployment-accuracy cost.
Authors: Emil Javurek, Dennis Frauen, Marie Brockschmidt, Jonas Schweisthal, Stefan Feuerriegel
Abstract: Causal sensitivity analysis aims to provide bounds for causal effect estimates in the presence of unobserved confounding. However, existing methods for causal sensitivity analysis are per-instance procedures, meaning that changes to the dataset, causal query, sensitivity level, or treatment require new computation. Here, we instead present an in-context learning approach. Specifically, we propose an amortized approach to causal sensitivity analysis based on prior-data fitted networks. A key challenge is that the sensitivity bounds are not directly available when sampling training data. To address this, we develop a general prior-data construction that is applicable across the class of generalized treatment sensitivity models. Our construction involves a Lagrangian scalarization of the objective to generate training labels for the bounds through a tradeoff between causal effect min/max-imization and sensitivity model violation, which avoids model-specific analytical derivations. We further show that, under standard convexity and linearity conditions, our objective recovers the full Pareto frontier of solutions. Empirically, we demonstrate our amortized approach across various datasets, causal queries, and sensitivity levels, where our approach achieves a test-time computation that is orders of magnitude faster than per-instance methods. To the best of our knowledge, ours is the first foundation model for in-context learning for causal sensitivity analysis.
Authors: Vipin Singh, Tianheng Ling, Peter Ghaly, Felix Grimmeisen, Gregor Schiele, Felix Biessmann
Abstract: Aging combined sewer systems in many historical cities are increasingly stressed by extreme rainfall events, which can trigger combined sewer overflows (CSO) with significant environmental and public health impacts. Forecasting the filling dynamics of overflow basins is critical for anticipating capacity exceedance and enabling timely preventive actions for CSO. We present a web-based demonstrator (https://riwwer.demo.calgo-lab.de) that integrates Deep Learning forecasting methods in both cloud and edge settings into an interactive monitoring dashboard for overflow monitoring, resilient to network outages. A video showcase is available online (https://cloud.bht-berlin.de/index.php/s/b9xt4T3SdiLBiFZ).
URLs: https://riwwer.demo.calgo-lab.de), https://cloud.bht-berlin.de/index.php/s/b9xt4T3SdiLBiFZ).
Authors: Marc Neu, Frank Baptist, Thomas Lobmaier, Fabio Papagno, Torben Ferber, J\"urgen Becker
Abstract: Graph neural networks are increasingly adopted in trigger systems for collider experiments, where strict latency and throughput constraints render deployment on embedded platforms challenging. As detectors move towards higher granularity, the number of inputs per inference increase and FPGA-only solutions face resource bottlenecks. This work presents an end-to-end demonstrator for the real-time deployment of a dynamic Graph Neural Network for the Belle II electromagnetic calorimeter hardware trigger on the AMD Versal VCK190, leveraging both FPGA fabric and AI Engine tiles. We develop a Python-based semi-automated design flow covering operator fusion, partitioning, mapping, spatial parallelization, and kernel-level optimization. Our design achieves a throughput of 2.94 million events per second at an end-to-end latency of 7.15 microseconds. Compared to the FPGA-only baseline, this represents a 53% throughput improvement while reducing DSP utilization from 99% to 19% at 29% AI Engine tile utilization. To validate the deployment, an interactive visualization pipeline enables real-time monitoring of inference results on the physical demonstrator.
Authors: Feliciano Giuseppe Pacifico, Duccio Fanelli, Lorenzo Buffoni, Lorenzo Chicchi, Diego Febbe, Raffaele Marino
Abstract: We introduce a technique that enables Neural-ODEs to approximate arbitrary velocity fields with a priori planted fixed-points. Specifically, a recipe is given to explicitly accommodate for a finite collection of points in the reference multi-dimensional space of the Neural-ODE where the velocity field is exactly equal to zero. In this way, the gradient-based training is rigorously constrained inside the prescribed hypothesis class while leaving the expressive power of the Neural-ODE unaltered. We rigorously prove the universality of the Neural-ODE under any local constraints in the velocity field and give a computationally convenient way of imposing the fixed points. Our method is then tested on two paradigmatic physical models.
Authors: Ramesh Arvind Naagarajan, Z\"uhal Wagner, Stefan Streif
Abstract: Model Predictive Control (MPC) is widely used to operate safety-critical infrastructure by predicting future trajectories and optimizing control actions. However, nonlinear dynamics, hard safety constraints, and numerical optimization often render individual control moves opaque to human operators, undermining trust and hindering deployment. This paper presents Hierarchical Causal Abduction (HCA), which combines (i) physics-informed reasoning via domain knowledge graphs, (ii) optimization evidence from Karush--Kuhn--Tucker (KKT) multipliers, and (iii) temporal causal discovery via the PCMCI algorithm to generate faithful, human-interpretable explanations for control actions computed by nonlinear MPC. Across three diverse control applications (greenhouse climate, building HVAC, chemical process engineering) with expert validation, HCA improves explanation accuracy by 53\% over LIME (0.478 vs. 0.311) using a single set of cross-domain parameters without per-domain tuning; domain-specific KKT-threshold calibration over 2--3 days further increases accuracy to 0.88. Ablation studies confirm that each evidence source is essential, with 32--37\% accuracy degradation when any component is removed, and HCA's ranking-and-validation methodology generalizes beyond MPC to other prediction-based decision systems, including learning-based control and trajectory planning.
Authors: Zanmin Wang
Abstract: Modern language models scale depth by stacking layers, each holding its own state - a per-layer KV cache in transformers, a per-layer matrix in Mamba, Gated DeltaNet (GDN), RWKV, and xLSTM. Biological systems lean heavily on recurrence rather than on stacking. We ask how far that shape can go on language modeling. We propose Grounded Prediction Networks (GPN): one state vector revisited at every step through a single recurrent block - one FFN, one shared matrix memory. At 130M parameters, a 1-layer GPN+M reaches FineWeb-Edu perplexity 18.06, within 13% of a 12-layer Transformer++ (16.05) and 18% of a 10-layer GDN (15.34); a 2-layer variant closes the gap to 6%/11%. We do not match the deep baselines. Because the working context is a single vector, we can directly inspect its geometry: a persistent default-token direction, a content-bearing horizon of tens of tokens, and memory heads that split spontaneously into fast and slow retention pools.
Authors: Qingxin Xiao, Peilin Zhao, Yangyang Zhao, Lingwei Dang, Qingyao Wu
Abstract: During MLLM decoding, attention often abnormally concentrates on irrelevant image tokens. While existing research dismisses this as invalid noise and forcibly redirects attention to compel focusing on key image information, we argue these tokens are critical carriers of visual and narrative logic, and such coercive corrections exacerbate visual-language imbalance. Adopting a "decoding-as-game" perspective, we reveal that hallucinations stem from an equilibrium imbalance between linguistic priors and visual information. We propose Adversarial Counter-Commonsense Equilibrium (ACE), a training-free framework that perturbs visual context via counter-commonsense patches. Leveraging the fact that authentic visual features remain stable under perturbation while hallucinations fluctuate, ACE implements a dynamic game decoding strategy. This approach precisely suppresses perturbation-sensitive priors while compensating for stable visual signals to restore balance. Extensive experiments demonstrate that ACE, as a plug-and-play strategy, enhances model trustworthiness with negligible inference overhead.
Authors: Rostislav Gusev, Nikita Aleksandrov, Artem Solomkin, Dmitry Artemasov
Abstract: Forward error correction is essential for reliable communication over noisy channels. Attention-based model-free neural decoders have shown strong performance for short codes, but their scalability to longer codes is limited by the quadratic memory and computational cost of attention. In this paper, we introduce the Mamba message-passing decoder (MMPD), an attention-free syndrome-based neural decoder for binary linear codes. MMPD retains the Tanner-graph structure of a message-passing decoder by performing local pairwise aggregation along variable-check edges. To enable efficient long-range information propagation, these local updates are combined with bidirectional Mamba state-space blocks. By avoiding dense attention matrices, MMPD scales more favorably for long codes in both memory and computation. Experiments on the (1056, 880) LDPC code show that MMPD achieves a 0.45 dB gain over the state-of-the-art CrossMPT decoder at a specified target bit error rate, while reducing memory consumption by a factor of 1.5. This reduction factor increases substantially for longer codes, demonstrating the applicability of MMPD to scalable neural decoding of practical long codes.
Authors: Youssef Chaabouni, David Gamarnik
Abstract: We study sparse recovery when observations come from mixed-quality sources: a small collection of high-quality measurements with small noise variance and a larger collection of lower-quality measurements with higher variance. For this heterogeneous-noise setting, we establish sample-size conditions for information-theoretic and algorithmic recovery. On the information-theoretic side, we show that it is sufficient for $(n_1, n_2)$ to satisfy a linear trade-off defining the Price of Quality: the number of low-quality samples needed to replace one high-quality sample. In the agnostic setting, where the decoder is completely agnostic to the quality of the data, it is uniformly bounded, and in particular one high-quality sample is never worth more than two low-quality samples for this sufficient condition to hold. In the informed setting, where the decoder is informed of per-sample variances, the price of quality can grow arbitrarily large. On the algorithmic side, we analyze the LASSO in the agnostic setting and show that the recovery threshold matches the homogeneous-noise case and only depends on the average noise level, revealing a striking robustness of computational recovery to data heterogeneity. Together, these results give the first conditions for sparse recovery with mixed-quality data and expose a fundamental difference between how the information-theoretic and algorithmic thresholds adapt to changes in data quality.
Authors: Suvi De Silva, Alfreds Lapkovskis, Alaa Saleh, Sasu Tarkoma, Praveen Kumar Donta
Abstract: Grey failures in the computing continuum produce ambiguous overlapping symptoms that existing approaches fail to diagnose reliably, either due to a lack of causal awareness or acting under high epistemic uncertainty, risking destructive interventions. This paper presents an uncertainty-aware resilience micro-agent for causal observability (AURORA), a lightweight framework for diagnosing and mitigating grey failures in edge-tier environments. The framework employs parallel micro-agents that integrate the free-energy principle, causal do-calculus, and localized causal state-graphs to support counterfactual root-cause analysis within each fault's Markov blanket. Restricting inference to causally relevant variables reduces computational overhead while preserving diagnostic fidelity. AURORA further introduces a dual-gated execution mechanism that authorizes remediation only when causal confidence is high and predicted epistemic uncertainty is bounded; otherwise, it abstains from local intervention and escalates the diagnostic payload to the fog tier. Our experiments demonstrate that AURORA outperforms baselines, achieving a 0% destructive action rate, while maintaining 62.0% repair accuracy and a 3ms mean time to repair.
Authors: Huimin Wang, Leilei Ouyang, Chang Xia, Yongqi Kang, Yu Fu, Yuqi Ouyang
Abstract: Generating long-horizon music videos (MVs) is frequently constrained by prohibitive computational costs and difficulty maintaining cross-shot consistency. We propose AllocMV, a hierarchical framework formulating music video synthesis as a Multiple-Choice Knapsack Problem (MCKP). AllocMV represents the video's persistent state as a compact, structured object comprising character entities, scene priors, and sharing graphs, produced by a global planner prior to realization. By estimating segment saliency from multimodal cues, a group-level MCKP solver based on dynamic programming optimally allocates resources across High-Gen, Mid-Gen, and Reuse branches. For repetitive musical motifs, we implement a divergence-based forking strategy that reuses visual prefixes to reduce costs while ensuring motif-level continuity. Evaluated via the Cost-Quality Ratio (CQR), AllocMV achieves an optimal trade-off between perceived quality and resource expenditure under strict budgetary and rhythmic constraints.
Authors: Tao Hu, Da-Wei Zhou
Abstract: Multimodal Large Language Models (MLLMs) achieve strong performance through instruction tuning, yet real-world deployment often requires continual capability expansion across sequential tasks. In such scenarios, Multimodal Continual Instruction Tuning (MCIT) aims to acquire new capabilities while limiting catastrophic forgetting. Existing methods mainly follow a module-composition paradigm: they maintain task-level prompts or LoRA experts and dynamically route or aggregate a subset of them at inference. However, samples within the same task can still differ substantially in visual scenes, question intents, and reasoning demands. This motivates instance-level adaptation to individual query-image pairs rather than only selecting or combining task-level modules. To this end, we propose DRAPE (Dynamic Cross-Modal Prompt Generation), a prompt-learning framework that synthesizes continuous instance-specific soft prompts for MCIT. Instead of selecting prompts from a fixed pool, DRAPE derives prompt queries from the textual instruction and cross-attends to visual patch features, producing query-image conditioned prompts that are prepended to the frozen LLM. To mitigate forgetting during sequential updates, DRAPE applies null-space gradient projection to the shared projector and uses CLIP-based prototype routing for task-label-free generator selection at inference. Extensive experiments on MCIT benchmarks show that DRAPE achieves state-of-the-art performance among representative prompt-based and LoRA-based continual-learning baselines.
Authors: Romain Petit, Clarice Poon, Gabriel Peyr\'e
Abstract: A surprising phenomenon in the training of neural networks is the ability of gradient descent to find global minimizers of the training loss despite its non-convexity. Following earlier works, we investigate this behavior for wide shallow networks. Existing results essentially cover the case of ReLU activations and the case of sigmoid activations with scalar output weights. We study a large class of models that includes multi-head attention layers and two-layer sigmoid networks with vector output weights. Building upon [Chizat and Bach, 2018], we prove that all non-global minimizers of the training loss are unstable under gradient descent dynamics. Thus, when the initial distribution of the parameters has full support (which includes the popular Gaussian case), and in the many hidden neurons or attention heads limit, continuous-time gradient descent can only converge to global minimizers. Establishing the instability of non-global minimizers corresponds to the construction of an ``escaping active set'' -- we complete the proof of [Chizat and Bach, 2018] to construct this set for models with bounded nonlinearities and scalar output weights. We also extend this construction to new cases for models with vector output weights. Finally, we show the well-posedness and the stability with respect to discretization of the mean field training dynamic for sub-Gaussian initializations.
Authors: Yesom Park, Eric Gelphman, Stanley Osher, Samy Wu Fung
Abstract: We propose an implicit neural formulation of optimal transport that eliminates adversarial min--max optimization and multi-network architectures commonly used in existing approaches. Our key idea is to parameterize a single potential in the Kantorovich dual and reformulate the associated c-transform as a proximal fixed-point problem. This yields a stable single-network framework in which dual feasibility is enforced exactly through proximal optimality conditions rather than adversarial training. Despite the inner fixed-point computation, gradients can be computed without differentiating through the fixed-point iterations, enabling efficient training without requiring implicit differentiation. We further establish convergence of stochastic gradient descent. The resulting framework is efficient, scalable, and broadly applicable: it simultaneously recovers forward and backward transport maps and naturally extends to class-conditional settings. Experiments on high-dimensional Gaussian benchmarks, physical datasets, and image translation tasks demonstrate strong transport accuracy together with improved training stability and favorable computational and memory efficiency.
Authors: Alessio Giorlandino, Sebastian Goldt, Antoine Maillard
Abstract: Large language models demonstrate remarkable ability in factual recall, yet the fundamental limits of storing and retrieving input--output associations with neural networks remain unclear. We study these limits in a minimal setting: a linear associative memory that maps $p$ input embeddings in $\mathbb{R}^d$ to their corresponding~$d$-dimensional targets via a single layer, requiring each mapped input to be well separated from all other targets. Unlike in supervised classification, this strict separation induces~$p$ constraints per association and produces strong correlations between constraints that make a direct characterisation of the storage capacity difficult. Here, we provide a precise characterisation of this capacity in the following way. We first introduce a decoupled model in which each input has its own independent set of competing outputs, and provide numerical and analytical evidence that this decoupled model is equivalent to the original model in terms of storage capacity, spectra of the learnt weights, and storage mechanism. Using tools from statistical physics, we show that the decoupled model can store up to $p_c \log p_c / d^2 = 1 / 2$ associations, and generalise the computation of $p_c$ to linear two-layer architectures. Our analysis also gives mechanistic insight into how the optimal solution improves over a na\"ive Hebbian learning rule: rather than boosting input-output alignments with broad fluctuations, the optimal solution raises the correct scores just above the extreme-value threshold set by the competing outputs. These findings give a sharp statistical-physics characterisation of factual storage in linear networks and provide a baseline for understanding the memory capacity of more realistic neural architectures.
Authors: Juyi Lin, Arash Akbari, Yumei He, Lin Zhao, Haichao Zhang, Arman Akbari, Xingchen Xu, Zoe Y. Lu, Enfu Nan, Hokin Deng, Edmund Yeh, Sarah Ostadabbas, Yun Fu, Jennifer Dy, Pu Zhao, Yanzhi Wang
Abstract: Generative world models are increasingly used for video generation, where learned simulators are expected to capture the physical rules that govern real-world dynamics. However, evaluating whether generated videos actually follow these rules remains challenging. Existing physics-focused video benchmarks have made important progress, but they still face three key challenges, including the coarse evaluation frameworks that hide law-specific failures, response biases and fatigue that undermine the validity of annotation judgments, and automated evaluators that are insufficiently physics-aware or difficult to audit. To address those challenges, we introduce PhyGround, a criteria-grounded benchmark for evaluating physical reasoning in video generation. The benchmark contains 250 curated prompts, each augmented with an expected physical outcome, and a taxonomy of 13 physical laws across solid-body mechanics, fluid dynamics, and optics. Each law is operationalized through observable sub-questions to enable per-law diagnostics. We evaluate eight modern video generation models through a large-scale, quality-controlled human study, grounded on social science lab experiment design. A total of 459 annotators provided 5,796 complete annotations and over 37.4K fine-grained labels; after quality control, the retained annotations exhibited high split-half model-ranking correlations (Spearman's rho > 0.90). To support reproducible automated evaluation, we release PhyJudge-9B, an open physics-specialized VLM judge. PhyJudge-9B achieves substantially lower aggregate relative bias than Gemini-3.1-Pro (3.3% vs. 16.6%). We release prompts, human annotations, model checkpoints, and evaluation code on the project page https://phyground.github.io/.
Authors: Johann Knechtel, Ozgur Sinanoglu, Ramesh Karri
Abstract: The integration of Large Language Models (LLMs) into Electronic Design Automation (EDA) and hardware security is rapidly reshaping the semiconductor industry. While LLMs offer unprecedented capabilities in generating Register Transfer Level (RTL) code, automating testbenches, and bridging the semantic gap between high-level specifications and silicon, they simultaneously introduce severe vulnerabilities. This comprehensive review provides an in-depth analysis of the state-of-the-art in LLM-driven hardware design, organized around key advancements in EDA synthesis, hardware trust, design for security, and education. We systematically expand on the methodologies of recent breakthroughs -- from reasoning-driven synthesis and multi-agent vulnerability extraction to data contamination and adversarial machine learning (ML) evasion. We integrate general discussions on critical countermeasures, such as dynamic benchmarking to combat data memorization and aggressive red-teaming for robust security assessment. Finally, we synthesize cross-cutting lessons learned to guide future research toward secure, trustworthy, and autonomous design ecosystems.
Authors: Moksh Jain, Mehdi Bennani, Johannes Bausch, Yuri Chervonyi, Bogdan Georgiev, Simon Osindero, Nenad Toma\v{s}ev
Abstract: Scientific discovery is fundamentally a resource-constrained process that requires navigating complex trade-offs between the quality and quantity of measurements due to physical and cost constraints. Measurements drive the scientific process by revealing novel phenomena to improve our understanding. Existing benchmarks for evaluating agents for scientific discovery focus on either static knowledge-based reasoning or unconstrained experimental design tasks, and do not capture the ability to make measurements and plan under constraints. To bridge this gap, we propose Measuring and Discovering Physics (MaD Physics), a benchmark to evaluate the ability of agents to make informative measurements and conclusions subject to constraints on the quality and quantity of measurements. The benchmark consists of three environments, each based on a distinct physical law. To mitigate contamination from existing knowledge, MaD Physics includes altered physical laws. In each trial, the agent makes measurements of the system until it exhausts an allotted budget and then the agent has to infer the underlying physical law to make predictions about the state of the system in the future. MaD Physics evaluates two fundamental capabilities of scientific agents: inferring models from data and planning under constraints. We also demonstrate how MaD Physics can be used to evaluate other capabilities such as multimodality and in-context learning. We benchmark agents on MaD Physics using four Gemini models (2.5 Flash Lite, 2.5 Flash, 2.5 Pro, and 3 Flash), identifying shortcomings in their structured exploration and data collection capabilities and highlighting directions to improve their scientific reasoning.
Authors: Azmi Haider, Dan Rosenbaum
Abstract: The remarkable achievements of both generative models of 2D images and neural field representations for 3D scenes present a compelling opportunity to integrate the strengths of both approaches. In this work, we propose a methodology that combines a NeRF-based representation of 3D scenes with probabilistic modeling and reasoning using diffusion models. We view 3D reconstruction as a perception problem with inherent uncertainty that can thereby benefit from probabilistic inference methods. The core idea is to represent the 3D scene as a stochastic latent variable for which we can learn a prior and use it to perform posterior inference given a set of observations. We formulate posterior sampling using the score-based inference method of diffusion models in conjunction with a likelihood term computed from a reconstruction model that includes volumetric rendering. We train the model using a two-stage process: first we train the reconstruction model while auto-decoding the latent representations for a dataset of 3D scenes, and then we train the prior over the latents using a diffusion model. By using the model to generate samples from the posterior we demonstrate that various 3D reconstruction tasks can be performed, differing by the type of observation used as inputs. We showcase reconstruction from single-view, multi-view, noisy images, sparse pixels, and sparse depth data. These observations vary in the amount of information they provide for the scene and we show that our method can model the varying levels of inherent uncertainty associated with each task. Our experiments illustrate that this approach yields a comprehensive method capable of accurately predicting 3D structure from diverse types of observations.
Authors: Daniel Dratschuk, Paul Swoboda
Abstract: Optical Music Recognition (OMR), the task of transcribing sheet music into a structured textual representation, is currently bottlenecked by a lack of large-scale, annotated datasets of real scans. This forces models to rely on either few-shot transfer or synthetic training pipelines that remain overly simplistic. A secondary challenge is encoding non-uniqueness: in the popular Humdrum **kern format for transcribing music, multiple different text encodings can render into the same visual sheet music. This one-to-many mapping creates a harder learning task and introduces high uncertainty during decoding. We propose Transcoda, an OMR system built on (i) an advanced synthetic data generation pipeline, (ii) a normalization of the **kern encoding to enforce a unique normal form and (iii) grammar-based decoding to ensure the syntactic correctness of the output. This approach allows us to train a compact 59M-parameter model in just 6 hours on a single GPU that outperforms billion-parameter baselines. Transcoda achieves the best score among state of the art baselines on a newly curated benchmark of synthetically rendered scores at 18.46% OMR-NED (compared to 43.91% for the next-best system, Legato) and reduces the error rate on historical Polish scans to 63.97% OMR-NED (down from 80.16% for SMT++).
Authors: Daniel Mitropolsky, Susan S. Hong, Riccardo Neumarker, Emanuele Rimoldi, Tomaso Poggio
Abstract: We introduce the Generalized Turing Test (GTT), a formal framework for comparing the capabilities of arbitrary agents via indistinguishability. For agents A and B, we define the Turing comparator A $\geq$ B to hold if B, acting as a distinguisher, cannot reliably distinguish between interactions with A (instructed to imitate B) and another instance of B. This yields a dataset- and task-agnostic notion of relative intelligence. We study the comparator's structure, including conditions under which it is transitive and therefore induces an ordering over equivalence classes, and we define and analyze variants with querying, bounded interaction, and fixed distinguishers. To complement the theory, we instantiate the framework on a collection of modern models, empirically evaluating pairwise indistinguishability across thousands of trials. The resulting comparisons exhibit a stratified structure consistent with existing rankings, hinting that the proposed framework yields meaningful empirical orderings. Our results position indistinguishability as a unifying lens for reasoning about intelligence, suggesting a foundation for evaluation and, potentially, training objectives that are inherently independent of fixed datasets or benchmarks.
Authors: Wei Chow, Linfeng Li, Xian Sun, Lingdong Kong, Zefeng Li, Qi Xu, Hang Song, Tian Ye, Xian Wang, Jinbin Bai, Shilin Xu, Xiangtai Li, Junting Pan, Shaoteng Liu, Ran Zhou, Tianshu Yang, Songhua Liu
Abstract: Diffusion models dominate image editing, yet their global denoising mechanism entangles edited regions with surrounding context, causing modifications to propagate into areas that should remain intact. We propose a fundamentally different approach by leveraging Masked Generative Transformers (MGTs), whose localized token-prediction paradigm naturally confines changes to intended regions. We present EditMGT, an MGT-based editing framework that is the first of its kind. Our approach employs multi-layer attention consolidation to aggregate cross-attention maps into precise edit localization signals, and region-hold sampling to explicitly prevent token flipping in non-target areas. To support training, we construct CrispEdit-2M, a 2M-sample high-resolution (>1024) editing dataset spanning seven categories. With only 960M parameters, EditMGT achieves state-of-the-art image similarity on multiple benchmarks while delivering 6x faster editing, demonstrating that MGTs offer a compelling alternative to diffusion-based editing.
Authors: Ishpuneet Singh, Gursmeep Kaur, Uday Pratap Singh Atwal, Guramrit Singh, Gurjot Singh, Maninder Singh
Abstract: Continuous authentication in high-stakes digital environments requires datasets with fine-grained behavioral signals under realistic cognitive and motor demands. But current benchmarks are often limited by small scale, unimodal sensing or lack of synchronised environmental context. To address this gap, this paper introduces BEACON ( Behavioral Engine for Authentication \& Continuous Monitoring), a large-scale multimodal dataset that captures diverse skill tiers in competitive \textit{Valorant} gameplay. BEACON contains approximately 430 GB of synchronised modality data (461 GB total on-disk including auxiliary \textit{Valorant} configuration captures) from 79 sessions across 28 distinct players, estimated at 102.51 hours of active gameplay, including high-frequency mouse dynamics, keystroke events, network packet captures, screen recordings, hardware metadata, and in-game configuration context. BEACON leverages the high precision motor skills and high cognitive load that are inherent to tactical shooters, making it a rigorous stress test for the robustness of behavioral biometrics. The dataset allows for the study of continuous authentication, behavioral profiling, user drift and multimodal representation learning in a high-fidelity esports setting. The authors release the dataset and code on Hugging Face and GitHub to create a reproducible benchmark for evaluating next-generation behavioral fingerprinting and security models
Authors: Timothy Oladunni, Farouk Ganiyu Adewumi
Abstract: This work proposes Attractor-Vascular Coupling Theory (AVCT), a mathematical framework showing that cardiac attractor geometry encodes blood pressure (BP) information sufficient for AAMI-standard estimation, and validates the theory through a calibrated cuffless BP model using photoplethysmography (PPG). AVCT is grounded in Cardiac Stability Theory and operationalized using Takens delay embedding and attractor morphology extraction. Two theorems, one proposition, and one corollary formally justify the use of PPG attractor features for BP estimation and predict the feature-importance hierarchy. A LightGBM model trained on pulse transit time (PTT) and Cardiac Stability Index (CSI) attractor features under single-point calibration was evaluated using strict leave-one-subject-out cross-validation (LOSO-CV) on 46 subjects from BIDMC ICU (n = 9) and VitalDB surgical data (n = 37), comprising 29,684 windows. The model achieved systolic BP (SBP) mean absolute error (MAE) of 2.05 mmHg and diastolic BP (DBP) MAE of 1.67 mmHg, with correlations r = 0.990 and r = 0.991, satisfying the AAMI/IEEE SP10 requirement of MAE below 5 mmHg. Median per-subject MAE was 1.87/1.54 mmHg, and 70%/76% of subjects individually satisfied AAMI criteria. A PPG-only ablation using nine smartphone attractor features matched the ECG+PPG model within 0.05 mmHg, demonstrating that clinical-grade BP tracking is achievable using only a smartphone camera while surpassing prior generalized LOSO-CV results using fewer sensors. All four AVCT predictions were quantitatively confirmed, with 91.5% error reduction from uncalibrated to calibrated estimation (epsilon_cal = 0.915). Unlike post-hoc explainable AI methods, AVCT predicts features satisfying the architectural faithfulness criterion of the Explainable-AI Trustworthiness (EAT) framework and grounding BP estimation in nonlinear dynamical systems theory.
Authors: Gaotang Li, Bhavana Dalvi Mishra, Zifeng Wang, Jun Yan, Yanfei Chen, Chun-Liang Li, Long T. Le, Rujun Han, George Lee, Hanghang Tong, Chen-Yu Lee, Tomas Pfister
Abstract: Training deep research agents, namely systems that plan, search, evaluate evidence, and synthesize long-form reports, pushes reinforcement learning beyond the regime of verifiable rewards. Their outputs lack ground-truth answers, their trajectories span many tool-augmented decisions, and standard post-training offers little mechanism for turning past attempts into reusable experience. In this work, we argue that rubrics should serve not merely as final-answer evaluators, but as the shared interface that structures policy execution, judge feedback, and agent memory. Based on this view, we introduce RubricEM, a rubric-guided reinforcement learning framework that combines stagewise policy decomposition with reflection-based meta-policy evolution. RubricEM first makes research trajectories stage-aware by conditioning planning, evidence gathering, review, and synthesis on self-generated rubrics. It then assigns credit with Stage-Structured GRPO, which uses stagewise rubric judgments to provide denser semantic feedback for long-horizon optimization. In parallel, RubricEM trains a shared-backbone reflection meta-policy that distills judged trajectories into reusable rubric-grounded guidance for future attempts. The resulting RubricEM-8B achieves strong performance across four long-form research benchmarks, outperforming comparable open models and approaching proprietary deep-research systems. Beyond final performance, we perform thorough analyses to understand the key ingredients of RubricEM.
Authors: Richie Yeung, Aleks Kissinger, Rob Cornish
Abstract: We consider the problem of synthesizing Clifford quantum circuits for devices with all-to-all qubit connectivity. We approach this task as a reinforcement learning problem in which an agent learns to discover a sequence of elementary Clifford gates that reduces a given symplectic matrix representation of a Clifford circuit to the identity. This formulation permits a simple learning curriculum based on random walks from the identity. We introduce a novel neural network architecture that is equivariant to qubit relabelings of the symplectic matrix representation, and which is size-agnostic, allowing a single learned policy to be applied across different qubit counts without circuit splicing or network reparameterization. On six-qubit Clifford circuits, the largest regime for which optimal references are available, our agent finds circuits within one two-qubit gate of optimality in milliseconds per instance, and finds optimal circuits in 99.2% of instances within seconds per instance. After continued training on ten-qubit instances, the agent scales to unseen Clifford tableaus with up to thirty qubits, including targets generated from circuits with over a thousand Clifford gates, where it achieves lower average two-qubit gate counts than Qiskit's Aaronson-Gottesman and greedy Clifford synthesizers.
Authors: Albert Alcalde, Leon Bungert, Konstantin Riedl, Tim Roith
Abstract: Transformers with self-attention modules as their core components have become an integral architecture in modern large language and foundation models. In this paper, we study the evolution of tokens in deep encoder-only transformers at inference time which is described in the large-token limit by a mean-field continuity equation. Leveraging ideas from the convergence analysis of interacting multi-particle systems, with particles corresponding to tokens, we prove that the token distribution rapidly concentrates onto the push-forward of the initial distribution under a projection map induced by the key, query, and value matrices, and remains metastable for moderate times. Specifically, we show that the Wasserstein distance of the two distributions scales like $\sqrt{{\log(\beta+1)}/{\beta}}\exp(Ct)+\exp(-ct)$ in terms of the temperature parameter $\beta^{-1}\to 0$ and inference time $t\geq 0$. For the proof, we establish Lyapunov-type estimates for the zero-temperature equation, identify its limit as $t\to\infty$, and employ a stability estimate in Wasserstein space together with a quantitative Laplace principle to couple the two equations. Our result implies that for time scales of order $\log\beta$ the token distribution concentrates at the identified limiting distribution. Numerical experiments confirm this and, beyond that, complement our theory by showing that for finite $\beta$ and large $t$ the dynamics enter a different terminal phase, dominated by the spectrum of the value matrix.
Authors: Keya Hu, Linlu Qiu, Yiyang Lu, Hanhong Zhao, Tianhong Li, Yoon Kim, Jacob Andreas, Kaiming He
Abstract: Diffusion and flow-based models have become the de facto approaches for generating continuous data, e.g., in domains such as images and videos. Their success has attracted growing interest in applying them to language modeling. Unlike their image-domain counterparts, today's leading diffusion language models (DLMs) primarily operate over discrete tokens. In this paper, we show that continuous DLMs can be made effective with minimal adaptation to the discrete domain. We propose Embedded Language Flows (ELF), a class of diffusion models in continuous embedding space based on continuous-time Flow Matching. Unlike existing DLMs, ELF predominantly stays within the continuous embedding space until the final time step, where it maps to discrete tokens using a shared-weight network. This formulation makes it straightforward to adapt established techniques from image-domain diffusion models, e.g., classifier-free guidance (CFG). Experiments show that ELF substantially outperforms leading discrete and continuous DLMs, achieving better generation quality with fewer sampling steps. These results suggest that ELF offers a promising path toward effective continuous DLMs.
Authors: Jane Downer, Ren Wang, Binghui Wang
Abstract: Graph Neural Networks (GNNs) have gained popularity in numerous domains, yet they are vulnerable to backdoor attacks that can compromise their performance and ethical application. The detection of these attacks is crucial for maintaining the reliability and security of GNN classification tasks, but existing methods are often inflexible, relying on single metrics that fail to capture the full range of backdoor behaviors. Recognizing the challenge in detecting such intrusions, we devised a novel detection method that creatively leverages graph-level explanations. By extracting and transforming secondary outputs from GNN explanation mechanisms, we developed seven innovative metrics for effective detection of backdoor attacks on GNNs. Additionally, we develop an adaptive attack to rigorously evaluate our approach. We test our method on multiple benchmark datasets and examine its efficacy against various attack models. Our results show that our method can achieve high detection performance, marking a significant advancement in safeguarding GNNs against backdoor attacks.
Authors: Yuxiang Zheng, Zhongyi Han, Yilong Yin
Abstract: Noisy labels severely hinder the accuracy and generalization of machine learning models, especially when ambiguous instance features make reliable annotation difficult. Existing approaches, including transition-matrix-based label correction, struggle to capture complex relationships between instances and noisy labels, limiting their effectiveness in such settings. We present EchoAlign, a framework that bridges generative and discriminative learning under noisy labels. Instead of correcting labels, EchoAlign treats noisy labels as supervision targets and modifies the corresponding instances to align with them. The framework has two components: EchoMod uses controllable generative models to adjust instance features while preserving key instance-level structural cues, such as shape and edges, and avoiding excessive distortion; EchoSelect mitigates distribution shifts by retaining a reliable subset of original instances, guided by feature similarity between original and modified samples. This generative-discriminative interplay enables robust learning in highly noisy settings. Experiments on three benchmark datasets show that EchoAlign outperforms state-of-the-art methods in most evaluated settings. Under 30% instance-dependent noise, EchoSelect retains nearly twice as many correctly labeled samples as competing approaches while maintaining 99% selection accuracy, demonstrating the robustness and effectiveness of EchoAlign.
Authors: Oleksii Furman, Patryk Wielopolski, {\L}ukasz Lenkiewicz, Jerzy Stefanowski, Maciej Zi\k{e}ba
Abstract: The growing complexity of AI systems has intensified the need for transparency through Explainable AI (XAI). Counterfactual explanations (CFs) offer actionable "what-if" scenarios on three levels: Local CFs providing instance-specific insights, Global CFs addressing broader trends, and Group-wise CFs (GWCFs) striking a balance and revealing patterns within cohesive groups. Despite the availability of methods for each granularity level, the field lacks a unified method that integrates these complementary approaches. We address this limitation by proposing a gradient-based optimization method for differentiable models that generates Local, Global, and Group-wise Counterfactual Explanations in a unified manner. We especially enhance GWCF generation by combining instance grouping and counterfactual generation into a single efficient process, replacing traditional two-step methods. Moreover, to ensure trustworthiness, we innovatively introduce the integration of plausibility criteria into the GWCF domain, making explanations both valid and realistic. Our results demonstrate the method's effectiveness in balancing validity, proximity, and plausibility while optimizing group granularity, with practical utility validated through practical use cases.
Authors: Daniel Daza, Cuong Xuan Chu, Trung-Kien Tran, Daria Stepanova, Michael Cochez, Paul Groth
Abstract: Similarity search is a fundamental task for exploiting information in various applications dealing with graph data, such as citation networks or knowledge graphs. While this task has been intensively approached from heuristics to graph embeddings and graph neural networks (GNNs), providing explanations for similarity has received less attention. In this work we are concerned with explainable similarity search over graphs, by investigating how GNN-based methods for computing node similarities can be augmented with explanations. Specifically, we evaluate the performance of two prominent approaches towards explanations in GNNs, based on the concepts of mutual information (MI), and gradient-based explanations (GB). We discuss their suitability and empirically validate the properties of their explanations over different popular graph benchmarks. We find that unlike MI explanations, gradient-based explanations have three desirable properties. First, they are actionable: selecting inputs depending on them results in predictable changes in similarity scores. Second, they are consistent: the effect of selecting certain inputs overlaps very little with the effect of discarding them. Third, they can be pruned significantly to obtain sparse explanations that retain the effect on similarity scores.
Authors: Laiqiao Qin, Tianqing Zhu, Linlin Wang, Wanlei Zhou
Abstract: Machine unlearning is an emerging technology that removes a subset of the training data from a trained model without significantly affecting the model performance on the remaining data. This topic is becoming increasingly important in protecting user privacy and eliminating harmful or outdated data. The key challenge lies in effectively and efficiently unlearning specific information without compromising the model's utility on the retained data. For pre-trained models, fine-tuning is an important way to achieve the unlearning target. Previous work typically fine-tuned the entire model's parameters, which incurred significant computational costs. In addition, the fine-tuning process may cause shifts in the intermediate layer features, affecting the model's overall utility. In this work, we propose a novel and efficient machine unlearning method for pre-trained models. We term the method Residual Feature Alignment Unlearning. Specifically, we leverage LoRA (Low-Rank Adaptation) to decompose the model's intermediate features into pre-trained features and residual features. By adjusting the residual features, we align the unlearned model with the pre-trained model at the intermediate feature level to achieve both unlearning and remaining targets. The method aims to learn zero residuals on the retained set and shifted residuals on the unlearning set. Extensive experiments on numerous datasets validate the effectiveness of our approach.
Authors: Fanpu Cao, Shu Yang, Zhengjian Chen, Ye Liu, Laizhong Cui
Abstract: Transformer-based models have achieved remarkable success in multivariate time series forecasting (MTSF) by capturing long-range dependencies. However, their widespread adoption is hindered by the quadratic computational complexity of self-attention, which limits scalability on high-dimensional sequences. To address this challenge, we propose the Inverted Seasonal-Trend Decomposition Transformer (Ister), a novel architecture that enhances both predictive accuracy and computational efficiency. Central to Ister is Dot-attention, a linear-complexity attention mechanism that replaces conventional multi-head self-attention with element-wise dot-product operations to model inter-series dependencies. Furthermore, we introduce an inverted seasonal-trend decomposition strategy that isolates periodic components, enabling the model to focus learning on periodic patterns, thereby improving the performance of channel alignment. Extensive experiments across several real-world benchmarks demonstrate that Ister consistently achieves state-of-the-art performance. Code is available at https://github.com/macovaseas/Ister.
Authors: Yong Liu, Guo Qin, Zhiyuan Shi, Zhi Chen, Caiyin Yang, Xiangdong Huang, Jianmin Wang, Mingsheng Long
Abstract: We introduce Sundial, a family of native, flexible, and scalable time series foundation models. To predict the next-patch's distribution, we propose a TimeFlow Loss based on flow-matching, which facilitates native pre-training of Transformers on continuous-valued time series without discrete tokenization. Conditioned on arbitrary-length time series, our models are pre-trained without specifying any prior distribution and can generate multiple probable predictions, achieving more flexibility in representation learning than using parametric densities. Towards time series foundation models, we leverage minimal but crucial adaptations of Transformers and curate TimeBench with one trillion time points, comprising mostly real-world datasets and synthetic data. By mitigating mode collapse via TimeFlow Loss, we pre-train a family of Sundial models on TimeBench, which achieve unprecedented model capacity and generalization performance. In addition to excellent scalability, Sundial achieves state-of-the-art results on both point and probabilistic forecasting benchmarks with a just-in-time inference speed, i.e., making zero-shot predictions within a few milliseconds. We believe that Sundial's pioneering generative forecasting capability can improve model reliability in real-world decision-making. Code is available at: https://github.com/thuml/Sundial.
Authors: Alexey Gorbatovski, Boris Shaposhnikov, Viacheslav Sinii, Alexey Malakhov, Daniil Gavrilov
Abstract: Direct Alignment Algorithms (DAAs) simplify LLM alignment by directly optimizing policies, bypassing reward modeling and RL. While DAAs differ in their use of SFT (one-stage vs. two-stage) and the scalar score they optimize (likelihood vs. odds ratios), the key performance drivers remain underexplored. We present a systematic comparison and analyze a previously overlooked axis - the ranking objective (pairwise vs. pointwise). To isolate this factor, we propose a unified training framework across DAAs by (i) converting one-stage methods (ORPO, ASFT) into a two-stage pipeline with an explicit SFT phase and (ii) introducing a $\beta$ parameter that places all methods in the same hyperparameter space and improves the quality of odds-ratio DAAs (ORPO, ASFT). Under this setup, the ranking objective emerges as the primary determinant of alignment quality, whereas the particular scalar score (policy-reference ratio vs. odds ratio) is secondary. We corroborate this on instruction-following tasks and further confirm it on math-reasoning benchmarks across model scales. Evidence suggests that this stems from how these objectives interact with prompt-specific biases, supported both by strictly controlled experiments and by observations on real data. Our findings underscore the need for nuanced evaluations in DAA research to avoid oversimplified claims of superiority.
Authors: Di Wu, Ling Liang, Haizhao Yang
Abstract: Optimal transport (OT) is a widely used tool in machine learning, but computing high-accuracy solutions for large instances remains costly. Entropic regularization and the Sinkhorn algorithm improve scalability; however, when the regularization parameter is small, Sinkhorn convergence slows, and the iterates approach an entropic solution that remains separated from the true OT plan by an entropic-bias plateau. We introduce PINS (Proximal Iterations with sparse Newton and Sinkhorn), a two-loop solver designed to move beyond this plateau. The outer loop applies an entropic proximal-point method, solving the original OT problem through a sequence of entropic subproblems with shifted cost matrices. Each inner subproblem is then solved by a Sinkhorn warm-up followed by sparse-Newton refinement. We prove that PINS converges globally to an optimal solution of the unregularized OT problem and that the inner Hessian admits a sparsification at every outer iteration with a structure independent of the cost matrix. On synthetic and augmented-MNIST instances, PINS achieves much lower relative cost errors than Sinkhorn-type baselines, which stall at the entropic-bias plateau, and is $5$--$73\times$ faster than Sinkhorn with the same outer loop at matched accuracy. On large-scale DOTmark instances, a streaming implementation reduces peak memory by $24$--$54\%$ compared with the network-simplex linear programming (LP) solver and remains feasible under per-process memory budgets for which the LP solver fails.
Authors: Jingyun Wang, Cilin Yan, Guoliang Kang
Abstract: Recent works modify CLIP to perform open-vocabulary semantic segmentation in a training-free manner (TF-OVSS). In vanilla CLIP, patch-wise image representations mainly encode homogeneous image-level properties, which hinders the application of CLIP to the dense prediction task. Previous TF-OVSS works sacrifice globality to enhance the locality of CLIP features, by making each patch mainly attend to itself or its neighboring patches within a narrow local window. With their modifications,the ability of CLIP to aggregate global context information is largely weakened. Differently, in this paper, we rethink the global knowledge encoded by CLIP and propose GCLIP to answer how to extract and utilize beneficial global knowledge of CLIP for TF-OVSS. As the representation of each patch is finally determined by the attention weights and the Value embeddings, we propose to reshape the last-block attention and Value embeddings to aggregate useful global context into final features. Firstly, we aim to equip the last-block attention with image-level properties while not introducing homogeneous attention patterns across patches. To realize the goal, we fuse the attention from the global-token emerging blocks with the Query-Query attention. Secondly, we aim to make Value embeddings of the last-block attention module more semantically correlated. To realize this, we design a novel channel suppression strategy.Extensive experiments on five standard benchmarks demonstrate that our method consistently outperforms previous state-of-the-arts.
Authors: Yaomengxi Han, Debarghya Ghoshdastidar
Abstract: Learning sparse parity functions has become a theoretical testbed for studying feature learning in neural networks. However, existing analyses primarily focus on Feed-Forward Neural Networks (FFNNs). Meanwhile, theoretical understanding of Transformers in this setting remains limited, despite their empirical success and structural suitability for discovering sparse support over long sequences. To address this gap, we analyze how a single-layer, two-head Transformer learns the sparse XOR problem. Considering samples $(\mathbf{x}, y) \in \lbrace\pm 1\rbrace^d \times \lbrace\pm 1\rbrace$, where the label is defined by $y = -x_{i^*} x_{j^*}$ for some unknown $i^*, j^* \in [d]$, we prove that, with only $O(\mathrm{polylog}(d))$ trainable parameters, Transformers can successfully discover the relevant features and drive the loss for every input to nearly 0 with one gradient step. This result establishes that Transformers break the fundamental $\Omega(d)$ parameter bottleneck inherent to FFNNs for this problem. Furthermore, we empirically show that this rapid feature discovery is uniquely driven by the exact softmax attention, outperforming common substitutes such as linear or component-wise attention. Finally, we provide a theoretical sample complexity bound for learning from finite data, demonstrating the generalization ability of Transformers in this task.
Authors: Lior Cohen, Kaixin Wang, Bingyi Kang, Uri Gadot, Shie Mannor
Abstract: World models (WMs) represent the frontier of sample-efficient reinforcement learning, but their complexity leaves many promising improvements unrealized due to the significant expertise and effort required to identify and integrate them. Inspired by Rainbow, which showed that individually known improvements to DQN complement each other and can be effectively combined, we take on this challenge and ask whether the same principle applies to world model agents. We introduce Simulus, a modular token-based WM agent that integrates: (1) a flexible tokenization framework supporting arbitrary combinations of observation and action modalities; (2) intrinsic motivation for epistemic uncertainty reduction; (3) prioritized world model replay; and (4) regression-as-classification for reward and return prediction. Simulus achieves state-of-the-art sample efficiency for planning-free WMs across three diverse benchmarks: visual Atari 100K, continuous-control DMC Proprioception 500K, and symbolic Craftax-1M. Notably, intrinsic motivation proves beneficial even under the tight interaction budgets of sample-efficient RL, despite the risk of wasting scarce interactions on task-irrelevant experience. Ablation studies reveal that each component contributes individually, and their combination yields synergistic gains. Our code and model weights are publicly available at https://github.com/leor-c/Simulus.
Authors: Hans Hao-Hsun Hsu, Shikun Liu, Han Zhao, Pan Li
Abstract: Graph-based learning excels at capturing interaction patterns in diverse domains like recommendation, fraud detection, and particle physics. However, its performance often degrades under distribution shifts, especially those altering network connectivity. Current methods to address these shifts typically require retraining with the source dataset, which is often infeasible due to computational or privacy limitations. We introduce Test-Time Structural Alignment (TSA), a novel algorithm for Graph Test-Time Adaptation (GTTA) that adapts a pretrained model to align graph structures during inference without the cost of retraining. Grounded in a theoretical understanding of graph data distribution shifts, TSA employs three synergistic strategies: uncertainty-aware neighborhood weighting to accommodate neighbor label distribution shifts, adaptive balancing of self-node and aggregated neighborhood representations based on their signal-to-noise ratio, and decision boundary refinement to correct residual label and feature shifts. Extensive experiments on synthetic and real-world datasets demonstrate TSA's consistent outperformance of both non-graph TTA methods and state-of-the-art GTTA baselines.
Authors: Loukas Ilias, Dimitris Askounis
Abstract: Depression is a mental disorder and can cause a variety of symptoms, including psychological, physical, and social. Speech has been proved an objective marker for the early recognition of depression. For this reason, many studies have been developed aiming to recognize depression through speech. However, existing methods rely on the usage of only the spontaneous speech neglecting information obtained via read speech, use transcripts which are often difficult to obtain (manual) or come with high word-error rates (automatic), and do not focus on input-conditional computation methods. To resolve these limitations, this is the first study in depression recognition task obtaining representations of both spontaneous and read speech, utilizing multimodal fusion methods, and employing Mixture of Experts (MoE) models in a single deep neural network. Specifically, we use audio files corresponding to both interview and reading tasks and convert each audio file into log-Mel spectrogram, delta, and delta-delta. Next, the image representations of the two tasks pass through shared AlexNet models. The outputs of the AlexNet models are given as input to a multimodal fusion method. The resulting vector is passed through a MoE module. In this study, we employ three variants of MoE, namely sparsely-gated MoE and multilinear MoE based on factorization. Findings suggest that our proposed approach yields an Accuracy and F1-score of 87.00% and 86.66% respectively on the Androids corpus.
Authors: Shwai He, Weilin Cai, Jiayi Huang, Ang Li
Abstract: The Mixture of Experts (MoE) is an effective architecture for scaling large language models by leveraging sparse expert activation to balance performance and efficiency. However, under expert parallelism, MoE suffers from inference inefficiencies due to imbalanced token-to-expert assignment, where underloaded experts complete computations early but must wait for overloaded experts, leading to global delays. We define this phenomenon as the \textbf{\textit{Straggler Effect}}, as the most burdened experts dictate the overall inference latency. To address this, we first propose \textit{\textbf{Capacity-Aware Token Drop}}, which enforces expert capacity limits by discarding excess tokens from overloaded experts, effectively reducing load imbalance with minimal performance impact (e.g., $30\%$ speedup with only $0.9\%$ degradation on OLMoE). Next, given the presence of low-load experts remaining well below the capacity threshold, we introduce \textit{\textbf{Capacity-Aware Expanded Drop}}, which allows tokens to include additional local experts in their candidate set before enforcing strict local capacity constraints, thereby improving load balance and enhancing the utilization of underused experts. Extensive experiments on both language and multimodal MoE models demonstrate the effectiveness of our approach, yielding substantial gains in expert utilization, model performance, and inference efficiency, e.g., applying Expanded Drop to Mixtral-8$\times$7B-Instruct yields a {0.2\%} average performance improvement and a {1.85$\times$} inference speedup. The code is released at: https://github.com/CASE-Lab-UMD/Capacity-Aware-MoE.
Authors: Nikhil Abhyankar, Parshin Shojaee, Chandan K. Reddy
Abstract: Automated feature engineering plays a critical role in improving predictive model performance for tabular learning tasks. Traditional automated feature engineering methods are limited by their reliance on pre-defined transformations within fixed, manually designed search spaces, often neglecting domain knowledge. Recent advances using Large Language Models (LLMs) have enabled the integration of domain knowledge into the feature engineering process. However, existing LLM-based approaches use direct prompting or rely solely on validation scores for feature selection, failing to leverage insights from prior feature discovery experiments or establish meaningful reasoning between feature generation and data-driven performance. To address these challenges, we propose LLM-FE, a novel framework that combines evolutionary search with the domain knowledge and reasoning capabilities of LLMs to automatically discover effective features for tabular learning tasks. LLM-FE formulates feature engineering as a program search problem, where LLMs propose new feature transformation programs iteratively, and data-driven feedback guides the search process. Our results demonstrate that LLM-FE consistently outperforms state-of-the-art baselines, significantly enhancing the performance of tabular prediction models across diverse classification and regression benchmarks. The code is available at: https://github.com/nikhilsab/LLMFE
Authors: Raza Ul Mustafa, Roi Dupart, Gabrielle Smith, Noman Ashraf, Nathalie Japkowicz
Abstract: In recent years, Islamophobia has gained significant traction across Western societies, fueled by the rise of digital communication networks. This paper performs a large-scale analysis of specialized, semi-coded Islamophobic terms such as (muzrat, pislam, mudslime, mohammedan, muzzies) floated on extremist social platforms, i.e., 4Chan, Gab, Telegram, etc. Many of these terms appear lexically neutral or ambiguous outside of specific contexts, making them difficult for both human moderators and automated systems to reliably identify as hate speech. First, we use Large Language Models (LLMs) to show their ability to understand these terms. Second, Google Perspective API suggests that Islamophobic posts tend to receive higher toxicity scores than other categories of hate speech like Antisemitism. Finally, we use BERT topic modeling approach to extract different topics and Islamophobic discourse on these social platforms. Our findings indicate that LLMs understand these Out-Of-Vocabulary (OOV) slurs; however, further improvements in moderation strategies and algorithmic detection are necessary to address such discourse effectively. Our topic modeling also indicates that Islamophobic text is found across various political, conspiratorial, and far-right movements and is particularly directed against Muslim immigrants. Taken altogether, we performed one of the first studies on Islamophobic semi-coded terms and shed a global light on Islamophobia.
Authors: Zihao Zhang, Xunkai Li, Rong-Hua Li, Zhenjun Li, Bing Zhou, Guoren Wang
Abstract: Recent advancements in Large Language Models (LLMs) and the proliferation of Text-Attributed Graphs (TAGs) across various domains have positioned LLM-enhanced TAG learning as a critical research area. By utilizing rich graph descriptions, this paradigm leverages LLMs to generate high-quality embeddings, thereby enhancing the representational capacity of Graph Neural Networks (GNNs). However, the field faces significant challenges: (1) the absence of a unified framework to systematize the diverse optimization perspectives arising from the complex interactions between LLMs and GNNs, and (2) the lack of a robust method capable of handling real-world TAGs, which often suffer from texts and edge sparsity, leading to suboptimal performance. To address these challenges, we propose UltraTAG, a unified pipeline for LLM-enhanced TAG learning. UltraTAG provides a unified comprehensive and domain-adaptive framework that not only organizes existing methodologies but also paves the way for future advancements in the field. Building on this framework, we propose UltraTAG-S, a robust instantiation of UltraTAG designed to tackle the inherent sparsity issues in real-world TAGs. UltraTAG-S employs LLM-based text propagation and text augmentation to mitigate text sparsity, while leveraging LLM-augmented node selection techniques based on PageRank and edge reconfiguration strategies to address edge sparsity. Our extensive experiments demonstrate that UltraTAG-S significantly outperforms existing baselines, achieving improvements of 2.12\% and 17.47\% in ideal and sparse settings, respectively. Moreover, as the data sparsity ratio increases, the performance improvement of UltraTAG-S also rises, which underscores the effectiveness and robustness of UltraTAG-S.
Authors: Ming Li, Yanhong Li, Ziyue Li, Tianyi Zhou
Abstract: As the post-training of large language models (LLMs) advances from instruction-following to complex reasoning tasks, understanding how different data affect finetuning dynamics remains largely unexplored. In this paper, we present a spectral analysis of layer-wise gradients induced by low/high-quality instruction and reasoning data for LLM post-training. Our analysis reveals that widely-studied metrics for data evaluation, e.g., IFD, InsTag, Difficulty, and Reward, can be explained and unified by spectral properties computed from gradients' singular value decomposition (SVD). Specifically, higher-quality data are usually associated with lower nuclear norms and higher effective ranks. Notably, effective rank exhibits better robustness and resolution than nuclear norm in capturing subtle quality differences. For example, reasoning data achieves substantially higher effective ranks than instruction data, implying richer gradient structures on more complex tasks. Our experiments also highlight that models within the same family share similar gradient patterns regardless of their sizes, whereas different model families diverge significantly. Providing a unified view on the effects of data quality across instruction and reasoning data, this work illuminates the interplay between data quality and training stability, shedding novel insights into developing better data exploration strategies for post-training.
Authors: Shi Chen, Zhengjiang Lin, Yury Polyanskiy, Philippe Rigollet
Abstract: The evolution of tokens through deep transformer models can be modeled as an interacting particle system that has been shown to exhibit an asymptotic clustering behavior akin to the synchronization phenomenon in Kuramoto models. In this work, we investigate the long-time clustering of mean-field transformer models. More precisely, under suitable assumptions on the transformer model parameters, we establish that any suitably regular mean-field initialization synchronizes exponentially fast to a Dirac point mass, with explicit quantitative convergence rates.
Authors: Rushabh Solanki, Meghana Bhange, Ulrich A\"ivodji, Elliot Creager
Abstract: The integration of AI into daily life has generated considerable attention and excitement, while also raising concerns about automating algorithmic harms and re-entrenching existing social inequities. While the responsible deployment of trustworthy AI systems is a worthy goal, there are many possible ways to realize it, from policy and regulation to improved algorithm design and evaluation. In fact, since AI trains on social data, there is even a possibility for everyday users, citizens, or workers to directly steer the AI system's behavior through Algorithmic Collective Action, by deliberately modifying the data they share with a platform to drive its learning process in their favor. This paper considers how these grassroots efforts to influence AI interact with methods used by AI firms and governments to improve model trustworthiness. In particular, we focus on the setting where the AI firm deploys a differentially private model, motivated by the growing regulatory focus on privacy and data protection. We investigate how the use of Differentially Private Stochastic Gradient Descent (DP-SGD) affects the collective's ability to influence the learning process. Our findings show that while differential privacy protects individual data, it introduces challenges for effective algorithmic collective action. We establish this trade-off formally by characterizing lower bounds on the success of algorithmic collective action under differential privacy as a function of the collective's size and the firm's privacy parameters. We then verify these trends experimentally by simulating collective action during the training of deep neural network classifiers across several datasets. Finally, we perform a stylized economic analysis of privacy costs to integrate additional incentives, analyzing how utility and participation costs influence the formation of collectives under private training regimes.
Authors: Xi He, Yi Miao, Max A. Little
Abstract: This paper introduces the first globally optimal algorithm for the empirical risk minimization problem of two-layer maxout and ReLU networks, i.e., minimizing the number of misclassifications. The algorithm has a worst-case time complexity of $O\left(N^{DK+1}\right)$, where $K$ denotes the number of hidden neurons and $D$ represents the number of features. It can be can be generalized to accommodate arbitrary computable loss functions without affecting its computational complexity. Our experiments demonstrate that the proposed algorithm provides provably exact solutions for small-scale datasets. To handle larger datasets, we introduce a novel coreset selection method that reduces the data size to a manageable scale, making it feasible for our algorithm. This extension enables efficient processing of large-scale datasets and achieves significantly improved performance, with a 20-30\% reduction in misclassifications for both training and prediction, compared to state-of-the-art approaches (neural networks trained using gradient descent and support vector machines), when applied to the same models (two-layer networks with fixed hidden nodes and linear models). The artifacts of the Deep-ICE algorithm can be found in https://github.com/XiHegrt/DeepICE-algorithm-artifacts.
URLs: https://github.com/XiHegrt/DeepICE-algorithm-artifacts.
Authors: Khai Nguyen
Abstract: Sliced optimal transport (SOT), or sliced Wasserstein (SW) distance, is widely recognized for its statistical and computational scalability. In this work, we further enhance computational scalability by proposing the first method for estimating SW from sample streams, called streaming sliced Wasserstein (Stream-SW). To define Stream-SW, we first introduce a streaming estimator of the one-dimensional Wasserstein distance (1DW). Since the 1DW has a closed-form expression, given by the integral of the absolute difference between the quantile functions of the compared distributions, we leverage quantile approximation techniques for sample streams to define a streaming 1DW estimator. By applying the streaming 1DW to all projections, we obtain Stream-SW. The key advantage of Stream-SW is its low memory complexity while providing theoretical guarantees on the approximation error. We demonstrate that Stream-SW achieves a more accurate approximation of SW than random subsampling, with lower memory consumption, when comparing Gaussian distributions and mixtures of Gaussians from streaming samples. Additionally, we conduct experiments on point cloud classification, point cloud gradient flows, and streaming change point detection to further highlight the favorable performance of the proposed Stream-SW.
Authors: Shashank Gupta, Pilhwa Lee
Abstract: Minimum attention applies the least action principle to changes of control concerning state and time, first proposed by Brockett. The involved regularization is highly relevant in emulating biological control, such as motor learning. We apply minimum attention in reinforcement learning (RL) as part of the rewards and investigate its connection to meta-learning and stabilization. Specifically, model-based meta-learning with minimum attention is explored in high-dimensional nonlinear dynamics. Ensemble-based model learning and gradient-based meta-policy learning are alternately performed. Empirically, the minimum attention does show outperforming competence in comparison to the state-of-the-art algorithms of model-free and model-based RL, i.e., fast adaptation in few shots and variance reduction from the perturbations of the model and environment. Furthermore, the minimum attention demonstrates an improvement in energy efficiency.
Authors: Xinran Gu, Kaifeng Lyu, Jiazheng Li, Jingzhao Zhang
Abstract: Large Language Models (LLMs) are typically trained on data mixtures: most data come from web scrapes, while a small portion is curated from high-quality sources with dense domain-specific knowledge. In this paper, we show that when training LLMs on such data mixtures, knowledge acquisition from knowledge-dense datasets, unlike training exclusively on knowledge-dense data (arXiv:2404.05405), does not always follow a smooth scaling law but can exhibit phase transitions with respect to the mixing ratio and model size. Through controlled experiments on a synthetic biography dataset mixed with web-scraped data, we demonstrate that: (1) as we increase the model size to a critical value, the model suddenly transitions from memorizing very few to most of the biographies; (2) below a critical mixing ratio, the model memorizes almost nothing even with extensive training, but beyond this threshold, it rapidly memorizes more biographies. We attribute these phase transitions to a capacity allocation phenomenon: a model with bounded capacity must act like a knapsack problem solver to minimize the overall test loss, and the optimal allocation across datasets can change discontinuously as the model size or mixing ratio varies. We formalize this intuition in an information-theoretic framework and reveal that these phase transitions are predictable, with the critical mixing ratio following a power-law relationship with the model size. Our findings highlight a concrete case where a good mixing recipe for large models may not be optimal for small models, and vice versa.
Authors: Quan Zhou, Mark Kozdoba, Shie Mannor
Abstract: We study the problem of selecting a subset from a large action space shared by a family of bandits. In many natural situations, while the nominal set of actions is large, actions are highly correlated: many yield similar rewards across environments, making it wasteful to maintain the full set. Our aim is to understand whether it is possible -- and how -- to select a smaller set of representative actions that performs nearly as well as the full action space. Our main contribution is a surprisingly simple algorithm: repeatedly sample a bandit instance at random, solve it, and collect the optimal action. This algorithm can significantly reduce the action space when such correlations are present, without the need to know a-priori the correlation structure. We provide theoretical guarantees on the performance of the algorithm and demonstrate its practical effectiveness through empirical comparisons with Combinatorial Bandit, Meta Learning Bandit and Zooming baselines.
Authors: Yuantu Zhu, Zheyan Li, Dai Shi, Luke Thompson, Oliver Nash, Jose Miguel Lara Rangel, Siran Li, Bingguang Chen, Rongchan Zhu, Qi Meng, Hao Ni
Abstract: Stochastic Partial Differential Equations (SPDEs) driven by random noise play a central role in modeling physical processes with rough spatio-temporal dynamics, such as turbulence flows, superconductors, and quantum dynamics. Although machine learning (ML)-based surrogate models have shown promise for efficiently approximating such dynamics, progress remains limited by the lack of a unified benchmark with controlled data generation and comprehensive evaluation. This gap is particularly significant for singular SPDEs, for which benchmark datasets are largely unavailable and reliable simulation requires numerically delicate schemes based on renormalization. Moreover, subtle differences in data-generation procedures, such as noise approximation, basis choice, and the inclusion of renormalization, can significantly affect the resulting datasets and, consequently, model evaluation. We introduce SPDEBench, the first unified benchmark for ML-based SPDE learning. SPDEBench provides ready-to-use datasets for physically and mathematically significant SPDEs on 1-3D domains with periodic or Dirichlet boundary condition. Both regular and singular SPDEs are taken into consideration. SPDEBench also incorporates representative ML baselines in operator learning, together with 7 evaluation metrics, including Sobolev and distributional metrics beyond the standard $L^2$-error. Supported by SPDEBench, we conduct systematic evaluations of model accuracy, robustness, and out-of-distribution generalization under controlled data variations. Our numerical results show that SPDE-aware architectures generally achieve stronger performance than generic operator-learning baselines. These findings establish SPDEBench as a reproducible and extensible resource, paving pathway for principled benchmarking and architecture design for stochastic spatio-temporal dynamics.
Authors: Liangwei Nathan Zheng, Wei Emma Zhang, Mingyu Guo, Olaf Maennel, Weitong Chen
Abstract: Effectively managing missing modalities is a fundamental challenge in real-world multimodal learning scenarios, where data incompleteness often results from systematic collection errors or sensor failures. Sparse Mixture-of-Experts (SMoE) architectures have the potential to naturally handle multimodal data, with individual experts specializing in different modalities. However, existing SMoE approach often lacks proper ability to handle missing modality, leading to performance degradation and poor generalization in real-world applications. We propose ConfSMoE to introduce a two-stage imputation module to handle the missing modality problem for the SMoE architecture by taking the opinion of experts and reveal the insight of expert collapse from theoretical analysis with strong empirical evidence. Inspired by our theoretical analysis, ConfSMoE propose a novel expert gating mechanism by detaching the softmax routing score to task confidence score w.r.t ground truth signal. This naturally relieves expert collapse without introducing additional load balance loss function. We show that the insights of expert collapse aligns with other gating mechanism such as Gaussian and Laplacian gate. The proposed method is evaluated on four different real world dataset with three distinct experiment settings to conduct comprehensive analysis of ConfSMoE on resistance to missing modality and the impacts of proposed gating mechanism.
Authors: Dominik Fuchsgruber, Tom Wollschl\"ager, Johannes Bordne, Stephan G\"unnemann
Abstract: While uncertainty estimation for graphs recently gained traction, most methods rely on homophily and deteriorate in heterophilic settings. We address this by analyzing message passing neural networks from an information-theoretic perspective and developing a suitable analog to data processing inequality to quantify information throughout the model's layers. In contrast to non-graph domains, information about the node-level prediction target can increase with model depth if a node's features are semantically different from its neighbors. Therefore, on heterophilic graphs, the latent embeddings of an MPNN each provide different information about the data distribution - different from homophilic settings. This reveals that considering all node representations simultaneously is a key design principle for epistemic uncertainty estimation on graphs beyond homophily. We empirically confirm this with a simple post-hoc density estimator on the joint node embedding space that provides state-of-the-art uncertainty on heterophilic graphs. At the same time, it matches prior work on homophilic graphs without explicitly exploiting homophily through post-processing.
Authors: Joschka Braun, Carsten Eickhoff, Seyed Ali Bahrainian
Abstract: Steering vectors are a lightweight method for controlling text properties by adding a learned bias to language model activations at inference time. While predominantly studied for multiple-choice and toy tasks, their effectiveness in free-form generation remains largely unexplored. Moving "Beyond Multiple Choice," we evaluate steering vectors for controlling topical focus, sentiment, toxicity, and readability in abstractive summaries across the SAMSum, NEWTS, and arXiv datasets. We find that steering effectively controls targeted properties, but high steering strengths consistently induce degenerate repetition and factual hallucinations. Prompting alone preserves summary quality but offers weaker control. Combining both methods yields the strongest control and the most favorable efficacy-quality trade-off at moderate steering strengths. Our work demonstrates that steering vectors face a critical control-quality trade-off in free-form generation, and that hybrid approaches offer the best balance in practice.
Authors: Youngmin Oh, Jinje Park, Taejin Paik, Jaemin Park
Abstract: In this paper, we address the contextual dueling bandit problem by proposing variance-aware algorithms that leverage neural networks to approximate nonlinear utility functions. Our approach employs a \textit{variance-aware exploration strategy}, which adaptively accounts for uncertainty in pairwise comparisons while relying only on the gradients with respect to the learnable parameters of the last layer. This design effectively balances the exploration--exploitation tradeoff under both the Upper Confidence Bound (UCB) and Thompson Sampling (TS) frameworks. As a result, under standard assumptions, we establish theoretical guarantees showing that our algorithms achieve sublinear cumulative average regret of order $\bigol\lt(d \sqrt{\sum_{t=1}^T \sigma_t^2} + \sqrt{dT}\rt),$ for sufficiently wide neural networks, where $ d $ is the contextual dimension, $ \sigma_t^2 $ the variance of comparisons at round $ t $, and $ T $ the total number of rounds. We also empirically validate that our approach offers reasonable computational efficiency and achieves sublinear regret on both synthetic tasks with nonlinear utilities and real-world tasks, outperforming existing methods.
Authors: Guangxin He, Yuan Cao, Yutong He, Tianyi Bai, Kai Chen, Kun Yuan, Binhang Yuan
Abstract: Decentralized training of large language models offers the opportunity to pool computational resources across geographically distributed participants, but is often bottlenecked by network communication, particularly under pipeline parallel settings. While pipeline parallelism partitions model layers across devices to handle large-scale models, it necessitates frequent communication of intermediate activations, creating challenges when network bandwidth is limited. To address these issues, we propose TAH-Quant (Tile-wise Adaptive Hadamard Quantization), a novel activation quantization framework for pipeline parallelism. TAH-Quant integrates fine-grained tile-wise quantization, entropy-guided tile-wise adaptive bit allocation for optimal bit usage, and a Hadamard-based transformation with pivot swapping to effectively suppress outliers. Compared with token-level allocation, the tile-wise allocator assigns precision at the granularity of small channel windows within each token, reducing quantization error under the same bit budget. We prove that pipeline parallel training equipped with TAH-Quant maintains a convergence rate of O(1/sqrt(T)), matching that of vanilla stochastic gradient descent. Extensive experiments demonstrate that TAH-Quant achieves an aggressive activation quantization ratio of 3-4 bits, providing up to 4.3x throughput speedup over uncompressed FP32 and up to 1.33x wall-clock speedup over AQ-SGD, while preserving training convergence, avoiding AQ-SGD's activation-cache overhead, and generalizing well across various training scenarios.
Authors: Xue Xian Zheng, Weihang Liu, Xin Lou, Stefan Vlaski, Tareq Al-Naffouri
Abstract: This paper introduces an innovative error feedback framework designed to mitigate quantization noise in distributed graph filtering, where communications are constrained to quantized messages. It comes from error spectrum shaping techniques from state-space digital filters, and therefore establishes connections between quantized filtering processes over different domains. In contrast to existing error compensation methods, our framework quantitatively feeds back the quantization noise for exact compensation. We examine the framework under three key scenarios: (i) deterministic graph filtering, (ii) graph filtering over random graphs, and (iii) graph filtering with random node-asynchronous updates. Rigorous theoretical analysis demonstrates that the proposed framework significantly reduces the effect of quantization noise, and we provide closed-form solutions for the optimal error feedback coefficients. Moreover, this quantitative error feedback mechanism can be seamlessly integrated into communication-efficient decentralized optimization frameworks, enabling lower error floors. Numerical experiments validate the theoretical results, consistently showing that our method outperforms conventional quantization strategies in terms of both accuracy and robustness.
Authors: Jesse Geerts, Andrew Liu, Stephanie Chan, Claudia Clopath, Kimberly Stachenfeld
Abstract: Transformer-based models have demonstrated remarkable reasoning abilities, but the mechanisms underlying relational reasoning remain poorly understood. We investigate how transformers perform \textit{transitive inference}, a classic relational reasoning behavior from psychology which elicits inference about indirectly related items (e.g., if $A > B$ and $B > C$, then $A > C$). We compare in-weights learning (IWL) and in-context learning (ICL) behaviors and mechanisms on these tasks, and fine profoundly different patterns of generalization. IWL models learn a linear embedding, which leads to transitive inference as well as other behavioral effects present in humans and animals. ICL models, in contrast, are capable of learning to generalize transitively, but only do so when it is necessitated by the training data, otherwise learning a match-and-copy strategy. Interestingly, pre-training ICL models on in-context linear regression tasks that provide them with a latent linear representation is sufficient to make the ICL behaviors and internal representations qualitatively and quantitatively more like IWL. In order to test whether the same inference patterns are present across in large language models, we leverage a congruency paradigm which allows us to differentially probe IWL and ICL generalization patterns without access to their training data. We indeed see IWL reasoning leads to more transitive generalization than ICL. Moreover, we find that prompting the ICL models to use a linear mental map led to increased transitive inference over different geometric prompts. Together, these results reveal that both the training regime and the geometric structure of induced representations critically determine transformers capacity for transitive inference.
Authors: Jingying Ma, Feng Wu, Qika Lin, Yucheng Xing, Chenyu Liu, Ziyu Jia, Mengling Feng
Abstract: Electroencephalography (EEG) provides real-time insights into brain activity and supports diverse applications in neuroscience. While EEG foundation models (EFMs) have emerged to address the scalability issues of task-specific models, current approaches still yield clinically uninterpretable and weakly discriminative representations, inefficiently capturing global dependencies and neglecting important local neural events. We present CodeBrain, a two-stage EFM designed to fill this gap. In the first stage, we introduce the TFDual-Tokenizer, which decouples heterogeneous temporal and frequency EEG signals into discrete tokens, quadratically expanding the representation space to enhance discriminative power and offering domain-specific representation-level interpretability by suggesting potential links to neural events and spectral rhythms. In the second stage, we propose the multi-scale EEGSSM architecture, which combines structured global convolution with sliding window attention to efficiently capture both sparse long-range and local dependencies, reflecting the brain's small-world topology. Pretrained on the largest public EEG corpus, CodeBrain achieves strong generalization across eight downstream tasks and ten datasets under distribution shifts, supported by comprehensive ablations, scaling-law analyzes, and interpretability evaluations. The code and the pretrained weights are available at https://github.com/jingyingma01/CodeBrain.
Authors: Prakhar Verma, David Arbour, Sunav Choudhary, Harshita Chopra, Arno Solin, Atanu R. Sinha
Abstract: Causal discovery from observational data typically assumes access to complete data and availability of perfect domain experts. In practice, data often arrive in batches, are subject to sampling bias, and expert knowledge is scarce. Language Models (LMs) offer a surrogate for expert knowledge but suffer from hallucinations, inconsistencies, and bias. We present a hybrid framework that bridges these gaps by adaptively integrating sequential batch data with LM-derived noisy, expert knowledge while accounting for both data-induced and LM-induced biases. We propose a representation shift from Directed Acyclic Graph (DAG) to Partial Ancestral Graph (PAG), that accommodates ambiguities within a coherent framework, allowing grounding the global LM knowledge in local observational data. To guide LM interactions, we use a sequential optimization scheme that adaptively queries the most informative edges. Across varied datasets and LMs, we outperform prior work in structural accuracy and extend to parameter estimation, showing robustness to LM noise.
Authors: Xenia Heilmann, Luca Corbucci, Mattia Cerrato, Anna Monreale
Abstract: Federated Learning (FL) enables collaborative training while preserving privacy, yet it introduces a critical challenge: the "illusion of fairness''. A global model, usually evaluated on the server, appears fair on average while keeping persistent discrimination at the client level. Current fairness-enhancing FL solutions often fall short, as they typically mitigate biases for a single, usually binary, sensitive attribute, while ignoring two realistic and conflicting scenarios: attribute-bias (where clients are unfair toward different sensitive attributes) and value-bias (where clients exhibit conflicting biases toward different values of the same attribute). To support more robust and reproducible fairness research in FL, we introduce FeDa4Fair, the first benchmarking framework designed to stress-test fairness methods under these heterogeneous conditions. Our contributions are three-fold: (1) We introduce FeDa4Fair, a library designed to create datasets tailored to evaluating fair FL methods under heterogeneous client bias; (2) we release a benchmark suite generated by the FeDa4Fair library to standardize the evaluation of fair FL methods; (3) we provide ready-to-use functions for evaluating fairness outcomes for these datasets.
Authors: Weihong Li, Baohong Li, Anpeng Wu, Zhihan Li, Ming Ma, Keting Yin, Kun Kuang
Abstract: This paper studies causal discovery in irregularly sampled time series-a key challenge in risk-sensitive domains like finance, healthcare, and climate science, where missing data and inconsistent sampling frequencies distort causal mechanisms. The main challenge comes from the interdependence between missing data imputation and causal structure recovery: errors in imputation and structure learning can reinforce each other, leading to an inaccurate causal graph. Existing methods either impute first and then discover, or jointly optimize both via neural representation learning, but lack explicit mechanisms to ensure mutual consistency of imputation and structure learning. We address this challenge with ReTimeCausal, an EM-based framework that alternates between imputation and structure learning, which encourages structural consistency throughout the optimization process. Our framework provides theoretical consistency guarantees for structure recovery and extends classical results to settings with irregular sampling and high missingness. ReTimeCausal combines kernel-based sparse regression and structural constraints in an alternating process that updates the completed data and the causal graph in turn. Experiments on synthetic and real-world datasets show that ReTimeCausal is more effective than existing methods under challenging irregular sampling and missing data.
Authors: Qiyang Li, Zhiyuan Zhou, Sergey Levine
Abstract: We present Q-chunking, a simple yet effective recipe for improving reinforcement learning (RL) algorithms for long-horizon, sparse-reward tasks. Our recipe is designed for the offline-to-online RL setting, where the goal is to leverage an offline prior dataset to maximize the sample-efficiency of online learning. Effective exploration and sample-efficient learning remain central challenges in this setting, as it is not obvious how the offline data should be utilized to acquire a good exploratory policy. Our key insight is that action chunking, a technique popularized in imitation learning where sequences of future actions are predicted rather than a single action at each timestep, can be applied to temporal difference (TD)-based RL methods to mitigate the exploration challenge. Q-chunking adopts action chunking by directly running RL in a 'chunked' action space, enabling the agent to (1) leverage temporally consistent behaviors from offline data for more effective online exploration and (2) use unbiased $n$-step backups for more stable and efficient TD learning. Our experimental results demonstrate that Q-chunking exhibits strong offline performance and online sample efficiency, outperforming prior best offline-to-online methods on a range of long-horizon, sparse-reward manipulation tasks.
Authors: Md. Emon Akter Sourov, Md. Sabbir Hossen, Pabon Shaha, Md. Moradul Siddique, Yadab Sutradhar, Md Sadiq Iqbal
Abstract: Heart disease continues to pose a critical worldwide health issue, more specifically in areas with insufficient access to healthcare infrastructure and diagnostic systems. Conventional diagnostic approaches often fall short in accurately detecting and managing heart disease risks, resulting in unfavorable outcomes. Machine learning presents a powerful means to boost the precision and reliability of cardiovascular disease prognosis and diagnosis. In this research, we introduced a unified approach incorporating classification techniques for detecting heart disease and regression techniques for forecasting associated risks. The analysis utilized the dataset, named Heart Disease, containing 1,035 instances. To mitigate the problem of data disproportion, the SMOTE was implemented, producing 100,000 additional synthetic samples. Evaluation metrics such as F1-score, recall, precision, accuracy, MAE, RMSE, MSE, and R2 were adopted to evaluate the performance of the models. Among the classification algorithms, Random Forest delivered the most notable results, attaining an accuracy of 0.972 on actual data and 0.976 on artificially generated data. For prediction modeling, for both synthetic and real samples, linear regression produced the best R2 values of 0.992 and 0.984, respectively, along with the least amount of measurement errors. Furthermore, Explainable AI methods were utilized to improve the comprehensibility of the model outcomes. This paper emphasizes the transformative capabilities of machine learning for diagnosing cardiovascular disease and estimating risk levels, thereby supporting timely interventions and enhancing clinical settings.
Authors: Tom S\"uhr, Florian E. Dorner, Olawale Salaudeen, Augustin Kelava, Samira Samadi
Abstract: Large Language Models (LLMs) have achieved remarkable results on a range of standardized tests originally designed to assess human cognitive and psychological traits, such as intelligence and personality. While these results are often interpreted as strong evidence of human-like characteristics in LLMs, this paper argues that such interpretations constitute an ontological error. Human psychological and educational tests are theory-driven measurement instruments, calibrated to a specific human population. Applying these tests to non-human subjects without empirical validation, risks mischaracterizing what is being measured. Furthermore, a growing trend frames AI performance on benchmarks as measurements of traits such as ``intelligence'', despite known issues with validity, data contamination, cultural bias and sensitivity to superficial prompt changes. We argue that interpreting benchmark performance as measurements of human-like traits, lacks sufficient theoretical and empirical justification. This leads to our position: Stop Evaluating AI with Human Tests, Develop Principled, AI-specific Tests instead. We call for the development of principled, AI-specific evaluation frameworks tailored to AI systems. Such frameworks might build on existing frameworks for constructing and validating psychometrics tests, or could be created entirely from scratch to fit the unique context of AI.
Authors: Enqiang Zhu (Guangzhou University), Zhenbin Deng (Guangzhou University), Shengzhi Wang (Dalian University of Technology), Yi-Kun Tang (Dalian University of Technology), Chanjuan Liu (Dalian University of Technology)
Abstract: In real-world applications, multimodal time-series forecasting faces a key challenge: textual information is often useful but unreliable. Auxiliary texts may contain irrelevant, ambiguous, incomplete, or structurally corrupted content, making direct text integration prone to introducing noisy semantic signals and degrading forecasting performance. Therefore, robust multimodal forecasting requires a model that can exploit useful textual context while suppressing misleading perturbations. To address this challenge, we propose PA-RNet, a carefully designed perturbation-aware residual network for robust multimodal time-series forecasting. Rather than directly fusing textual and numerical representations, PA-RNet first refines multimodal features in a perturbation-aware manner, preserving stable contextual information while reducing unstable or misleading signals. The refined textual representations are then aligned with temporal dynamics, enabling more reliable forecasting under noisy multimodal conditions. Theoretically, we prove that PA-RNet is Lipschitz continuous with respect to textual embeddings and show that the proposed spectral residual correction can reduce the expected prediction error under zero-mean textual perturbations. We further conduct supplementary experiments with injected textual perturbations to examine the robustness of PA-RNet. The results across diverse domains demonstrate that PA-RNet consistently outperforms state-of-the-art baselines and maintains stable forecasting performance under both original and noise-perturbed textual conditions.
Authors: Robert Jankowski, Filippo Radicchi, M. \'Angeles Serrano, Mari\'an Bogu\~n\'a, Santo Fortunato
Abstract: Neural networks excel across a wide range of tasks, yet remain black boxes. In particular, how their internal representations are shaped by the complexity of the input data and the problems they solve remains obscure. In this work, we introduce a suite of five data-agnostic probes-pruning, binarization, noise injection, sign flipping, and bipartite network randomization-to quantify how task difficulty influences the topology and robustness of representations in multilayer perceptrons (MLPs). MLPs are represented as signed, weighted bipartite graphs from a network science perspective. We contrast easy and hard classification tasks on the MNIST and Fashion-MNIST datasets. We show that binarizing weights in hard-task models collapses accuracy to chance, whereas easy-task models remain robust. We also find that pruning low-magnitude edges in binarized hard-task models reveals a sharp phase-transition in performance. Moreover, moderate noise injection can enhance accuracy, resembling a stochastic-resonance effect linked to optimal sign flips of small-magnitude weights. Finally, preserving only the sign structure-instead of precise weight magnitudes-through bipartite network randomizations suffices to maintain high accuracy. These phenomena define a model- and modality-agnostic measure of task complexity: the performance gap between full-precision and binarized or shuffled neural network performance. Our findings highlight the crucial role of signed bipartite topology in learned representations and suggest practical strategies for model compression and interpretability that align with task complexity.
Authors: Pietro Talli, Federico Mason, Federico Chiariotti, Andrea Zanella
Abstract: Traditional Reinforcement Learning (RL) frameworks generally assume that the agent perceives the state of the underlying Markov process instantaneously and then takes actions accordingly. If the agent cannot directly observe the process, but rather receives state updates from a remote sensor over a lossy and/or delayed channel, it may be forced to operate with partial and intermittent information. In recent years, numerous learning architectures have been proposed to manage RL with imperfect or remote feedback; however, they offer solutions tailored to specific use cases, often with a substantial computational and communication burden. To address these limitations, we propose a novel learning architecture, named Homomorphic Robust Remote Reinforcement Learning (HR3L), that enables the distributed training of RL agents over unreliable communication channels without the need to exchange gradient information. Our experimental results demonstrate that HR3L significantly outperforms the state-of-the-art methods in terms of sample efficiency, leading to faster training and reduced communication overhead. In addition, we show that HR3L can adapt to different scenarios, including packet loss, delayed transmissions, and bandwidth limitations, without experiencing significant performance degradation.
Authors: Muhammad Rajabinasab, Farhad Pakdaman, Moncef Gabbouj, Peter Schneider-Kamp, Arthur Zimek
Abstract: We propose a novel unsupervised outlier detection method based on Randomized Principal Component Analysis (PCA). Motivated by the performance of Randomized PCA (RPCA) Forest in approximate K-Nearest Neighbor (KNN) search, we develop a novel unsupervised outlier detection method that utilizes RPCA Forest for unsupervised outlier detection by deriving an outlier score from its intrinsic properties. Experimental results showcase the superiority of the proposed approach compared to the classical and state-of-the-art methods in performing the outlier detection task on several datasets while performing competitively on the rest. The extensive analysis of the proposed method reflects its robustness and its computational efficiency, highlighting it as a good choice for unsupervised outlier detection.
Authors: Yunfeng Ge, Ming Jin, Yiji Zhao, Hongyan Li, Bo Du, Chang Xu, Shirui Pan
Abstract: Time series forecasting is vital in diverse sectors such as energy and transportation, where non-stationary dynamics are deeply intertwined with external events in other modalities such as texts. However, incorporating natural language-based external events to improve non-stationary forecasting remains largely unexplored, as most approaches still rely on a single modality, resulting in limited contextual knowledge and model underperformance. Enabling fine-grained multimodal interactions between temporal and textual data is challenged by two fundamental issues: (1) the gap in modeling interactions among discrete external events and continuous time series in a unified framework; (2) classical uniform diffusion timestep ignores event-induced non-stationary variability, leading to imbalanced denoising difficulty across diffusion stages. In this work, we propose event-aware non-stationary time series forecasting (EventTSF), an autoregressive diffusion framework that integrates historical time series and textual events via step-wise diffusion. To mitigate the imbalanced denoising difficulty of uniform timestep sampling, EventTSF uses an event-aware flow-matching timestep conditioned on event semantics. Extensive experiments on 7 synthetic and real-world datasets show that EventTSF outperforms 12 non-stationary time series forecasting baselines, achieving average gains of 41.3% in probabilistic forecasting and 27.5% in deterministic forecasting across all evaluation metrics.
Authors: Koffi Ismael Ouattara, Ioannis Krontiris, Theo Dimitrakos, Frank Kargl
Abstract: As AI systems increasingly rely on training data, assessing dataset trustworthiness has become critical, particularly for properties like fairness or bias that emerge at the dataset level. Prior work has used Subjective Logic to assess trustworthiness of individual data, but not to evaluate trustworthiness properties that emerge only at the level of the dataset as a whole. This paper introduces the first formal framework for assessing the trustworthiness of AI training datasets, enabling uncertainty-aware evaluations of global properties such as bias. Built on Subjective Logic, our approach supports trust propositions and quantifies uncertainty in scenarios where evidence is incomplete, distributed, and/or conflicting. We instantiate this framework on the trustworthiness property of bias, and we experimentally evaluate it based on a traffic sign recognition dataset. The results demonstrate that our method captures class imbalance and remains interpretable and robust in both centralized and federated contexts.
Authors: Amalie Roark, Serio Agriesti, Francisco Camara Pereira, Guido Cantelmo
Abstract: The Macroscopic Fundamental Diagram is a popular tool used to describe traffic dynamics in an aggregated way, with applications ranging from traffic control to incident analysis. However, estimating the MFD for a given network requires large numbers of loop detectors, which is not always available in practise. This article proposes a framework to alleviate the data scarcity challenge harnessing Meta-Learning, a subcategory of Machine Learning that trains models to understand and adapt to new tasks on their own. We use Meta-Learning to identify and exploit transferable patterns from data-rich cities to cities where not enough data is available to estimate the MFD. The developed model is trained and tested by leveraging data from multiple cities and exploiting it to model the MFD of other cities with different shares of detectors and topological structures. The proposed Meta-Learning framework is applied to an ad-hoc Multi-Task Physics-Informed Neural Network, specifically designed to estimate the MFD. Results show an average MAE improvement in flow prediction of around 50% across cities (depending on the subset of loop detectors tested). The Meta-Learning framework thus successfully generalises across diverse urban settings and improves performance on cities with limited data, demonstrating the potential of using Meta-Learning when a limited number of detectors is available. We directly test this assumption by applying the Meta-Learning outputs to unseen cities to simulate a real-life application scenario and the wide applicability of the proposed methodology. Finally, the proposed framework is validated against traditional Transfer Learning approaches and tested with FitFun, a model for FD estimation from the literature, to prove its transferability.
Authors: Yang Qiao, Yuntong Hu, Bowen Zhu, Hasibul Haque, Liang Zhao
Abstract: Multimodal representation learning has been largely driven by contrastive models such as CLIP, which learn a shared embedding space by aligning paired image-text samples. While effective for general-purpose representation learning, such models typically produce a single embedding per sample that is reused across different semantic relations and contexts. However, in many real-world applications, relevance between samples is inherently relation-dependent, with different semantic relations emphasizing different aspects of multimodal data. In this work, we propose Relation-Conditioned Multimodal Learning (RCML), a framework that treats semantic relations as explicit conditions of multimodal representation learning. Rather than producing relation-agnostic embeddings, RCML learns representations conditioned on natural-language relation descriptions, allowing the same sample to be represented differently under different relational contexts. The framework constructs relation-aware training pairs, introduces a relation-conditioned module to adapt embeddings to relation semantics, and employs a unified contrastive objective to jointly model cross-modal alignment and relation-induced inter-sample structure. Experiments on multiple datasets show that RCML consistently outperforms strong baselines on retrieval and classification tasks in zero-shot, fine-tuned, and out-of-domain settings, highlighting the effectiveness of leveraging semantic relations to guide multimodal representation learning.
Authors: Weitao Feng, Lixu Wang, Peizhuo Lv, Tianyi Wei, Jie Zhang, Chongyang Gao, Sinong Zhan, Wei Dong
Abstract: As large language models (LLMs) continue to grow in capability, so do the risks of harmful misuse through fine-tuning. While most prior studies assume that attackers rely on supervised fine-tuning (SFT) for such misuse, we systematically demonstrate that reinforcement learning (RL) enables adversaries to more effectively break safety alignment and facilitate more advanced harmful task assistance, under matched computational budgets. To counter this emerging threat, we propose TokenBuncher, the first effective defense specifically targeting RL-based harmful fine-tuning. TokenBuncher suppresses the foundation on which RL relies: model response entropy. By constraining entropy, RL-based fine-tuning can no longer exploit distinct reward signals to drive the model toward harmful behaviors. We realize this defense through entropy-as-reward RL and a Token Noiser mechanism designed to prevent the escalation of harmful capabilities. Extensive experiments across multiple models and RL algorithms show that TokenBuncher robustly mitigates harmful RL fine-tuning while preserving benign task performance and finetunability. Our results highlight that RL-based harmful fine-tuning poses a greater systemic risk than SFT, and that TokenBuncher provides an effective and general defense.
Authors: Joshua Ward, Chi-Hua Wang, Guang Cheng
Abstract: Auditing the privacy leakage of synthetic data is an important but unresolved problem. Existing privacy auditing frameworks for synthetic data rely on heuristics and unrealistic assumptions about model access, offering limited ability to describe or detect the privacy exposure of training data through synthetic data release. In this paper, we study designing membership inference attacks (MIAs) that specifically exploit the observation that tabular generative models tend to significantly overfit to certain regions of the training distribution. We propose \emph{Generative Likelihood Ratio Attack} (Gen-LRA), a novel, computationally efficient No-Box MIA that, with no assumption of model knowledge or access, formulates its attack by evaluating the influence a test observation has on a surrogate model's estimate of a local likelihood ratio over the synthetic data. We develop a theoretical framework for the attack: we show that the Gen-LRA score admits a closed-form characterization as a localized density-ratio statistic, and we prove that under a general model of local overfitting it produces a provable mean-score gap between members and non-members, yielding testable predictions for when the attack should succeed. We validate these predictions in a controlled simulation study and assess Gen-LRA against a comprehensive benchmark spanning diverse datasets, generative model architectures, and attack parameters. Across metrics, Gen-LRA consistently dominates competing MIAs, with especially strong gains at low false positive rates. These results underscore Gen-LRA's effectiveness as a privacy auditing tool for the release of synthetic data, and highlight the significant privacy risks posed by generative model overfitting in real-world applications.
Authors: Hangzhan Jin, Sitao Luan, Tianwei Ni, Sicheng Lyu, Guillaume Rabusseau, Reihaneh Rabbany, Doina Precup, Mohammad Hamdaqa
Abstract: Supervised Fine-Tuning (SFT) followed by Reinforcement Learning (RL) is a standard post-training recipe for improving Large Language Models (LLM) reasoning, but why it works remains unclear. We revisit the common claim that ``SFT memorizes, RL generalizes'' through checkpoint-wise analyses of in-distribution (ID) and out-of-distribution (OOD) reasoning. We find that OOD performance often peaks early during SFT and then declines despite continued improvement in ID reasoning. RL typically does not surpass this early SFT peak; rather, it restores OOD capability lost during later SFT, and only from a bounded range of SFT checkpoints. Further spectral analysis shows that this forgetting-and-recovery pattern correlates with rotations of singular vectors, while singular values remain largely stable. These findings suggest a more precise view of post-training dynamics: SFT can forget, RL can recover, and controlling singular-vector rotation may improve OOD robustness. Code is available at \href{https://github.com/jinhangzhan/RL\_Heals\_SFT.git}{https://github.com/jinhangzhan/RL\_Heals\_SFT}.
URLs: https://github.com/jinhangzhan/RL\_Heals\_SFT.git, https://github.com/jinhangzhan/RL\_Heals\_SFT
Authors: Dulhan Jayalath, Shashwat Goel, Thomas Foster, Parag Jain, Suchin Gururangan, Cheng Zhang, Anirudh Goyal, Alan Schelten
Abstract: Where do learning signals come from when there is no ground truth in post-training? We show that inference compute itself can serve as supervision. By generating parallel rollouts and converting them into reference estimates, models can learn without human labels-critically, even in non-verifiable domains like healthcare guidance where no programmatic checker exists. We call this framework Compute as Teacher (CaT) and it turns inference-time compute from parallel rollouts into supervision for RL training. The framework has two components: (1) reference estimation which aggregates rollouts into a pseudo-reference answer, and (2) reward derivation which converts that pseudo-reference into RL rewards. For (1), we explore a simple method we call synthesis, but the framework admits any aggregator. For (2), we introduce self-proposed rubrics for non-verifiable domains. These are binary, auditable criteria generated from the pseudo-reference and scored by an LLM judge. On HealthBench, models trained with CaT match or exceed inference-time aggregation quality while using 9x less test-time compute. Here, CaT also competes with learning from expert physician annotations, yielding up to +30% relative improvement over the initial policy. The framework extends naturally to verifiable rewards, matching the best existing baselines on MATH-500 in test-time RL and demonstrating 'drop-in' versatility across both types of domains.
Authors: Chao Li, Bingkun Bao, Yang Gao
Abstract: This paper studies fully decentralized cooperative multi-agent reinforcement learning, where each agent solely observes the states, its local actions, and the shared rewards. The inability to access other agents' actions often leads to non-stationarity during value function updates and relative overgeneralization during value function estimation, hindering effective cooperative policy learning. However, existing works fail to address both issues simultaneously, due to their inability to model the joint policy of other agents in a fully decentralized setting. To overcome this limitation, we propose a novel method named Dynamics-Aware Context (DAC), which formalizes the task, as locally perceived by each agent, as an Contextual Markov Decision Process, and further addresses both non-stationarity and relative overgeneralization through dynamics-aware context modeling. Specifically, DAC attributes the non-stationary local task dynamics of each agent to switches between unobserved contexts, each corresponding to a distinct joint policy. Then, DAC models the step-wise dynamics distribution using latent variables and refers to them as contexts. For each agent, DAC introduces a context-based value function to address the non-stationarity issue during value function update. For value function estimation, an optimistic marginal value is derived to promote the selection of cooperative actions, thereby addressing the relative overgeneralization issue. Experimentally, we evaluate DAC on various cooperative tasks (including matrix game, predator and prey, and SMAC), and its superior performance against multiple baselines validates its effectiveness.
Authors: Da Chang, Yongxiang Liu, Ganzhao Yuan
Abstract: The Muon optimizer has demonstrated remarkable empirical success in handling matrix-structured parameters for training neural networks. However, a significant gap remains between its practical performance and theoretical understanding. Existing analyses show that the Muon variants achieve only a suboptimal ergodic convergence rate of $\mathcal{O}(T^{-1/4})$ in stochastic non-convex settings, where $T$ denotes the number of iterations. To study the theoretical limits of Muon, we analyze two momentum-based variance-reduced variants: the one-batch Muon-MVR1 and the two-batch Muon-MVR2. We provide the first rigorous proof that, under \textbf{horizon-free} learning-rate schedules, variance reduction enables Muon-MVR2 to attain the optimal anytime convergence rate $\widetilde{\mathcal{O}}(T^{-1/3})$, matching the lower bound for this problem class. Under the Polyak--\L{}ojasiewicz (PL) condition, we establish anytime guarantees for Muon-MVR1 and Muon-MVR2: they attain best-iterate rates of $\widetilde{\mathcal{O}}(T^{-1/4})$ and $\widetilde{\mathcal{O}}(T^{-1/3})$ for the expected square-root suboptimality, and, given an additional uniform gradient bound along the iterates, achieve last-iterate rates of $\mathcal{O}(T^{-1/4})$ and $\mathcal{O}(T^{-1/3})$ for the objective gap, respectively. Experiments on CIFAR-10 and C4 support the practical effectiveness of the proposed variance-reduced Muon variants. Code is available at \href{https://github.com/MaeChd/MUON-MVR}{Muon-MVR} Codebase.
Authors: Andrea Agazzi, Vittorio Carlei, Marco Romito, Samuele Saviozzi
Abstract: Global optimization, particularly for non-convex functions with multiple local minima, poses significant challenges for traditional gradient-based methods. While metaheuristic approaches offer empirical effectiveness, they often lack theoretical convergence guarantees and may disregard available gradient information. This paper introduces a novel gradient-based swarm particle optimization method designed to efficiently escape local minima and locate global optima. Our approach leverages a "Soft-min Energy" interacting function, $J_\beta(\mathbf{x})$, which provides a smooth, differentiable approximation of the minimum function value within a particle swarm. We define a stochastic gradient flow in the particle space, incorporating a Brownian motion term for exploration and a time-dependent parameter $\beta$ to control smoothness, similar to temperature annealing. We theoretically demonstrate that for strongly convex functions, our dynamics converges to a stationary point where at least one particle reaches the global minimum, with other particles exhibiting exploratory behavior. Furthermore, we show that our method facilitates faster transitions between local minima by reducing effective potential barriers with respect to Simulated Annealing. More specifically, we estimate the hitting times of unexplored potential wells for our model in the small noise regime and show that they compare favorably with the ones of overdamped Langevin. Numerical experiments on benchmark functions, including double wells and the Ackley function, validate our theoretical findings and demonstrate better performance over the well-known Simulated Annealing method in terms of escaping local minima and achieving faster convergence.
Authors: Hyunwoo Kim, Hyo Kyung Lee
Abstract: Off-policy reinforcement learning suffers from extrapolation errors when a learned policy selects actions that are weakly supported in the replay buffer. In this study, we address this issue by drawing an analogy to static friction. From this perspective, the replay buffer is represented as a smooth, low-dimensional action manifold, where the support directions correspond to the tangential component, while the normal component captures the dominant first-order extrapolation error. This decomposition reveals an intrinsic anisotropy in value sensitivity that naturally induces a stability condition analogous to a friction threshold. To mitigate deviations toward unsupported actions, we propose Frictional Q-Learning, an off-policy algorithm that encodes supported actions as tangent directions using a contrastive variational autoencoder. We further show that an orthonormal basis of the orthogonal complement corresponds to normal components under mild local isometry assumptions. Extensive empirical results on standard continuous-control benchmarks consistently demonstrate robust and stable performance compared with competitive baselines.
Authors: Dongming Huang, Zhifan Li, Yicheng Li, Qian Lin
Abstract: We study spectral algorithms in the setting where kernels are learned from data. We introduce the effective span dimension (ESD), an alignment-sensitive complexity measure that depends jointly on the signal, spectrum, and noise level $\sigma^2$. The ESD is well-defined for arbitrary kernels and signals without requiring eigen-decay conditions or source conditions. We prove that for sequence models whose ESD is at most $K$, the minimax excess risk scales as $\sigma^2 K$. Furthermore, we analyze over-parameterized gradient flow and prove that it can reduce the ESD. This finding establishes a connection between adaptive feature learning and provable improvements in generalization of spectral algorithms. We demonstrate the generality of the ESD framework by extending it to linear models and RKHS regression, and we support the theory with numerical experiments. This framework provides a novel perspective on generalization beyond traditional fixed-kernel theories.
Authors: Daniil Shmelev, Luke Thompson, Cristopher Salvi
Abstract: Backpropagation through (neural) SDE solvers is traditionally approached in two ways: discretise-then-optimise, which offers accurate gradients but incurs prohibitive memory costs; and optimise-then-discretise, which achieves constant memory cost by solving an auxiliary backward SDE, but suffers from slower evaluation and gradient approximation errors. Algebraically reversible solvers promise both memory efficiency and gradient accuracy, yet existing methods such as Reversible Heun are often unstable under complex models and large step sizes, and their non-standard auxiliary-state structure obstructs extension to manifold-valued SDEs. Building on the recently introduced Explicit and Effectively Symmetric (EES) schemes - a class of stable, near-reversible explicit Runge--Kutta methods - we address both limitations of existing schemes. We extend EES schemes from ODEs to SDEs and show that they admit an efficient Williamson 2N-storage realisation. Bazavov's commutator-free construction then lifts these schemes to arbitrary Lie groups and homogeneous spaces. To our knowledge, this is the first explicit (near-)reversible integrator in this setting, unlocking the reversible adjoint approach for manifold-valued problems. On Euclidean neural SDE benchmarks, our schemes improve stability under stiff drift and large steps compared with other reversible solvers, while the commutator-free lift reduces memory by up to an order of magnitude on manifold-valued problems versus other baselines. These results establish effectively symmetric integration as a unified, geometry-aware foundation for memory-efficient and stable training of neural SDEs.
Authors: Abhishek Moturu, Muhammad Muzammil, Anna Goldenberg, Babak Taati
Abstract: Training deep neural networks with noise and data heterogeneity is a major challenge. We introduce Lightweight Learnable Adaptive Weighting (LiLAW), a method that dynamically adjusts the loss weight of each training sample based on its evolving difficulty, categorized as easy, moderate, and hard, using only three global learnable scalar parameters. LiLAW learns to adaptively prioritize samples by updating these parameters with a single gradient descent step on a validation mini-batch after each training mini-batch, without requiring a clean, unbiased validation set. Experiments across general and medical imaging datasets, several noise types and levels, loss functions, and architectures with and without pretraining, including linear probing and full fine-tuning, show that LiLAW consistently improves accuracy and AUROC, especially in higher-noise settings, without requiring excessive tuning. We also obtain state-of-the-art results incorporating synthetic and augmented data from SynPAIN, GAITGen, ECG5000, and improved fairness on the Adult dataset. LiLAW is lightweight, practical, and computationally efficient, making it an effective, scalable approach to boost generalization and robustness across diverse deep learning training setups, especially in resource-constrained settings.
Authors: Qingyu Han, Qian Li, Linxin Yang, Qian Chen, Qingjiang Shi, Ruoyu Sun
Abstract: Integer Linear Programs (ILPs) are central to real-world optimizations but notoriously difficult to solve. Learning to Optimize (L2O) has emerged as a promising paradigm, with Graph Neural Networks (GNNs) serving as the standard backbone. However, standard anonymous GNNs are limited in expressiveness for ILPs, and the common enhancement of augmenting nodes with globally unique identifiers (UIDs) typically introduces spurious correlations that severely harm generalization. To address this tradeoff, we propose a parsimonious Local-UID scheme based on d-hop uniqueness coloring, which ensures identifiers are unique only within each node's d-hop neighborhood. Building on this scheme, we introduce ColorGNN, which incorporates color information via color-conditioned embeddings, and ColorUID, a lightweight feature-level variant. We prove that for d-layer networks, Local-UIDs achieve the expressive power of Global-UIDs while offering stronger generalization. Extensive experiments show that our approach yields substantial and robust gains across ILP benchmarks.
Authors: David Janz, El-Mahdi El-Mhamdi, Arya Akhavan
Abstract: We study online convex optimisation with $\ell_q$-Lipschitz losses, $\ell_p$-regularised FTRL, and randomised two-point finite-difference gradient estimators based on cone-measure sampling from $\ell_r$-spheres. For random Lipschitz losses whose mean is convex, we prove unified high-probability regret bounds for all $p,q,r \in [1,\infty]$. The analysis is driven by all-moment bounds for the gradient estimator in the dual FTRL norm, yielding time-uniform control of the quadratic variation. The algorithm is anytime and data-driven; in the special cases previously studied, its rates recover the known in-expectation guarantees while strengthening them to time-uniform high probability. Together with constant-probability lower bounds, these results establish optimality for $q\in[1,2]$ under appropriate sampling geometry, and expose a gap for $q>2$ that appears intrinsic to the estimators themselves.
Authors: Andrii Zahorodnii, Christopher Wang, Geeling Chau, Bennett Stankovits, Charikleia Moraitaki, Eli Gross, Alexander Brady, Andrei Barbu, Boris Katz, Ila R Fiete
Abstract: High-resolution neural datasets enable foundation models for the next generation of brain-computer interfaces and neurological treatments. The community requires rigorous benchmarks to discriminate between competing modeling approaches, yet no standardized evaluation frameworks exist for intracranial EEG (iEEG) recordings. To address this gap, we present Neuroprobe: a suite of decoding tasks for studying multi-modal language processing in the brain. Unlike scalp EEG, intracranial EEG requires invasive surgery to implant electrodes that record neural activity directly from the brain with minimal signal distortion. Neuroprobe is built on the BrainTreebank dataset, which consists of over 40 hours of iEEG recordings from 10 human subjects performing a naturalistic movie viewing task. Neuroprobe serves two critical functions. First, it is a source from which neuroscience insights can be drawn. The high temporal and spatial resolution of the labeled iEEG allows researchers to systematically determine when and where computations for each aspect of language processing occur in the brain by measuring the decodability of each feature across time and all electrode locations. Using Neuroprobe, we visualize how information flows from key language and audio processing sites in the superior temporal gyrus to sites in the prefrontal cortex. We also demonstrate the time evolution of processing from simple auditory features (e.g., pitch and volume) to more complex language features (e.g., part of speech) in a purely data-driven manner. Second, as the field moves toward neural foundation models trained on large-scale datasets, Neuroprobe provides a rigorous framework for comparing competing architectures and training protocols. We make the code for Neuroprobe openly available, aiming to enable rapid progress in the field of iEEG foundation models. Public leaderboard: https://neuroprobe.dev/
URLs: https://neuroprobe.dev/
Authors: Divya Gopinath, Corina S. Pasareanu, Muhammad Usman
Abstract: We present Prophecy, a tool for automatically inferring formal properties of feed-forward neural networks. Prophecy is based on the observation that a significant part of the logic of feed-forward networks is captured in the activation status of the neurons at inner layers. Prophecy works by extracting rules based on neuron activations (values or on/off statuses) as preconditions that imply certain desirable output property, e.g., the prediction being a certain class. These rules represent network properties captured in the hidden layers that imply the desired output behavior. We present the architecture of the tool, highlight its features and demonstrate its usage on different types of models and output properties. We present an overview of its applications, such as inferring and proving formal explanations of neural networks, compositional verification, run-time monitoring, repair, and others. We also show novel results highlighting its potential in the era of large vision-language models.
Authors: Stefan Matthes, Zhiwei Han, Hao Shen
Abstract: Disentangled representations seek to recover latent factors of variation underlying observed data, yet their identifiability is still not fully understood. We introduce a unified framework in which disentanglement is achieved through mechanistic independence, which characterizes latent factors by how they act on observed variables rather than by their latent distribution. This perspective is invariant to changes of the latent density, even when such changes induce statistical dependencies among factors. Within this framework, we propose several related independence criteria -- ranging from support-based and sparsity-based to higher-order conditions -- and show that each yields identifiability of latent subspaces, even under nonlinear, non-invertible mixing. We further establish a hierarchy among these criteria and provide a graph-theoretic characterization of latent subspaces as connected components. Together, these results clarify the conditions under which disentangled representations can be identified without relying on statistical assumptions.
Authors: Xiangfei Qiu, Liu Yang, Xiangyu Xu, Hanyin Cheng, Xingjian Wu, Rongjia Wu, Zhigang Zhang, Ding Tu, Chenjuan Guo, Bin Yang, Christian S. Jensen, Jilin Hu
Abstract: Time series forecasting occurs in a range of financial applications providing essential decision-making support to investors, regulatory institutions, and analysts. Unlike multivariate time series from other domains, stock time series exhibit industry correlation. Exploiting this kind of correlation can improve forecasting accuracy. However, existing methods based on hypergraphs can only capture industry correlation relatively superficially. These methods face two key limitations: they do not fully consider inter-industry lead-lag interactions, and they do not model multi-scale information within and among industries. This study proposes the Hermes framework for stock time series forecasting that aims to improve the exploitation of industry correlation by addressing these limitations. The framework integrates moving aggregation and multi-scale fusion modules in a hypergraph network. Specifically, to more flexibly capture the lead-lag relationships among industries, Hermes proposes a hyperedge-based moving aggregation module. This module incorporates a sliding window and utilizes dynamic temporal aggregation operations to consider lead-lag dependencies among industries. Additionally, to effectively model multi-scale information, Hermes employs cross-scale, edge-to-edge message passing to integrate information from different scales while maintaining the consistency of each scale. Experimental results on multiple real-world stock datasets show that Hermes outperforms existing state-of-the-art methods.
Authors: Bogdan Raoni\'c, Siddhartha Mishra, Samuel Lanthaler
Abstract: Data-driven models are increasingly adopted in critical scientific fields like weather forecasting and fluid dynamics. These methods can fail on out-of-distribution (OOD) data, but detecting such failures in regression tasks is an open challenge. We propose a new OOD detection method based on estimating joint likelihoods using a score-based diffusion model. This approach considers not just the input but also the regression model's prediction, providing a task-aware reliability score. Across numerous scientific datasets, including PDE datasets, satellite imagery and brain tumor segmentation, we show that this likelihood strongly correlates with prediction error. Our work provides a foundational step towards building a verifiable 'certificate of trust', thereby offering a practical tool for assessing the trustworthiness of AI-based scientific predictions. Our code is publicly available at https://github.com/bogdanraonic3/OOD_Detection_ScientificML
URLs: https://github.com/bogdanraonic3/OOD_Detection_ScientificML
Authors: Lei Ma, Ling Guo, Hao Wu, Tao Zhou
Abstract: Learning operators from data is central to scientific machine learning. While DeepONets are widely used for their ability to handle complex domains, they require fixed sensor numbers and locations, lack mechanisms for uncertainty quantification, and are thus limited in practical applicability. Recent permutation-invariant extensions, such as the Variable-Input Deep Operator Network, relax these sensor constraints but still rely on sufficiently dense observations and cannot capture uncertainties arising from incomplete measurements or from operators with inherent randomness. To address these challenges, we propose UQ-SONet, a permutation-invariant operator learning framework with built-in uncertainty quantification. Our model integrates a set transformer embedding to handle sparse and variable sensor locations, and employs a conditional variational autoencoder to approximate the conditional distribution of the solution operator. By minimizing the negative ELBO, UQ-SONet provides principled uncertainty estimation while maintaining predictive accuracy. Numerical experiments on deterministic and stochastic PDEs, including the Navier-Stokes equation, demonstrate the robustness and effectiveness of the proposed framework.
Authors: Yanan Zhao, Feng Ji, Jingyang Dai, Jiaze Ma, Wee Peng Tay
Abstract: Graph Contrastive Learning (GCL) has shown strong promise for unsupervised graph representation learning, yet its effectiveness on heterophilic graphs, where connected nodes often belong to different classes, remains limited. Most existing methods rely on complex augmentation schemes, intricate encoders, or negative sampling, which raises the question of whether such complexity is truly necessary in this challenging setting. In this work, we revisit the foundations of supervised and unsupervised learning on graphs and uncover a simple yet effective principle for GCL: mitigating node feature noise by aggregating it with structural features derived from the graph topology. This observation suggests that the original node features and the graph structure naturally provide two complementary views for contrastive learning. Building on this insight, we propose an embarrassingly simple GCL model that uses a GCN encoder to capture structural features and an MLP encoder to isolate node feature noise. Our design requires neither data augmentation nor negative sampling, yet achieves state-of-the-art results on heterophilic benchmarks with minimal computational and memory overhead, while also offering advantages in homophilic graphs in terms of complexity, scalability, and robustness. We provide theoretical justification for our approach and validate its effectiveness through extensive experiments, including robustness evaluations against both black-box and white-box adversarial attacks.
Authors: Jose I. Mestre, Alberto Fern\'andez-Hern\'andez, Cristian P\'erez-Corral, Manuel F. Dolz, Jose Duato, Enrique S. Quintana-Ort\'i
Abstract: In this work we introduce GreenLightningAI (GLAI), a new architectural block designed as an alternative to conventional MLPs. The central idea is to separate two types of knowledge that are usually entangled during training: (i) *structural knowledge*, encoded by the stable activation patterns induced by ReLU activations; and (ii) *quantitative knowledge*, carried by the numerical weights and biases. By fixing the structure once stabilized, GLAI reformulates the MLP as a combination of paths, where only the quantitative component is optimized. This reformulation retains the universal approximation capabilities of MLPs, yet achieves a more efficient training process, reducing training time by ~40% on average across the cases examined in this study. Crucially, GLAI is not just another classifier, but a generic block that can replace MLPs wherever they are used, from supervised heads with frozen backbones to projection layers in self-supervised learning or few-shot classifiers. Across diverse experimental setups, GLAI consistently matches or exceeds the accuracy of MLPs with an equivalent number of parameters, while converging faster. Overall, GLAI establishes a new design principle that opens a direction for future integration into large-scale architectures such as Transformers, where MLP blocks dominate the computational footprint.
Authors: Huijing Zhang, Muyang Cao, Linshan Jiang, Xin Du, Di Yu, Changze Lv, Shuiguang Deng
Abstract: Continuous learning of novel classes is crucial for edge devices to preserve data privacy and maintain reliable performance in dynamic environments. However, the scenario becomes particularly challenging when data samples are insufficient, requiring on-device few-shot class-incremental learning (FSCIL). Although existing work has explored parameter-efficient FSCIL frameworks based on artificial neural networks (ANNs), their deployment is still fundamentally constrained by limited device resources. Spiking neural networks (SNNs) process spatiotemporal information efficiently, offering lower energy consumption, greater biological plausibility, and compatibility with neuromorphic hardware than ANNs. In this work, we propose an SNN-based method containing Sparsity-Aware neuronal dynamics and Fast Adaptive structure (SAFA-SNN) for on-device FSCIL. By threshold regulation, most neurons exhibit stable spikes and others exhibit adaptive spikes. As a result, synaptic traces that encode base-class knowledge are naturally preserved, thereby alleviating catastrophic forgetting. To cope with spike non-differentiability in backpropagation, we employ a gradient-free technique, i.e., zeroth-order optimization. Moreover, class prototypes can limit overfitting on few-shot data but introduce bias. We enhance prototype discriminability by orthogonal subspace projection. Extensive experiments conducted on two standard benchmark datasets (CIFAR-100 and Mini-ImageNet) and three neuromorphic datasets (CIFAR10-DVS, DVS128 Gesture, and N-Caltech101) demonstrate that SAFA-SNN outperforms baselines, specifically achieving at least 4.01% improvement at the last incremental session on Mini-ImageNet and 20% lower energy cost on CIFAR-100 over baselines with practical implementation.
Authors: Kai Yang, Yuqi Huang, Junheng Tao, Wanyu Wang, Qitian Wu
Abstract: Modeling 3D dynamics is a fundamental problem in multi-body systems across scientific and engineering domains and has important practical implications in object trajectory prediction and simulation. While recent GNN-based approaches have achieved strong performance by enforcing geometric symmetries, encoding high-order features or incorporating neural-ODE mechanics, they typically depend on explicitly observed structures and inherently fail to capture the unobserved interactions that are crucial to complex physical behaviors and dynamics mechanism. In this paper, we propose PAINET, a principled SE(3)-equivariant transformer for learning all-pair interactions in multi-body systems. The model comprises: (1) a novel physics-inspired attention network derived from the minimization trajectory of an energy function, and (2) a parallel decoder that preserves equivariance while enabling efficient inference. Empirical results on diverse real-world benchmarks, including human motion capture, molecular dynamics, and large-scale protein simulations, show that PAINET consistently outperforms recently proposed models, yielding 4.7% to 41.5% error reductions in 3D dynamics prediction with comparable computation costs in terms of time and memory. Our codes, baseline models and datasets are available at https://github.com/Icarus1411/PAINET.
Authors: Kristi Topollai, Anna Choromanska
Abstract: The vast majority of modern deep learning models are trained with momentum-based first-order optimizers. The momentum term governs the optimizer's memory by determining how much each past gradient contributes to the current convergence direction. Fundamental momentum methods, such as Nesterov Accelerated Gradient and the Heavy Ball method, as well as more recent optimizers such as AdamW and Lion, all rely on the momentum coefficient that is customarily set to $\beta = 0.9$ and kept constant during model training, a strategy widely used by practitioners, yet suboptimal. In this paper, we introduce an \textit{adaptive memory} mechanism that replaces constant momentum with a dynamic momentum coefficient that is adjusted online during optimization. We derive our method by approximating the objective function using two planes: one derived from the gradient at the current iterate and the other obtained from the accumulated memory of the past gradients. To the best of our knowledge, such a proximal framework was never used for momentum-based optimization. Our proposed approach is novel, extremely simple to use, and does not rely on extra assumptions or hyperparameter tuning. We implement adaptive memory variants of both SGD and AdamW across a wide range of learning tasks, from simple convex problems to large-scale deep learning scenarios, demonstrating that our approach can outperform standard SGD and Adam with hand-tuned momentum coefficients. Finally, our work opens doors for new ways of inducing adaptivity in optimization.
Authors: Alexander Murphy, Michal Danilowski, Soumyajit Chatterjee, Abhirup Ghosh
Abstract: Test-Time Adaptation (TTA) methods are often computationally expensive, require a large amount of data for effective adaptation, or are brittle to hyperparameters. Based on a theoretical foundation of the geometry of the latent space, we are able to significantly improve the alignment between source and distribution-shifted samples by re-centering target data embeddings at the origin. This insight motivates NEO -- a hyperparameter-free fully TTA method, that adds no significant compute compared to vanilla inference. NEO is able to improve the classification accuracy of ViT-Base on ImageNet-C from 55.6% to 59.2% after adapting on just one batch of 64 samples. When adapting on 512 samples NEO beats all 7 TTA methods we compare against on ImageNet-C, ImageNet-R and ImageNet-S and beats 6/7 on CIFAR-10-C, while using the least amount of compute. NEO performs well on model calibration metrics and additionally is able to adapt from 1 class to improve accuracy on 999 other classes in ImageNet-C. On Raspberry Pi and Jetson Orin Nano devices, NEO reduces inference time by 63% and memory usage by 9% compared to baselines. Our results based on 3 ViT architectures and 4 datasets show that NEO can be used efficiently and effectively for TTA.
Authors: Prakhar Srivastava, Farrin Marouf Sofian, Francesco Immorlano, Kushagra Pandey, Stephan Mandt
Abstract: Despite advances in test-time scaling and diffusion finetuning, guidance for Auto-Regressive Diffusion Models (ARDMs) remains underexplored. We introduce an amortized framework that augments a pretrained ARDM with an offline-trained controller. By previewing future rollouts, the controller learns stepwise corrections that anticipate observations under a terminal-cost objective, yielding a reusable policy for guided generation. Motivated by a stochastic optimal control view of ARDM trajectories, our method injects small controls within each denoising sub-step while staying close to the pretrained dynamics. We study this approach for dataassimilation (DA) in chaotic spatiotemporal partial differential equations (PDEs), where existing methods are often computationally expensive and susceptible to forecast drift under sparse observations. At inference, DA becomes a feed-forward rollout with on-the-fly corrections, achieving an order-of-magnitude speedup over strong diffusion-based baselines. Across two canonical PDEs and a compact ECMWF Reanalysis v5 (ERA5) pilot spanning six observation regimes, our method consistently improves stability and accuracy over state-of-the-art alternatives, with similar improvements observed in a larger-scale GenCast study.
Authors: Shuangyi Chen, Ashish Khisti
Abstract: We study black-box detection of machine-generated text under practical constraints: the scoring model (proxy LM) may mismatch the unknown source model, and per-input contrastive generation is costly. We propose SurpMark, a reference-based detector that summarizes a passage by the dynamics of its token surprisals. SurpMark discretizes surprisals into interpretable states, estimates a state-transition matrix for the test text, and scores it via a generalized Jensen-Shannon (GJS) gap between the test transitions and two fixed references (human vs. machine) built once from existing corpora. Theoretically, we derive design guidance for how the discretization bins should scale with data and provide a principled justification for our test statistic. Empirically, across multiple datasets, source models, and scenarios, SurpMark consistently matches or surpasses baselines, demonstrating strong robustness across domains and generators; our experiments on hyperparameter sensitivity exhibit trends that our theoretical results help to explain.
Authors: Kangping Hu, Stephen Mussmann
Abstract: Over the past couple of decades, many active learning acquisition functions have been proposed, leaving practitioners with an unclear choice of which to use. Bayesian-based active learning offers principled objectives with explainable intuition, including Expected Error Reduction (EER), Expected Predictive Information Gain (EPIG), and Bayesian Active Learning by Disagreements (BALD). A key challenge of such methods is the difficult scaling to large batch sizes, leading to either computational challenges (BatchBALD) or dramatic performance drops (top-$B$ selection). Here, using a particular formulation of Bayesian Decision Theory, we derive Partial Batch Label Sampling (ParBaLS) for the EPIG algorithm. We show experimentally for several datasets that ParBaLS EPIG gives superior performance for a fixed budget and Bayesian Logistic Regression on embeddings from large pre-trained models. Our code is available at https://github.com/ADDAPT-ML/ParBaLS.
Authors: Jiazheng Sun, Weixin Wang, Pan Xu
Abstract: We provide a unified algorithmic framework for ensemble sampling in nonlinear contextual bandits and develop corresponding regret bounds for two most common nonlinear contextual bandit settings: Generalized Linear Ensemble Sampling (GLM-ES) for generalized linear bandits and Neural Ensemble Sampling (Neural-ES) for neural contextual bandits. Both methods maintain multiple estimators for the reward model parameters via maximum likelihood estimation on randomly perturbed data. We prove high-probability frequentist regret bounds of $\widetilde{O}(d^{3/2} \sqrt{T} + d^{4})$ for GLM-ES and $\widetilde{{O}}(\widetilde{d}^{3/2} \sqrt{T})$ for Neural-ES, where $d$ is the dimension of feature vectors, $\widetilde{d}$ is the effective dimension of a neural tangent kernel (NTK) matrix and $T$ is the number of rounds. The regret bound of GLM-ES matches the state-of-the-art result of randomized exploration algorithms in generalized linear bandit setting. In the theoretical analysis, we introduce techniques that address challenges specific to nonlinear models. Practically, we remove fixed-time horizon assumption by developing anytime versions of our algorithms, suitable when $T$ is unknown. Finally, we empirically evaluate GLM-ES, Neural-ES and their anytime variants, demonstrating strong performance. Overall, our results establish ensemble sampling as a provable and practical randomized exploration approach for nonlinear contextual bandits.
Authors: Yuxin Wang, Dennis Frauen, Jonas Schweisthal, Maresa Schr\"oder, Stefan Feuerriegel
Abstract: Dropout is common in clinical studies, with up to half of patients leaving early due to side effects or other reasons. When dropout is informative (i.e., dependent on survival time), it introduces censoring bias, because of which treatment effect estimates are also biased. In this paper, we propose an assumption-lean framework to assess the robustness of conditional average treatment effect (CATE) estimates in survival analysis when facing censoring bias. Unlike existing works that rely on strong assumptions, such as non-informative censoring, to obtain point estimation, we use partial identification to derive informative bounds on the CATE. Thereby, our framework helps to identify patient subgroups where treatment is effective despite informative censoring. We further propose a novel model-agnostic meta-learner, called SurvB-learner, to estimate the bounds that can be used in combination with arbitrary machine-learning models, and that has favorable theoretical properties such as double-robustness and quasi-oracle efficiency. We finally demonstrate the effectiveness of our meta-learner across various experiments using both simulated and real-world data.
Authors: Katarzyna Kobalczyk, Zhiyuan Jerry Lin, Benjamin Letham, Zhuokai Zhao, Maximilian Balandat, Eytan Bakshy
Abstract: Many real-world optimization problems are guided by complex, subjective preferences that are difficult to express as explicit closed-form objectives. In response, we introduce Language-in-the-Loop Optimization (LILO), a Bayesian optimization (BO) framework that employs a large language model (LLM) to translate free-form natural language feedback and prior knowledge from a decision maker into structured preference signals, going beyond the restrictive scalar or pairwise feedback formats typically assumed in preferential BO. The LLM-derived preferences are integrated by a Gaussian process proxy model, enabling principled acquisition-driven exploration with calibrated uncertainty. By placing the LLM in a supporting role rather than as the optimizer itself, LILO preserves the sample efficiency and stability of BO while providing a flexible and expressive feedback interface. Across synthetic and real-world benchmarks, LILO consistently outperforms both conventional preference-based BO methods and LLM-only optimizers, with particularly strong gains in feedback-limited regimes.
Authors: Lukas Helff, Ruben H\"arle, Wolfgang Stammer, Felix Friedrich, Manuel Brack, Antonia W\"ust, Hikaru Shindo, Patrick Schramowski, Kristian Kersting
Abstract: Large language models (LLMs) excel at generating fluent text, but their internal reasoning remains opaque and difficult to control. Sparse autoencoders (SAEs) make hidden activations more interpretable by exposing latent features that often align with human concepts. Yet, these features are fragile and passive, offering no mechanism for systematic reasoning or model control. To address this, we introduce ActivationReasoning (AR), a framework that embeds explicit logical reasoning into the latent space of LLMs. It proceeds in three stages: (1) Finding latent representations, first latent concept representations are identified (e.g., via SAEs) and organized into a dictionary; (2) Activating propositions, at inference time AR detects activating concepts and maps them to logical propositions; and (3)Logical reasoning, applying logical rules over these propositions to infer higher-order structures, compose new concepts, and steer model behavior. We evaluate AR on multi-hop reasoning (PrOntoQA), abstraction and robustness to indirect concept cues (Rail2Country), reasoning over natural and diverse language (ProverQA), and context-sensitive safety (BeaverTails). Across all tasks, AR scales robustly with reasoning complexity, generalizes to abstract and context-sensitive tasks, and transfers across model backbones. These results demonstrate that grounding logical structure in latent activations not only improves transparency but also enables structured reasoning, reliable control, and alignment with desired behaviors, providing a path toward more reliable and auditable AI.
Authors: Rui Zhu, Song-Lin Lv, Zi-Kang Wang, Lan-Zhe Guo
Abstract: Exploiting unlabeled data through semi-supervised learning (SSL) or leveraging pre-trained models via fine-tuning are two prevailing paradigms for addressing label-scarce scenarios. Recently, growing attention has been given to combining fine-tuning of pre-trained vision-language models (VLMs) with SSL, forming the emerging paradigm of semi-supervised fine-tuning. However, existing methods often suffer from model bias and hyperparameter sensitivity, due to reliance on prediction consistency or pre-defined confidence thresholds. To address these limitations, we propose a simple yet effective plug-and-play methodology named $\underline{\textbf{Bi-Co}}$nsistency-$\underline{\textbf{G}}$uided Self-Training (Bi-CoG), which assigns high-quality and low-bias pseudo-labels, by simultaneously exploiting inter-model and intra-model consistency, along with an error-aware dynamic pseudo-label assignment strategy. Both theoretical analysis and extensive experiments over 14 datasets demonstrate the effectiveness of Bi-CoG, which consistently and significantly improves the performance of existing methods.
Authors: Omar Naim, Krish Sharma, Niyar R Barman, Nicholas Asher
Abstract: Large Language Models (LLMs) typically come with a fixed architecture, despite growing evidence that not all layers contribute equally to every downstream task. We introduce TALE (Task-Aware Layer Elimination), an inference-time method that improves task performance by selectively removing layers that are irrelevant or detrimental for a given task. TALE optimizes task-specific performance, yielding a task-optimized architecture without retraining. Across 9 tasks and 5 model families, under both zero-shot and few-shot settings, TALE consistently matches or surpasses baseline performance while simultaneously reducing computational costs. TALE also synergizes with fine-tuning, leading to further performance improvements. Computing TALE for a new task requires modest resources, making it a practical and deployable solution for task-specialized LLM inference.
Authors: Yuxiang Chen, Yifan Liu, Xiaoming Xu, Pengle Zhang, Michael Beyer, Martin Rapp, Jun Zhu, Jianfei Chen
Abstract: Large Language Models (LLMs) training is prohibitively expensive, driving interest in low-precision fully-quantized training (FQT). While novel 4-bit formats like NVFP4 offer substantial efficiency gains, achieving near-lossless training at such low precision remains challenging. We introduce TetraJet-v2, an end-to-end 4-bit FQT method that leverages NVFP4 for activations, weights, and gradients in all linear layers. We identify two critical issues hindering low-precision LLM training: weight oscillation and outliers. To address these, we propose: 1) an unbiased double-block quantization method for NVFP4 linear layers with practically optimal convergence in LLM training, 2) OsciReset, the first effective algorithm to suppress LLMs' weight oscillation bottleneck, and 3) OutControl, a mix-precision algorithm to retain outlier accuracy. TetraJet-v2 outperforms prior methods on FP4 pre-training for LLMs across models up to 370M parameters trained up to 212B tokens, reducing the performance gap to BF16 by an average of 51.3% while enabling an 1.67x end-to-end speedup over FP8. The code is available at https://github.com/thu-ml/TetraJet-v2-NVFP4Training.
Authors: Hongrun Ren, Yun Xiong, Lei You, Yingying Wang, Haixu Xiong, Yangyong Zhu
Abstract: The rise of the machine learning (ML) model economy has intertwined markets for training datasets and pre-trained models. However, most pricing approaches still separate data and model transactions or rely on broker-centric pipelines that favor one side. Recent studies of data markets with externalities capture buyer interactions but do not yield a simultaneous and symmetric mechanism across data sellers, model producers, and model buyers. We propose a unified data-model coupled market that treats dataset and model trading as a single system. A supply-side mapping transforms dataset payments into buyer-visible model quotations, while a demand-side mapping propagates buyer prices back to datasets through Shapley-based allocation. Together, they form a closed loop that links four interactions: supply-demand propagation in both directions and mutual coupling among buyers and among sellers. We prove that the joint operator is a standard interference function (SIF), guaranteeing existence, uniqueness, and global convergence of equilibrium prices. Experiments demonstrate efficient convergence and improved fairness compared with broker-centric and one-sided baselines. The code is available on https://github.com/HongrunRen1109/Triple-Win-Pricing.
Authors: Yanan Zhao, Feng Ji, Jingyang Dai, Jiaze Ma, Keyue Jiang, Kai Zhao, Wee Peng Tay
Abstract: Graph contrastive learning (GCL) learns node and graph representations by contrasting multiple views of the same graph. Existing methods typically rely on fixed, handcrafted views-usually a local and a global perspective, which limits their ability to capture multi-scale structural patterns. We present an augmentation-free, multi-view GCL framework grounded in fractional-order continuous dynamics. By varying the fractional derivative order $\alpha \in (0,1]$, our encoders produce a continuous spectrum of views: small $\alpha$ yields localized features, while large $\alpha$ induces broader, global aggregation. We treat $\alpha$ as a learnable parameter so the model can adapt diffusion scales to the data and automatically discover informative views. This principled approach generates diverse, complementary representations without manual augmentations. Extensive experiments on standard benchmarks demonstrate that our method produces more robust and expressive embeddings and outperforms state-of-the-art GCL baselines.
Authors: Wenlong Shang, Shihao Tian, Xutong Wan, Peng Chang
Abstract: Reconstruction-based methods are a dominant paradigm in time series anomaly detection (TSAD), however, their near-universal reliance on Mean Squared Error (MSE) loss results in statistically flawed reconstruction residuals. This fundamental weakness leads to noisy, unstable anomaly scores, hindering reliable detection. To address this, we propose Constrained Gaussian-Noise Optimization and Smoothing (COGNOS), a universal, model-agnostic enhancement framework that tackles this issue at its source. COGNOS introduces a novel Gaussian-White Noise Regularization strategy during training, which directly constrains the model's output residuals to conform to a Gaussian white noise distribution. This engineered statistical property creates the ideal precondition for our second contribution: Adaptive Residual Kalman Smoother that operates as a statistically robust estimator to denoise the raw anomaly scores. Extensive experiments on multiple benchmarks demonstrate that COGNOS consistently enhances the performance of state-of-the-art backbones significantly, validating the efficacy of coupling statistical regularization with adaptive filtering.
Authors: Chanakya Ekbote, Vijay Lingam, Sujay Sanghavi, Jun Huan, Behrooz Omidvar-Tehrani, Anoop Deoras, Stefano Soatto
Abstract: Reinforcement Learning with Verifiable Rewards (RLVR) has become a standard recipe for post-training LLMs on reasoning tasks, with Group Relative Policy Optimization (GRPO) emerging as a leading approach. However, GRPO and its variants are inherently single-turn: they optimize from terminal rewards on isolated prompt-response pairs, leaving them poorly suited to agentic settings where models must iteratively refine solutions in response to environmental feedback. We introduce MURPHY, a multi-turn extension of GRPO for self-correcting code generation. MURPHY constructs feedback-conditioned rollout trees in which failed candidate solutions are paired with executor feedback and expanded into subsequent turns, and propagates rewards backward through the tree so that later successful refinements credit earlier attempts that surfaced informative feedback. We study two propagation strategies, Max Reward (MARS) and Mean Reward (MERS), and introduce post-rollout pruning mechanisms that reduce multi-turn optimization cost. Across three code generation benchmarks (HumanEval, MBPP, LiveCodeBench-v6) and two model families (Qwen3-1.7B/4B, OLMo-2-7B), MURPHY delivers up to 6% absolute pass@1 gains over the strongest prior multi-turn execution-feedback methods. Gains are largest on the Medium/Hard subset (+4.38/+4.20 at Iter-5), where iterative self-correction matters more.
Authors: Omri Ben-Dov, Luiz F. O. Chamon
Abstract: The forward Kullback-Leibler (KL) divergence is a ubiquitous objective for fitting a parameterized distribution to samples due to its tractability and equivalence to maximum likelihood estimation (MLE). Its inherent asymmetry, however, may lead to degenerate solutions that generalize poorly. While the symmetric Jeffreys divergence offers a more balanced alternative, its optimization is challenging due to the presence of a reverse KL term. Generative adversarial networks (GANs) bypass this intractability using a min-max formulation at the cost of introducing new instability issues. This work proposes a non-adversarial approach to minimize the Jeffreys divergence. To do so, it uses a proxy model to tractably approximate the reverse KL divergence of the main model. The main and proxy models are jointly fitted to the data using a constrained optimization formulation to obtain a practical algorithm that adapts the models' priorities throughout training. We evaluate our framework on various tasks, including density estimation and simulation-based inference, and demonstrate that this approach is more stable and more accurate than MLE and GANs, particularly in low-data regimes.
Authors: Yusong Wu, Stephen Brade, Aleksandra Teng Ma, Tia-Jane Fowler, Enning Yang, Berker Banar, Aaron Courville, Natasha Jaques, Cheng-Zhi Anna Huang
Abstract: Most applications of generative AI involve a sequential interaction in which a person inputs a prompt and waits for a response, and where reaction time and adaptivity are not important factors. In contrast, live jamming is a collaborative interaction that requires real-time coordination and adaptation without access to the other player's future moves, while preserving diversity to sustain a creative flow. Reinforcement learning post-training enables effective adaptation through on-policy interaction, yet it often reduces output diversity by exploiting coherence-based rewards. This collapse, known as ``reward hacking'', affects many RL post-training pipelines, but is especially harmful in live jamming, where musical creativity relies on dynamic variation and mutual responsiveness. In this paper, we propose a novel adversarial training method on policy-generated trajectories to mitigate reward hacking in RL post-training for melody-to-chord accompaniment. A co-evolving discriminator separates policy trajectories from the data distribution, while the policy maximizes the discriminator output in addition to coherence rewards to prevent collapse to trivial outputs. We evaluate accompaniment quality and output diversity in simulation with both fixed test melodies and learned melody agents, and we conduct a user study with the model deployed in a real-time interactive system with expert musicians. Quantitative evaluation and user feedback demonstrate improved output diversity, harmonic coherence, adaptation speed and user agency. Our results demonstrate a simple yet effective method to mitigate reward hacking in RL post-training of generative sequence models.
Authors: Nikita P. Kalinin, Joel Daniel Andersson
Abstract: We study differentially private model training with stochastic gradient descent under learning rate scheduling and correlated noise. Although correlated noise, in particular via matrix factorizations, has been shown to improve accuracy, prior theoretical work focused primarily on the prefix-sum workload. That workload assumes a constant learning rate, whereas in practice learning rate schedules are widely used to accelerate training and improve convergence. We close this gap by deriving general upper and lower bounds for a broad class of learning rate schedules in both single- and multi-epoch settings. Building on these results, we propose a learning-rate-aware factorization that achieves improvements over prefix-sum factorizations under both MaxSE and MeanSE error metrics. Our theoretical analysis yields memory-efficient constructions suitable for practical deployment, and experiments on CIFAR-10 and IMDB datasets confirm that schedule-aware factorizations improve accuracy in private training.
Authors: Victor Rambaud, Salvador Mascarenhas, Yair Lakretz
Abstract: A cognitive map is an internal model which encodes the abstract relationships among entities in the world, giving humans and animals the flexibility to adapt to new situations, with a strong out-of-distribution (OOD) generalization that current AI systems still do not possess. To bridge this gap, we introduce $\textit{MapFormers}$, new Transformer-based architectures, which can learn cognitive maps from observational data and perform path-integration without supervision. Cognitive maps are learned in the model by disentangling structural relationships in the inputs from their specific content, a property that can be achieved by updating position encodings with input-dependent matrices, built as exponentials of learned combinations of Lie-algebra generators. We developed two variants of $\textit{MapFormers}$ that unify absolute and relative positional encoding to model episodic (EM) and working memory (WM), respectively. We tested $\textit{MapFormers}$ on several formal tasks targeting distinct cognitive capacities, including gating, 2D navigation and nested hierarchies (Dyck Languages). Our results demonstrate that $\textit{MapFormers}$ significantly outperform current AI architectures, achieving near-perfect OOD generalization where standard models fail. Furthermore, we show that $\textit{MapFormers}$ are scalable; evaluations on naturalistic data yield perplexity improvements over baselines, suggesting that these principles extend to large-scale, real-world domains. These results are obtained through efficient parallel computation on commutative maps, though our models can also learn non-commutative cognitive maps via sequential path-integration. Overall, these results suggest that input-dependent matrices provide a critical structural bias, by disentangling abstract relations from content in order to drive robust OOD generalization.
Authors: Robert Joseph George, Carson Eisenach, Udaya Ghai, Dominique Perrault-Joncas, Anima Anandkumar, Dean Foster
Abstract: Large language models can generate plausible code, but remain brittle for formal verification in proof assistants such as Lean. A central scalability challenge is that verified synthesis requires consistent artifacts across several coupled domains: executable code, formal specifications, theorem statements, and proof attempts. Existing approaches often treat these artifacts separately. We present BRIDGE, a structured prompting framework for multi-artifact program synthesis. BRIDGE decomposes generation into three interconnected domains: Code, Specification, and Theorem/Proof, and uses domain-specific intermediate reasoning to connect them. In Lean, BRIDGE often follows a code-first workflow, using the generated implementation as a semantic anchor for downstream specification, theorem statement, and proof-attempt generation. Across 178 algorithmic problems and five LLMs, BRIDGE improves Lean executable correctness by up to nearly 1.5x over direct prompting and can be roughly 2x more sample efficient at comparable generation lengths. We further find that specification-oriented prompting improves Python pass rates by up to 17.5 percentage points. Beyond inference-time prompting, supervised fine-tuning on BRIDGE-style reasoning traces yields nearly 1.5x higher Lean pass success than code-only fine-tuning, suggesting that these intermediate representations provide a learnable inductive bias. BRIDGE provides a practical framework for scaling verified synthesis while highlighting the remaining gap between executable correctness and full formal proof generation.
Authors: Timo Stoll, Chendi Qian, Ben Finkelshtein, Ali Parviz, Darius Weber, Fabrizio Frasca, Hadar Shavit, Antoine Siraudin, Arman Mielke, Marie Anastacio, Erik M\"uller, Maya Bechler-Speicher, Michael Bronstein, Mikhail Galkin, Holger Hoos, Mathias Niepert, Bryan Perozzi, Jan T\"onshoff, Christopher Morris
Abstract: Machine learning on graphs has made substantial progress across domains such as molecular property prediction and chip design. Yet benchmarking practices remain fragmented, often relying on narrow, task-specific datasets and inconsistent evaluation protocols, hindering reproducibility and broader progress. With the recent popularity of graph foundation models, these weaknesses have become apparent, as existing benchmarks are insufficient for thorough evaluation. To address these challenges, we introduce GraphBench, a comprehensive benchmark suite spanning diverse real-world domains and task settings, including node-level, edge-level, graph-level, and generative tasks. GraphBench provides standardized evaluation protocols, including consistent dataset splits and metrics for assessing out-of-distribution generalization across selected tasks, as well as a unified hyperparameter-tuning framework. We further evaluate GraphBench with recent message-passing neural networks and graph transformer models, establishing principled baselines for future research. See www.graphbench.io for further details.
Authors: Leyang Shen, Yang Zhang, Chun Kai Ling, Xiaoyan Zhao, Tat-Seng Chua
Abstract: Agents capable of accomplishing complex tasks through multiple interactions with the environment have emerged as a popular research direction. However, in such multi-step settings, the conventional group-level policy optimization algorithm becomes suboptimal because of its underlying assumption that each step holds equal contribution, which deviates significantly from reality. Our analysis reveals that only the action choices on a small fraction of states are critical in determining the final outcome. Building on this insight, we propose CARL, a criticality-aware reinforcement learning algorithm tailored for long-horizon agentic reasoning. CARL leverages entropy as a heuristic proxy for state criticality and achieves focused training by assigning rewards to actions taken from high-criticality states while excluding actions taken from low-criticality states from model updates, avoiding noisy credit assignment and redundant computation. Extensive experiments demonstrate that CARL achieves both stronger performance and higher efficiency across diverse evaluation settings. The source code will be publicly available.
Authors: Andrea Combette, Antoine Venaille, Nelly Pustelnik
Abstract: Proper initialisation strategy is of primary importance to mitigate gradient explosion or vanishing when training neural networks. Yet, the impact of initialisation parameters still lacks a precise theoretical understanding for several well-established architectures. Here, we propose a new initialisation for networks with sinusoidal activation functions such as \texttt{SIREN}, focusing on gradients control, their scaling with network depth, their impact on training and on generalization. To achieve this, we identify a closed-form expression for the initialisation of the parameters, differing from the original \texttt{SIREN} scheme. This expression is derived from fixed points obtained through the convergence of pre-activation distribution and the variance of Jacobian sequences. Controlling both gradients and targeting vanishing pre-activation helps preventing the emergence of inappropriate frequencies during estimation, thereby improving generalization. We further show that this initialisation strongly influences training dynamics through the Neural Tangent Kernel framework (NTK). Finally, we benchmark \texttt{SIREN} with the proposed initialisation against the original scheme and other baselines on function fitting and image reconstruction. The new initialisation consistently outperforms state-of-the-art methods across a wide range of reconstruction tasks, including those involving physics-informed neural networks.
Authors: Joshua Ward, Bochao Gu, Chi-Hua Wang, Guang Cheng
Abstract: Large Language Models (LLMs) have recently demonstrated remarkable performance in generating high-quality tabular synthetic data. In practice, two primary approaches have emerged for adapting LLMs to tabular data generation: (i) fine-tuning smaller models directly on tabular datasets, and (ii) prompting larger models with examples provided in context. In this work, we show that popular implementations from both regimes exhibit a tendency to compromise privacy by reproducing memorized patterns of numeric digits from their training data. To systematically analyze this risk, we introduce a simple No-box Membership Inference Attack (MIA) called LevAtt that assumes adversarial access to only the generated synthetic data and targets the string sequences of numeric digits in synthetic observations. Using this approach, our attack exposes substantial privacy leakage across a wide range of models and datasets, and in some cases, is even a perfect membership classifier on state-of-the-art models. Our findings highlight a unique privacy vulnerability of LLM-based synthetic data generation and the need for effective defenses. To this end, we propose two methods, including a novel sampling strategy that strategically perturbs digits during generation. Our evaluation demonstrates that this approach can defeat these attacks with minimal loss of fidelity and utility of the synthetic data.
Authors: Bowen Ding, Yuhan Chen, Jiayang Lyv, Jiyao Yuan, Qi Zhu, Shuangshuang Tian, Dantong Zhu, Futing Wang, Heyuan Deng, Fei Mi, Lifeng Shang, Tao Lin
Abstract: Supervised Fine-Tuning (SFT) and Reinforcement Learning (RL) dominate the post-training landscape for mathematical reasoning, yet differ fundamentally in their reliance on expert trajectories. To understand the optimal way to harness these trajectories for maximizing performance, we propose the Plasticity-Ceiling Framework. This framework empirically grounds the post-training landscape by decomposing the final performance ceiling into the foundational SFT performance and the subsequent RL plasticity (i.e., the maximum improvement via RL). Through extensive benchmarking, we establish the Sequential SFT-then-RL pipeline as the superior standard, overcoming the stability and premature convergence deficits inherent in synchronized approaches. Furthermore, we derive precise scaling guidelines: (1) Transitioning to RL at the Stable or Mild Overfitting Regime of SFT maximizes the final ceiling by securing a robust SFT foundation with substantial RL plasticity; (2) Refuting the ``Less is More'' hypothesis in SFT-then-RL scaling, we demonstrate that Data Scale determines the primary post-training potential, while Trajectory Difficulty acts as a performance multiplier; and (3) The Minimum Validation Loss of SFT serves as a reliable indicator for selecting the expert trajectories that maximize the ultimate performance ceiling. Our findings provide actionable guidelines for extracting maximum value from expert trajectories.
Authors: Taero Kim, Hoyoon Byun, Youngjun Choi, Sungrae Park, Kyungwoo Song
Abstract: Expanding pre-trained language models offers a practical way to increase capacity without training larger models from scratch. Depth Up-Scaling (DUS) does so by duplicating Transformer blocks and inserting them into a pre-trained backbone. This process also duplicates FFN-heavy blocks, increasing parameter and compute cost while adding capacity through a block-level dense residual branch. Yet prior work suggests that added capacity need not remain tied to dense FFN branches, while attention heads often play heterogeneous roles, motivating more efficient head-level residual corrections. We propose Memory-Infused Depth Up-Scaling (MIDUS), which replaces the duplicated FFN branches with memory layers and turns added depth into lightweight retrieval-based residual capacity. We introduce a Head-wise Memory Layer (HML), which combines multi-head product-key memory with Head-wise Implicit Value Expansion (HIVE). HML assigns each head a distinct key space, while HIVE realizes head-specific values from a shared latent bank through compact projections. Alongside empirical improvements in performance and efficiency, our head-importance and fixed-retrieval structural analyses characterize HML with HIVE as a structurally distinct, head-conditioned alternative to FFN-based residual expansion.
Authors: Eugenio Varetti, Matteo Torzoni, Marco Tezzele, Andrea Manzoni
Abstract: This work shows how adaptivity can enhance value realization of digital twins in civil engineering. We focus on adapting the state transition models within digital twins represented through probabilistic graphical models. The bi-directional interaction between the physical and virtual domains is modeled using dynamic Bayesian networks. By treating state transition probabilities as random variables endowed with conjugate priors, we enable hierarchical online learning of transition dynamics from a state to another through effortless Bayesian updates. We provide the mathematical framework to account for a larger class of distributions with respect to the current literature on digital twins. To compute dynamic policies with precision updates we solve parametric Markov decision processes through reinforcement learning. The proposed adaptive digital twin framework enjoys enhanced personalization, increased robustness, and improved cost-effectiveness. We assess our approach on a case study involving structural health monitoring and maintenance planning of a railway bridge.
Authors: Christophe Prieur, Mircea Lazar, Bogdan Robu
Abstract: In this paper we consider the limiting case of neural networks (NNs) architectures when the number of neurons in each hidden layer and the number of hidden layers tend to infinity thus forming a continuum, and we derive approximation errors as a function of the number of neurons and/or hidden layers. Firstly, we consider the case of neural networks with a single hidden layer and we derive an integral infinite width neural representation that generalizes existing continuous neural networks (CNNs) representations. Then we extend this to deep residual CNNs that have a finite number of integral hidden layers and residual connections. Secondly, we revisit the relation between neural ODEs and deep residual NNs and we formalize approximation errors via discretization techniques. Then, we merge these two approaches into a unified homogeneous representation of NNs as a Distributed Parameter neural Network (DiPaNet) and we show that most of the existing finite and infinite-dimensional NNs architectures are related via homogenization/discretization with the DiPaNet representation. Our approach is purely deterministic and applies to general, uniformly continuous matrix weight functions. Relations with neural fields and other neural integro-differential equations are discussed along with further possible generalizations and applications of the DiPaNet framework.
Authors: Siqiao Mu, Diego Klabjan
Abstract: The low-rank adaptation (LoRA) algorithm for fine-tuning large models has grown popular in recent years due to its remarkable performance and low computational requirements. LoRA trains two ``adapter" matrices that form a low-rank representation of the model parameters, thereby massively reducing the number of parameters that need to be updated at every step. Although LoRA is simple, its convergence is poorly understood due to the lack of Lipschitz smoothness, a key condition for classic convergence analyses. As a result, current theoretical results only consider asymptotic behavior or assume strong boundedness conditions which artificially enforce Lipschitz smoothness. In this work, we provide for the first time a non-asymptotic convergence analysis of the \textit{original LoRA gradient descent} algorithm, which reflects widespread practice, without such assumptions. Our work relies on three key steps: i) reformulating the problem in terms of the outer product of the stacked adapter matrices, ii) a modified descent lemma for the ``Lipschitz-like" reparametrized function, and iii) controlling the step size. With this approach, we prove that LoRA gradient descent converges to a stationary point at rate $O(\frac{1}{\log T})$, where $T$ is the number of iterations. We conduct numerical experiments to validate our theoretical findings.
Authors: Rongyao Cai, Yuxi Wan, Kexin Zhang, Ming Jin, Zhiqiang Ge, Daoyi Dong, Hang Yu, Yong Liu, Qingsong Wen
Abstract: Intuitively, a more deterministic time series should be easier to forecast. However, point-wise loss functions (e.g., MSE and MAE), serving as differentiable surrogates for the ideal optimization target, score each timestamp independently and therefore disregard temporal dependence. This mismatch induces a systematic optimization bias that cannot be eliminated merely by improving model expressiveness or optimizer. To formalize this issue, we define the Expectation of Optimization Bias (EOB) as the Kullback--Leibler divergence between the true joint distribution and the factorized i.i.d. surrogate induced by the point-wise paradigm. Under covariance-stationary Gaussian assumptions, we derive closed-form expressions for the stochastic component of EOB, establishing it as an irreducible lower bound on the total bias in linear systems, and further extend it to nonlinear regimes through a Gaussian mixture model lower bound. Crucially, we prove this bias is governed intrinsically by two data properties, i.e., sequence length and Structural Signal-to-Noise Ratio (SSNR), regardless of specific model architecture, optimizer, or point-wise loss forms. This theory motivates a principled debiasing program based on sequence length reduction and structural orthogonalization, which we instantiate through DFT/DWT combined with a novel harmonized $\ell_p$ norm. Extensive experiments validate the predicted SSNR--horizon dynamics, resolve the classic trigonometric fitting failure as an objective-induced pathology, and demonstrate substantial plug-and-play gains. Notably, on iTransformer, our proposed objective reduces average MSE/MAE by 5.2%/5.0% in forecasting across 11 datasets and by 27.4%/19.4% in imputation across 9 datasets.
Authors: Hui Sun
Abstract: This work introduces a novel nonlinear optimal filtering method, termed the Ensemble Schr{\"o}dinger Bridge nonlinear filter. The proposed filter combines the standard prediction step with a diffusion-generative-modeling-based analysis step, thereby completing one full filtering update. The resulting approach introduces no structural model error, and is derivative-free, training-free, and highly parallelizable. Numerical experiments demonstrate that the proposed algorithm performs effectively for highly nonlinear dynamics and nonlinear observation processes, including chaotic systems with dimension up to 40 and beyond. The results also show that the method outperforms classical approaches such as the ensemble Kalman filter and particle filter across a range of tests with varying degrees of nonlinearity. Future work will focus on extending the proposed method to practical meteorological applications and developing a rigorous convergence theory.
Authors: Carlo Malapad Acosta, Herath Mudiyanselage Viraj Vidura Herath, Jia Yu Lim, Abhishek Saha, Sanka Rasnayaka, Lucy Marshall
Abstract: Flood models inform strategic disaster management by simulating the spatiotemporal hydrodynamics of flooding. While physics-based numerical flood models are accurate, their substantial computational cost limits their use in operational settings where rapid predictions are essential. Models designed with graph neural networks (GNNs) provide both speed and accuracy while having the ability to process unstructured spatial domains. Given its flexible input and architecture, GNNs can be leveraged alongside physics-informed techniques with ease, significantly improving interpretability and generalizability. We introduce a novel flood GNN architecture, DUALFloodGNN, which embeds physical constraints at both global and local scales through explicit loss terms. The model jointly predicts water volume at nodes and flow along edges through a shared message-passing framework. To improve performance for autoregressive inference, model training is conducted with a multi-step loss enhanced with dynamic curriculum learning. Compared with standard GNN architectures and state-of-the-art GNN flood models, DUALFloodGNN achieves substantial improvements in predicting multiple hydrologic variables (e.g., water volume, flow, and depth) while maintaining high computational efficiency. The model is open sourced at https://github.com/acostacos/dual_flood_gnn. The dataset is open sourced at https://hdl.handle.net/2123/35293 with the DOI 10.25910/9xav-0s86.
URLs: https://github.com/acostacos/dual_flood_gnn., https://hdl.handle.net/2123/35293
Authors: Pingzhi Tang, Yiding Wang, Muhan Zhang
Abstract: Large Language Models (LLMs) face the "knowledge cutoff" challenge, where their frozen parametric memory prevents direct internalization of new information. While Supervised Fine-Tuning (SFT) is commonly used to update model knowledge, it often updates factual content without reliably improving the model's ability to use the newly incorporated information for question answering or decision-making. Reinforcement Learning (RL) is essential for acquiring reasoning skills; however, its high computational cost makes it impractical for efficient online adaptation. We empirically observe that the parameter updates induced by SFT and RL are nearly orthogonal. Based on this observation, we propose Parametric Skill Transfer (PaST), a framework that supports modular skill transfer for efficient and effective knowledge adaptation. By extracting a domain-agnostic Skill Vector from a source domain, we can linearly inject knowledge manipulation skills into a target model after it has undergone lightweight SFT on new data. Experiments on knowledge-incorporation QA (SQuAD, LooGLE) and agentic tool-use benchmarks (ToolBench) demonstrate the effectiveness of our method. On SQuAD, PaST outperforms the state-of-the-art self-editing SFT baseline by up to 9.9 points. PaST further scales to long-context QA on LooGLE with an 8.0-point absolute accuracy gain, and improves zero-shot ToolBench success rates by +10.3 points on average with consistent gains across tool categories, indicating strong scalability and cross-domain transferability of the Skill Vector.
Authors: Qiyang Li, Sergey Levine
Abstract: We propose Q-learning with Adjoint Matching (QAM), a novel TD-based reinforcement learning (RL) algorithm that tackles a long-standing challenge in continuous-action RL: efficient optimization of an expressive diffusion or flow-matching policy with respect to a parameterized Q-function. Effective optimization requires exploiting the first-order information of the critic, but it is challenging to do so for flow or diffusion policies because direct gradient-based optimization via backpropagation through their multi-step denoising process is numerically unstable. Existing methods work around this either by only using the value and discarding the gradient information, or by relying on approximations that sacrifice policy expressivity or bias the learned policy. QAM sidesteps both of these challenges by leveraging adjoint matching, a recently proposed technique in generative modeling, which transforms the critic's action gradient to form a step-wise objective function that is free from unstable backpropagation, while providing an unbiased, expressive policy at the optimum. Combined with temporal-difference backup for critic learning, QAM consistently outperforms prior approaches on hard, sparse reward tasks in both offline and offline-to-online RL.
Authors: Xinyu Wang, Sicheng Lyu, Yu Gu, Jerry Huang, Peng Lu, Yufei Cui, Xiao-Wen Chang
Abstract: Model editing updates a pre-trained LLM with new facts or rules without retraining while preserving unrelated behavior. In real deployment, edits arrive as long streams, creating a plasticity-stability dilemma: repeated locate-then-edit "hard writes" can accumulate interference over time, while rigid preservation constraints may protect only explicitly constrained directions, allowing past edits or unconstrained behaviors to deviate. We propose RLSEdit, a recursive least-squares editor for long sequential editing. RLSEdit formulates editing as an online quadratic optimization with soft constraints, minimizing a cumulative key-value fitting objective together with two regularizers that control deviation from the pre-trained weights and from a designated anchor mapping. This objective admits an efficient Woodbury-based online recursion, with per-edit cost independent of history length and scaling only with the current edit size. We further provide deviation bounds and an asymptotic characterization of the adherence-preservation trade-off in the many-edits regime. Experiments on CounterFact and ZsRE across multiple model families show stable scaling to 10K edits, outperforming strong baselines in both edit success and holistic stability, while retaining early edits and preserving general capabilities on GLUE and held-out reasoning/code benchmarks.
Authors: Alejandro Ascarate, Leo Lebrat, Rodrigo Santa Cruz, Clinton Fookes, Olivier Salvado
Abstract: Variational autoencoders (VAE) encode data into lower-dimensional latent vectors before decoding those vectors back to data. Once trained, one can hope to detect out-of-distribution (abnormal) latent vectors, but several issues arise when the latent space is high dimensional. This includes an exponential growth of the hypervolume with the dimension, which severely affects the generative capacity of the VAE. In this paper, we draw insights from high dimensional statistics: in these regimes, the latent vectors of a standard VAE are distributed on the `equators' of a hypersphere, challenging the detection of anomalies. We propose to formulate the latent variables of a VAE using hyperspherical coordinates, which allows compressing the latent vectors towards a given direction on the hypersphere, thereby allowing for a more expressive approximate posterior. We show that this improves both the fully unconditional-OOD and conditional-OOD anomaly detection ability of the VAE, achieving the best performance on the datasets we considered, outperforming existing methods. For the unconditional-OOD and conditional-OOD modalities, respectively, these are: i) detecting unusual landscape from the Mars Rover camera and unusual Galaxies from ground based imagery (complex, real world datasets); ii) standard benchmarks like Cifar10 and subsets of ImageNet as the in-distribution (ID) class.
Authors: Ren Zhuang, Ben Wang, Shuifa Sun
Abstract: Scaling test-time compute enhances long chain-of-thought (CoT) reasoning, yet existing approaches face a fundamental trade-off between computational cost and coverage quality: either incurring high training expense or yielding redundant trajectories. We introduce The Geometric Reasoner (TGR), a training-free framework that performs manifold-informed latent foresight search under strict memory bounds. At each chunk boundary, TGR scores candidate latent anchors via a lightweight look-ahead estimate combined with soft geometric regularizers that encourage smooth trajectories and diverse exploration. Chunk-wise KV cache resets keep memory linear in chunk length. On challenging math and code benchmarks, TGR improves robust trajectory coverage, measured by the area under the Pass@k curve (AUC), by up to 13 points on Qwen3-8B, with negligible overhead of about 1.1--1.3 times.
Authors: Yichao Cai, Zhen Zhang, Yuhang Liu, Javen Qinfeng Shi
Abstract: While InfoNCE underlies modern contrastive learning, its geometric mechanisms remain under-characterized beyond the canonical alignment--uniformity decomposition. We develop a measure-theoretic framework in which learning evolves representation measures on a fixed embedding manifold. In the large-batch limit, we prove value and gradient consistency, linking the stochastic objective to explicit deterministic energy landscapes and revealing a geometric bifurcation between unimodal and symmetric multimodal regimes. In the unimodal case, the intrinsic energy is strictly convex and admits a unique Gibbs equilibrium, showing that entropy acts as a tie-breaker within the aligned basin. In the multimodal case, the intrinsic geometry becomes cross-coupled and contains a persistent negative symmetric divergence term: each modality's marginal reshapes the effective landscape of the other, allowing strong pairwise alignment to coexist with a persistent modality gap. Controlled synthetic experiments and analyses of pretrained CLIP representations support these predictions. Overall, our results shift the analytical lens from pointwise discrimination to population geometry, showing that pairwise alignment alone is insufficient to control cross-modal marginal structure.
Authors: Jim Maar, Denis Paperno, Callum Stuart McDougall, Neel Nanda
Abstract: Prior work suggests that language models, while trained on next token prediction, show implicit planning behavior: they may select the next token in preparation to a predicted future token, such as a likely rhyming word, as supported by a prior qualitative study of Claude 3.5 Haiku using a cross-layer transcoder. We propose much simpler techniques for assessing implicit planning in language models. With case studies on rhyme poetry generation and question answering, we demonstrate that our methodology easily scales to many models. Across models, we find that the generated rhyme (e.g. "-ight") or answer to a question ("whale") can be manipulated by steering at the end of the preceding line with a vector, affecting the generation of intermediate tokens leading up to the rhyme or answer word. We show that implicit planning is a universal mechanism, present in smaller models than previously thought, starting from 1B parameters. Our methodology offers a widely applicable direct way to study implicit planning abilities of LLMs. More broadly, understanding planning abilities of language models can inform decisions in AI safety and control.
Authors: Kadircan Aksoy, Protim Bhattacharjee, Peter Jung
Abstract: We study the training dynamics of neural classifiers through the lens of binary hypothesis testing. We re-formalize classification as a collection of binary tests between class-conditional distributions induced by learned representations and show empirically that, along training trajectories, well-generalizing networks progressively approach Neyman-Pearson optimal decision rules, as measured by monotonic growth in the KL divergence retained by learned representations. We provide sufficient conditions for exact optimality, discuss its implications for training regularization, and define an informational plane, (so-called Evidence-Error plane) where convergence can be assessed methodically across network architecture.
Authors: Elizabeth L. Baker, Alexander Denker, Jes Frellsen
Abstract: Score-based diffusion models have recently been extended to infinite-dimensional function spaces, with uses such as inverse problems arising from partial differential equations. In the Bayesian formulation of inverse problems, the aim is to sample from a posterior distribution over functions obtained by conditioning a prior on noisy observations. While diffusion models provide expressive priors in function space, the theory of conditioning them to sample from the posterior remains open. We address this, assuming that either the prior lies in the Cameron-Martin space, or is absolutely continuous with respect to a Gaussian measure. We prove that the models can be conditioned using an infinite-dimensional extension of Doob's $h$-transform, and that the conditional score decomposes into an unconditional score and a guidance term. As the guidance term is intractable, we propose a simulation-free score matching objective (called Supervised Guidance Training) enabling efficient and stable posterior sampling. We illustrate the theory with numerical examples on Bayesian inverse problems in function spaces. In summary, our work offers the first function-space method for fine-tuning trained diffusion models to accurately sample from a posterior.
Authors: Minwu Kim, Safal Shrestha, Anubhav Shrestha, Keith Ross
Abstract: As Reinforcement Learning with Verifiable Rewards (RLVR) substantially improves the reasoning abilities of large language models (LLMs), a new bottleneck emerges: more training problems become saturated, that is, the LLM answers the questions correctly for nearly every rollout. On such problems, rewards provide little useful learning signal. While collecting harder problems is a natural response, it is costly and increasingly difficult. We propose failure-prefix conditioning, a simple method that unlocks the remaining signal in saturated problems by shifting exploration toward failure-prone reasoning states. By conditioning on prefixes of rare incorrect trajectories, the method improves the model's ability to recover from misleading early reasoning. We observe that failure-prefix conditioning consistently improves performance where standard RLVR stalls, and achieves gains comparable to training on newly collected medium-difficulty problems. We further analyze the model's robustness, finding that our method reduces performance degradation under misleading failure prefixes, albeit with a mild trade-off in adherence to correct early reasoning. Finally, we demonstrate that an iterative approach, which refreshes failure prefixes during training, unlocks additional gains after performance plateaus. Overall, our results show that saturated problems still contain valuable learning signal, and that failure-prefix conditioning provides an effective way to unlock it.
Authors: Alexandre Larouche, Audrey Durand
Abstract: Generative Flow Networks (GFlowNets; GFNs) are a class of generative models that learn to sample compositional objects proportionally to their a priori unknown value, their reward. We focus on the case where the reward has a specified, actionable structure, namely that it is submodular. We show submodularity can be harnessed to retrieve upper bounds on the reward of compositional objects that have not yet been observed. We provide in-depth analyses of the probability of such bounds occurring, as well as how many unobserved compositional objects can be covered by a bound. Following the Optimism in the Face of Uncertainty principle, we then introduce SUBo-GFN, which uses the submodular upper bounds to train a GFN. We show that SUBo-GFN generates orders of magnitude more training data than classical GFNs for the same number of queries to the reward function. We demonstrate the effectiveness of SUBo-GFN in terms of distribution matching and high-quality candidate generation on synthetic and real-world submodular tasks.
Authors: Zhuochen Liu, Hans Walker, Rahul Jain
Abstract: Neural network models are increasingly used for state estimation in control and decision-making, yet it remains unclear to what extent they behave as principled filters in nonlinear dynamical systems. Unlike classical filters, which rely on explicit dynamics and noise models, neural estimators can be trained purely from data. We present a systematic comparison between model-free neural estimators and classical filtering methods across multiple nonlinear scenarios. On the neural side, we evaluate Transformer-based models, recurrent neural networks, and state-space models; on the classical side, we compare against particle filters and nonlinear Kalman filters. Results show that structured state-space models (SSMs), in particular Mamba and Mamba-2, are consistently strong among neural estimators. They approach strong classical filters in several nonlinear systems and outperform weaker classical baselines without access to system models, while the evaluated neural implementations achieve substantially higher inference throughput on the tested hardware. Accurate model-based filters can still dominate when their assumptions are well matched. We attribute the relative strength of SSMs to filtering-aligned inductive bias: recursive latent-state updates make them structurally closer to classical filters under fixed parameter budgets, finite data, and long-horizon evaluation.
Authors: Xiuyu Li, Jinkai Zhang, Mingyang Yi, Yu Li, Longqiang Wang, Yue Wang, Ju Fan
Abstract: Reinforcement Learning (RL) post-training alignment for language models is effective, but also costly and unstable in practice, owing to its complicated training process. To address this, we propose a training-free inference method to sample directly from the optimal RL policy. The transition probability applied to Masked Language Modeling (MLM) consists of a reference policy model and an energy term. Based on this, our algorithm, Energy-Guided Test-Time Scaling (ETS), estimates the key energy term via online Monte Carlo, with a provable convergence rate. Moreover, to ensure practical efficiency, ETS leverages modern acceleration frameworks alongside tailored importance sampling estimators, substantially reducing inference latency while provably preserving sampling quality. Experiments on MLM (including autoregressive models and diffusion language models) across reasoning, coding, and science benchmarks show that our ETS consistently improves generation quality, validating its effectiveness and design. The code is available at https://github.com/sheriyuo/ETS.
Authors: Yiming Wang, Zhuosheng Zhang, Rui Wang
Abstract: Parallel thinking improves LLM reasoning through multi-path sampling and aggregation. In standard evaluations, due to a lack of sample-specific priors, all samples share a global budget chosen to maximize dataset accuracy. However, many samples reach their best accuracy with much smaller budgets, causing low budget utilization. This contradiction between system efficacy and sample efficiency constitutes the Overscaling Curse. In this paper, we first provide a formal analysis of the overscaling curse and quantify its prevalence and severity in real-world systems. To break it, we propose Latent Budget Predictor (LanBo), which probes model latent representations to predict sample-specific optimal budgets. LanBo significantly improves budget utilization while maintaining dataset accuracy. We further integrate LanBo into the full decoding pipeline, inspiring Pre-decoding Budget Adaptation (PreAda), a paradigm that allocates budgets before decoding to preserve decoding-time parallelization. LanBo substantially improves hardware-aware efficiency in latency and memory, demonstrating both its practical value and the promise of LanBo for efficient parallel decoding.
Authors: Mohamed Elgaar, Hadi Amiri
Abstract: Curriculum learning changes the order of pretraining data, but it remains unclear how ordering changes the learning dynamics. We pretrain models from 14M to 1B parameters for 300B tokens under three linguistically motivated curricula--Age-of-Acquisition, word frequency, and Verb Variation (VV)--and compare each against Random ordering. We analyze latent training phases, gradient noise scale (GNS), and the singular-value structure of the output head. We find that training follows a shared sequence of latent phases, while curricula mainly change time spent in each phase. Random ordering yields higher GNS at 14M-70M and late singular-entropy spikes up to 160M, consistent with noisier gradients and output-head saturation. A reverse-order VV control shows that direction matters: descending order loses much of the accuracy advantage of the ascending curriculum. At larger scales, these stability differences are smaller. These results indicate that the curricula studied here are associated with more stable within-phase training in smaller models rather than with the creation of new phases.
Authors: Alberto Fern\'andez-Hern\'andez, Cristian P\'erez-Corral, Jose I. Mestre, Manuel F. Dolz, Enrique S. Quintana-Ort\'i
Abstract: Adam has been at the core of large-scale training for almost a decade, yet a simple empirical fact remains unaccounted for: both validation scores and the qualitative behaviour of the training runs improve when the momentum parameters satisfy $\beta_{1}=\beta_{2}$. Some recent studies have reported this pattern, but there is still no explanation for why this choice helps. We show that this choice is closely tied to a structural property that we refer to as \textit{gradient scale invariance}. We formalize this notion and prove that Adam becomes gradient scale invariant of first order if and only if $\beta_{1}=\beta_{2}$. This perspective places the balanced regime of Adam in direct alignment with the design principles underlying several recent optimizers that explicitly enforce scale-robust updates. The theory is supported by experiments across vision and language tasks, and across different architectural families, in which rescaling the gradient has a markedly smoother effect on the update when $\beta_{1}=\beta_{2}$. Overall, our results offer a coherent explanation for an open question in the behavior of Adam and provide a simple principle that helps guide the design of future optimizers.
Authors: Leonard Papenmeier, Petru Tighineanu
Abstract: Multi-objective optimization aims to solve problems with competing objectives. Evaluating such problems is often slow or expensive, limiting the budget of evaluations. In many applications, historical data from related optimization tasks is available and can be leveraged via meta-learning to accelerate optimization. Bayesian optimization, as a promising technique for expensive black-box problems, has been extended independently to meta-learning and multi-objective optimization, but methods that simultaneously address both settings remain largely unexplored. We propose SMOG-a scalable and modular meta-learning model based on a multi-output Gaussian process-that explicitly learns correlations between objectives. SMOG builds a structured joint Gaussian process prior across meta- and target tasks and, after conditioning on metadata, yields a closed-form prior for the target task. This construction propagates metadata uncertainty into the target surrogate in a principled way. SMOG supports hierarchical, parallel training, achieving linear scaling with the number of meta-tasks. The resulting surrogate integrates seamlessly with standard multi-objective Bayesian optimization acquisition functions. We demonstrate that our method is consistently competitive, delivering strong data efficiency across representative benchmarks and applications.
Authors: S M Ruhul Kabir Howlader, Xiao Chen, Yifei Xie, Lu Liu
Abstract: Federated learning (FL) encounters substantial challenges due to heterogeneity, leading to gradient noise, client drift, and partial client participation errors, the last of which is the most pervasive but remains insufficiently addressed in current literature. In this paper, we propose FedAdaVR, a novel FL algorithm aimed at solving heterogeneity issues caused by sporadic client participation by incorporating an adaptive optimiser with a variance reduction technique. This method takes advantage of the most recent stored updates from clients, even when they are absent from the current training round, thereby emulating their presence. Furthermore, we propose FedAdaVR-Quant, which stores client updates in quantised form, significantly reducing the memory requirements (by 50%, 75%, and 87.5%) of FedAdaVR while maintaining highly competitive model performance. We analyse the convergence behaviour of FedAdaVR under general nonconvex conditions and prove that our proposed algorithm can eliminate partial client participation error. Extensive experiments conducted on multiple datasets, under both independent and identically distributed (IID) and non-IID settings, demonstrate that FedAdaVR consistently outperforms state-of-the-art baseline methods.
Authors: Nikita P. Kalinin, Ali Najar, Valentin Roth, Christoph H. Lampert
Abstract: We study continual mean estimation, where data vectors arrive sequentially and the goal is to maintain accurate estimates of the running mean. We address this problem under user-level differential privacy, which protects each user's entire dataset even when they contribute multiple data points. Previous work on this problem has focused on pure differential privacy. While important, this approach limits applicability, as it leads to overly noisy estimates. In contrast, we analyze the problem under approximate differential privacy, adopting recent advances in the Matrix Factorization mechanism. We introduce a novel mean estimation specific factorization, which is both efficient and accurate, achieving asymptotically lower mean-squared error bounds in continual mean estimation under user-level differential privacy.
Authors: Hantong Feng, Duxin Chen, Wenwu Yu
Abstract: Temporal link prediction is crucial for rapidly growing social networks. Existing methods often overlook the underlying causal mechanisms that drive link formation, making it difficult for algorithms to adapt to complex structures that continuously evolve over time. To enable prediction models to adapt to complex temporal environments, they need to be robust to emerging structural changes. We propose a dynamic network learning framework CoDCL, which combines counterfactual-inspired augmentation with contrastive learning to address this deficiency. Furthermore, we devise a comprehensive strategy to generate high-quality counterfactual data, combining a dynamic treatments design with efficient structural neighborhood exploration to quantify the temporal changes in interaction patterns. Crucially, the entire CoDCL is designed as a plug-and-play universal module that can be seamlessly integrated into various existing temporal graph models without requiring architectural modifications. Extensive experiments conducted on multiple real-world datasets demonstrate that CoDCL significantly outperforms state-of-the-art baselines in temporal link prediction, highlighting the effectiveness of integrating counterfactual-inspired data augmentation into dynamic representation learning.
Authors: Khiem Le, Phuc Nguyen, Youssef Mroueh, Chi-Heng Lin, Shangqian Gao, Ting Hua, Nitesh V. Chawla
Abstract: Group Relative Policy Optimization (GRPO) has become the dominant method for reinforcement learning with verifiable rewards in large language models, but it suffers from two critical limitations: gradient vanishing and diversity collapse. When training questions are too easy or too hard, all sampled responses receive identical rewards, yielding zero gradients. Meanwhile, the model tends to collapse its responses toward a single reasoning pattern rather than exploring diverse strategies. We propose Transformation-Augmented GRPO (TA-GRPO), a simple but effective method that addresses both issues via question rephrasing. For each training question, we automatically generate multiple problem-equivalent rephrasings that alter wording, format, and information order while preserving the underlying meaning. Because these rephrasings shift the model's perceived difficulty, pooling responses across the original and its rephrasings yields mixed rewards and more diverse reasoning paths. TA-GRPO jointly computes advantages over this expanded response set and aligns all importance ratios to the original question, enabling the model to learn from a richer set of solution attempts. Experiments on four LLMs (Qwen3-1.7B, Qwen3-4B, Llama-3.2-1B, Llama-3.2-3B) show that TA-GRPO consistently improves pass@$k$ on competition-level benchmarks (AMC, OlympiadBench, AIME24, AIME25) and out-of-distribution benchmarks (Minerva, GPQA-Diamond). Notably, it improves the average pass@32 of Qwen3-1.7B and Qwen3-4B by \textbf{4.97} and \textbf{4.34} points, respectively, and matches the exploration quality of baselines trained on up to 2.5$\times$ more data.
Authors: Hendrik Suhr, David Kaltenpoth, Jilles Vreeken
Abstract: Root cause analysis of anomalies aims to identify how and why a sample deviates from the normal process. Existing methods primarily focus on telling which features are responsible, ignoring that anomalies can arise through two fundamentally different processes: measurement errors, where the sample is generated normally but one or more values is recorded incorrectly, and mechanism shifts, where the causal process that generated the sample was changed. While measurement errors can often be safely corrected, mechanistic anomalies require careful consideration. In this paper, we formally define a causal model that explicitly captures both types by treating outliers as latent interventions on latent ("true") and observed ("measured") variables and show under which conditions the distinction is possible. Based on this model, we develop an efficient inference procedure for localizing root causes and distinguishing anomaly types. Experiments on synthetic and real-world data show that our method provides state-of-the-art and highly robust performance in both root cause localization and classification of anomaly types.
Authors: Kunal Mukherjee, Zulfikar Alom, Tran Gia Bao Ngo, Cuneyt Gurcan Akcora, Murat Kantarcioglu
Abstract: The rise of bot accounts on social media poses significant risks to public discourse. To address this threat, modern bot detectors increasingly rely on Graph Neural Networks (GNNs). However, the effectiveness of these GNN-based detectors in real-world settings remains poorly understood. In practice, attackers continuously adapt their strategies as well as must operate under domain-specific and temporal constraints, which can fundamentally limit the applicability of existing attack methods. As a result, there is a critical need for robust GNN-based bot detection methods under realistic, constraint-aware attack scenarios. To address this gap, we introduce BOCLOAK to systematically evaluate the robustness of GNN-based social bot detection via both edge editing and node injection adversarial attacks under realistic constraints. BOCLOAK constructs a probability measure over spatio-temporal neighbor features and learns an optimal transport geometry that separates human and bot behaviors. It then decodes transport plans into sparse, plausible edge edits that evade detection while obeying real-world constraints. We evaluate BOCLOAK across three social bot datasets, five state-of-the-art bot detectors, three adversarial defenses, and compare it against four leading graph adversarial attack baselines. BOCLOAK achieves up to 80.13% higher attack success rates while using 99.80% less GPU memory under realistic real-world constraints. Most importantly, BOCLOAK shows that optimal transport provides a lightweight, principled framework for bridging the gap between adversarial attacks and real-world bot detection.
Authors: Wei Chen, Jiacheng Li, Shigui Li, Zhiqi Lin, Junmei Yang, John Paisley, Delu Zeng
Abstract: Score-based methods are powerful across machine learning, but they face a paradox: theoretically path-independent, yet practically path-dependent. We resolve this by proving that practical training objectives differ from the ideal, ground-truth objective by a crucial, overlooked term: the path variance of the score function. We propose the MVP (**M**imum **V**ariance **P**ath) Principle to minimize this path variance. Our key contribution is deriving a closed-form expression for the variance, making optimization tractable. By parameterizing the path with a flexible Kumaraswamy Mixture Model, our method learns data-adaptive, low-variance paths without heuristic manual selection. This principled optimization of the complete objective yields more accurate and stable estimators, establishing new state-of-the-art results on challenging benchmarks and providing a general framework for optimizing score-based interpolation. Our code can be found in https://github.com/Hoemr/OpenDRE.git.
Authors: Sahar Almahfouz Nasser, Juan Francisco Pesantez Borja, Jincheng Liu, Sandeep Manandhar, Shikhar Shiromani, Mohammad Tanvir Hasan, Zenghan Wang, Suman Ghosh, Jinchu Li, Xuejian Xu, Aniket Ramkrishnan Iyer, Naoto Tokuyama, Twisha Shah, Tilak Pathak, Soundharya Kumaresan, Yohei Abe, Himanshu Maurya, Anant Madabhushi
Abstract: Engineered image-based biomarkers offer a clinically interpretable alternative to black-box AI in computational pathology, yet their discovery remains largely intuition-driven, guided by fragmented literature rather than rigorous biological validation. We introduce SAGE (Structured Agentic system for hypothesis Generation and Evaluation), a multi-agent framework that grounds biomarker discovery in biological evidence through three mechanisms: (i) knowledge-graph-anchored hypothesis generation via multi-path ontological reasoning, (ii) a debate-based multi-agent novelty assessment that stress-tests candidate biomarkers against existing literature, and (iii) an end-to-end automated validation pipeline that translates hypotheses directly into executable analyses on multimodal pathology datasets. Together, these components shift biomarker discovery from an intuition-driven, literature-browsing exercise into a structured, traceable reasoning process that clinicians and researchers can inspect, trust, and build upon.
Authors: Qishuai Wen, Zhiyuan Huang, Xianghan Meng, Wei He, Chun-Guang Li
Abstract: The vanilla self-attention mechanism in Transformers can be viewed as a two-layer fast-weight MLP, whose weights are dynamically induced by inputs and whose hidden dimension is equal to the sequence length $N$. As the context extends, the expressive capacity of such an $N$-width MLP increases, but it becomes unscalable for extremely long sequences. Recently, this fast-weight perspective has motivated the Mixture-of-Experts (MoE) attention mechanism, which partitions the sequence into rigid blocks, treats them as fast-weight experts, and sparsely routes the tokens to them. In this paper, we elevate this perspective to a unifying framework for efficient attention mechanisms, interpreting them as making fast weights scalable through either routing or compression, and organizing them into a five-dimensional taxonomy. Then, we propose Mixture-of-Top-$k$ Attention (MiTA), which employs a small set of landmark queries to gather top-$k$ attended key-value pairs as query-aware and deformable routed experts, while compressing the $N$-width MLP into a narrower shared expert. Consequently, our MiTA improves the flexibility of prior MoE attention from rigid to deformable fast-weight experts, as well as the scalability of prior top-$k$ attention from query-specific set to reusable top-$k$ set. We conduct extensive experiments on vision tasks showing the superior effectiveness and efficiency of our MiTA, and also uncovering intriguing properties such as an emergent token-pruning effect and easy generalization from standard attention. Code is available at https://github.com/QishuaiWen/MiTA.
Authors: Donald Ye
Abstract: Gradient-based attribution is the workhorse of mechanistic interpretability, yet whether it reliably tracks causal importance at the component level remains largely untested. We causally evaluate this assumption across two algorithmic tasks and up to 10 random seeds, uncovering a systematic, layer-wise failure: gradient attribution consistently overvalues early-layer \textbf{Gradient Bloats} and undervalues late-layer \textbf{Hidden Heroes}. Rank correlation collapses from $\rho = 0.72$ on sequence reversal to $0.27$ on sequence sorting, reaching $\rho = -0.18$ in individual seeds. This failure stems from first-order gradient attribution's inability to detect collective redundancy: joint Bloat ablation causes $14\times$ greater damage than individual results predict. Consequently, Bloats dominate gradient rankings despite negligible functional impact, while ablating Hidden Heroes destroys OOD accuracy ($-36.4\% \pm 22.8\%$). This systematic inversion of early-layer feature extraction and late-layer computation motivates causal validation as a prerequisite for circuit-level claims.
Authors: Yiming Yang, Xiaoyuan Cheng, Yi He, Kaiyu Li, Wenxuan Yuan, Zhuo Sun
Abstract: Diffusion models have emerged as powerful learned priors for Bayesian inverse problems (BIPs). Diffusion-based solvers rely on a presumed likelihood for the observations in BIPs to guide the generation process. Likelihood misspecification is common in practical BIPs and is known to degrade recovery performance, particularly under outlier contamination. We investigate this problem by first characterizing the induced posterior deviation and proving the stability of diffusion-based solvers for linear BIPs. Our stability analysis further reveals potential robustness deficiencies of existing diffusion-based solvers under outlier-contaminated measurements. To address this issue, we propose a simple yet effective solution: robust diffusion posterior sampling, which is provably outlier-robust for linear BIPs and compatible with existing gradient-based posterior samplers. Empirical results from scientific inverse problems and natural image tasks demonstrate the effectiveness and robustness of our method, with consistent performance gains in challenging scenarios involving outlier contamination for both linear and nonlinear tasks.
Authors: Antonino Emanuele Scurria
Abstract: Backpropagation is typically presented as a symbolic procedure: a backward pass topologically distinct from inference, with non-local error signals and synchronous global clocking, features with no clear analog in physical reality. Existing physics-inspired alternatives recover gradients only approximately, in vanishing-perturbation limits, or under weight-symmetry constraints incompatible with feedforward architectures. In this paper, we address this gap by deriving exact backpropagation from Hamilton's least-action principle. By recasting the forward dynamics in continuous time and adapting a Lagrangian formalism for non-conservative systems to the resulting flow, we unify inference and gradient computation within a single variational framework on a doubled phase space, whose two conjugate fields jointly encode activations and sensitivities. A single global Lagrangian governs the dynamics: the task loss enters as a symmetry-breaking perturbation of the forward manifold, and credit assignment emerges as the tension that develops between the conjugate states. Inference and gradient computation thus unfold simultaneously through local interactions, requiring no separate backward circuit. Ultimately, standard backpropagation is recovered exactly as the discrete-time projection of this continuous flow. This perspective unifies the formalism of physics with backpropagation, opening a principled pathway for applying tools from classical mechanics - symplectic geometry, Noether's theorem, path-integral methods - to the analysis of learning dynamics. As a downstream consequence, it also points toward analog and neuromorphic substrates in which learning is embodied in the hardware itself.
Authors: Dulhan Jayalath, Oiwi Parker Jones
Abstract: Clinical brain-to-text interfaces are designed for paralysed patients who cannot provide extensive training recordings. Pre-training improves data-efficient generalisation by learning statistical priors across subjects, but these priors critically depend on context. While natural speech might unfold gradually over minutes, most methods pre-train with only a few seconds of context. Thus, we propose MEG-XL, a model pre-trained with 2.5 minutes of MEG context per sample, 5-300x longer than prior work, and equivalent to 191k tokens, capturing extended neural context. Fine-tuning on the task of word decoding from brain data, MEG-XL matches supervised performance with a fraction of the data (e.g. 1hr vs 50hrs) and outperforms brain foundation models. We find that models pre-trained with longer contexts learn representations that transfer better to word decoding. Our results indicate that long-context pre-training helps exploit extended neural context that other methods unnecessarily discard. Code, model weights, and instructions are available at https://github.com/neural-processing-lab/MEG-XL .
Authors: Jonas Petersen, Camilla Mazzoleni, Gian-Alessandro Lombardi, Federico Martelli, Riccardo Maggioni
Abstract: What structural inductive bias helps transformers reason over knowledge graphs? Through controlled ablations of a minimal transformer modification with four independently removable components (sparse adjacency masking, edge-type biases, query scaling, value gating), we isolate which structural signals drive multi-hop reasoning. Our finding is sharp: sparse adjacency masking alone accounts for the dominant share of improvement over unmasked transformers (+72.5pp on 3-hop MetaQA, +45.5pp on WebQSP, +53.9pp on CWQ), while learned relation parameters add only modest refinement and can actively hurt without structural guidance. A zero-shot experiment provides architecturally independent corroboration: masking-based attention degrades 4.0x less than relation-specific weights when edge types are held out. The useful inductive bias for multi-hop KGQA is predominantly topological, not relational.
Authors: Wenquan Lu, Hai Huang, Enqi Liu, Randall Balestriero
Abstract: Reinforcement learning algorithms such as group-relative policy optimization (GRPO) have shown strong potential for improving the mathematical reasoning capabilities of large language models. While a growing body of work seeks to improve training entropy, rollout diversity, and exploration, most existing methods still train models with a single fixed reasoning prompt or template, which can encourage prompt-specific overfitting and unstable training dynamics. In this work, we introduce Prompt Augmented Policy Optimization (PrAg-PO), a simple policy optimization method that mixes prompt templates with template-specific format rewards during training. By encouraging models to generate reasoning traces under diverse instructions and output formats, PrAg-PO increases rollout diversity and improves robustness. Compared with GRPO and DAPO, PrAg-PO achieves significantly higher reasoning accuracy while mitigating premature training collapse. Empirically, experiments on DeepSeek-R1-Distill-Qwen-1.5B, Qwen2.5-Math-1.5B, and Qwen3-1.7B show that PrAg-PO consistently outperforms strong baselines and achieves competitive performance against recent methods on mathematics benchmarks, using only a fixed MATH Level 3-5 training set of 8.5K problems. The code and model checkpoints are available at https://github.com/wenquanlu/PrAg-PO.
Authors: Zhenshuo Zhang, Minxuan Duan, Hongyang R. Zhang
Abstract: Modern AI agents such as large language models are trained on diverse tasks -- translation, code generation, mathematical reasoning, and text prediction -- simultaneously. A key question is how to quantify the influence of each individual training task on performance on a target task, a problem we refer to as task attribution. The direct approach, leave-one-out retraining, measures the effect of removing each task, but is computationally infeasible at scale. An alternative approach that builds surrogate models to predict the performance on a target task for any subset of training tasks has emerged in the recent literature. Prior work focuses on linear surrogate models, which capture first-order relationships but miss nonlinear interactions such as XOR-type effects. In this paper, we first consider a unified task-weighting framework for analyzing task-attribution methods and establish a new connection between linear surrogate models and influence functions via a second-order analysis. Then, we introduce kernel surrogate models, which more effectively represent second-order task interactions. To efficiently learn the kernel surrogate, we develop a gradient-based estimation procedure that leverages a first-order approximation of pretrained models; empirically, this yields accurate surrogate estimates with less than $2\%$ relative error without repeated retraining. Experiments across multiple settings -- including mathematical reasoning in transformers, in-context learning, and multi-objective reinforcement learning -- demonstrate the effectiveness of kernel surrogate models. They achieve a $25\%$ higher correlation with the leave-one-out ground truth than linear surrogates and influence-function baselines, enabling more accurate and scalable task attribution. When used for downstream data selection, kernel surrogate models further yield a $40\%$ improvement in the aforementioned settings.
Authors: Huahua Lin, Katayoun Farrahi, Xiaohao Cai
Abstract: Understanding how neural representations respond to geometric transformations is essential for evaluating whether learned features preserve meaningful spatial structure. Existing approaches primarily assess robustness primarily by comparing model outputs under transformed inputs, offering limited insight into how geometric information is organized within internal representations and failing to distinguish between information loss and re-encoding. In this work, we introduce SEIS (Subspace-based Equivariance and Invariance Scores), a subspace metric for analyzing layer-wise feature representations under geometric transformations, disentangling equivariance from invariance without requiring labels or explicit knowledge of the transformation. Through controlled experiments across diverse architectures, we uncover several consistent patterns. First, convolutional encoders exhibit a depth-wise transition from strong equivariance to increasing invariance, with both properties stabilizing within the first few training epochs. In segmentation decoders, however, equivariance tends to recover in later layers. Second, this trade-off is not intrinsic but is shaped by training decisions: data augmentation actively strengthens both equivariance and invariance simultaneously, and multi-task learning induces synergistic gains in both properties beyond what either task achieves alone. Extending our analysis beyond convolutional networks, we find that transformer-based models exhibit distinct geometric behaviors, while MLP-Mixers display intermediate characteristics.
Authors: Dario Fenoglio, Arianna Casanova, Francesco De Santis, Gabriele Dominici, Johannes Schneider, Pietro Barbiero, Giovanni De Felice, Marc Langheinrich, Martin Gjoreski
Abstract: Concept-based Models (CMs) enhance interpretability in deep learning by grounding predictions in human-understandable concepts. However, concept annotations are costly and rarely available at scale within a single data source. Federated Learning (FL) could alleviate this limitation by enabling cross-institutional training over concept annotations distributed across multiple data owners. Yet, FL lacks interpretable modeling paradigms. Integrating CMs with FL is non-trivial: although FL supports heterogeneous and non-stationary client participation, it typically assumes a fixed shared architecture, whereas CMs may require architectural adaptation as the available concept set evolves. We propose Federated Concept-based Models (F-CMs), a new methodology for deploying CMs in evolving FL settings. F-CMs aggregate concept-level information across institutions and efficiently adapt the model architecture to changes in concept supervision while preserving privacy. Empirically, F-CMs maintain accuracy and intervention effectiveness comparable to training settings with full concept supervision, while outperforming on average non-adaptive federated baselines. Notably, F-CMs enable interpretable inference on concepts unavailable to a given institution, a key novelty over existing approaches.
Authors: Xiaoyu Qiu, Taewon Yang, Zhanhao Liu, Guanyang Wang, Liyue Shen
Abstract: Uncertainty evaluation is critical in scientific and engineering inverse problems. However, existing benchmarks on Diffusion Inverse Solvers (DIS) primarily focus on reconstruction accuracy but overlook uncertainty and distributional behavior. Since stochastic inverse solvers represent uncertainty through diffusion-based posterior samples, evaluating how well their generated samples capture the target posterior distribution becomes an important aspect of uncertainty quantification. To address this limitation and better understand the distributional behavior of diffusion samplers, we conduct a systematic study to investigate the posterior fidelity of a broad range of existing DIS methods in controlled simulation settings with a known analytical true posterior. Furthermore, to enable posterior-aware evaluation on real-world inverse problems where ground-truth posterior is unavailable, we propose score-based Kernel Stein Discrepancy (score-KSD), a theoretically-grounded and ground-truth-free metric that measures the consistency of the distribution of generated samples from a DIS method with the target posterior score field, induced by the forward model and learned diffusion prior. Through both simulation experiments and real-world inverse problem solving, we validate the effectiveness of the proposed score-KSD and demonstrate that it provides meaningful posterior fidelity diagnostics beyond reconstruction accuracy, revealing that higher reconstruction accuracy does not necessarily imply better posterior consistency.
Authors: Jinjin Chi, Taoping Liu, Mengtao Yin, Ximing Li, Yongcheng Jing, Jialie Shen, Leszek Rutkowski, Dacheng Tao
Abstract: Disentangled representation learning aims to capture the underlying explanatory factors of observed data, enabling a principled understanding of the data-generating process. Recent advances in generative modeling have introduced new paradigms for learning such representations. However, existing diffusion-based methods encourage factor independence via inductive biases, yet frequently lack strong semantic alignment. In this work, we propose a flow matching-based framework for disentangled representation learning, which casts disentanglement as learning factor-conditioned flows in a compact latent space. To enforce explicit semantic alignment, we introduce a non-overlap (orthogonality) regularizer that suppresses cross-factor interference and reduces information leakage between factors. Extensive experiments across multiple datasets demonstrate consistent improvements over representative baselines, yielding higher disentanglement scores as well as improved controllability and sample fidelity.
Authors: Boxiang Zhang, Baijian Yang
Abstract: Transformers achieve strong accuracy but incur high compute and memory cost. Structured pruning reduces inference cost, but most methods rely on retraining or multi-stage optimization, which limits post-training deployment. We propose CORP, a closed-form one-shot structured pruning method that removes MLP dimensions and attention substructures using only unlabeled calibration data without gradients or fine-tuning. CORP formulates structured pruning as a representation recovery problem. It models removed components as affine functions of retained components and derives closed-form ridge regression solutions that fold compensation into model weights. This minimizes a layer-local affine/logit reconstruction objective under the calibration distribution. Experiments on ImageNet with DeiT reveal strong redundancy in both MLP and attention representations. With CORP, models retain high accuracy under aggressive sparsity. On DeiT-Huge, CORP achieves 83.27% Top-1 accuracy after pruning 50\% of both MLP and attention structures.
Authors: Seohyeon Cha, Huancheng Chen, Dongjun Kim, Haoran Zhang, Kevin Chan, Gustavo de Veciana, Haris Vikalo
Abstract: Post-training quantization (PTQ) enables efficient deployment of large language models by mapping pretrained weights to low-bit formats without retraining, typically using a small calibration set to minimize a layer-wise calibration objective. However, this sequential procedure induces a mismatch: errors from earlier quantized layers alter the inputs received by later layers, causing the activations to deviate from those of the full-precision model. Recent approaches introduce mismatch-aware calibration objectives to compensate for this effect, but leave open how much of the observed mismatch should shift each layer's calibration target. Fully applying this correction can overfit limited calibration data, while scaling the mismatch correction with a fixed coefficient ignores varying reliability of mismatch estimates across layers. To address these limitations, we propose CoreQ, a learning-free PTQ framework that applies a closed-form coefficient for mismatch correction derived from a geometric decomposition of the mismatch. The resulting coefficient adapts the correction across layers, reduces overfitting to finite calibration data, and requires no hyperparameter tuning. Given the corrected target, CoreQ minimizes the induced triangular least-squares objective with an efficient greedy successive-rounding solver and a bounded beam-search extension, K-CoreQ, that trades modest additional compute for improved performance. Across multiple LLM families, scales, bit-widths, and quantization settings, CoreQ improves perplexity and downstream accuracy over strong PTQ baselines.
Authors: Rajdeep Haldar, Lantao Mei, Guang Lin, Yue Xing, Qifan Song
Abstract: Recent work shows that preference alignment objectives can be interpreted as divergence estimators between aligned (preferred) & unaligned (less-preferred) distributions, yielding a principled recipe for designing alignment losses. However, this view has so far been limited to preference-based supervision. We extend it to general LLM alignment, including reinforcement learning with verifiable rewards (RLVR), where alignment feedback is given only as scalar rewards. We introduce $f$-Group Relative Policy Optimization ($f$-GRPO), a class of on-policy RL objectives, and $f$-Hybrid Alignment Loss ($f$-HAL), which combines on-policy reward optimization with off-policy preference supervision. We show that these objectives estimate $f$-divergences between reward-aligned & reward-unaligned distributions induced by above- & below-average reward responses, and prove expected reward improvement after alignment. Empirically, $f$-GRPO improves over GRPO on math-reasoning RLVR tasks, while hybrid $f$-HAL mitigates reward hacking in on-policy safety alignment when verifiable rewards are unavailable and learned reward models must be used.
Authors: Tingkai Jia, Haiguang Wang, Cheng Chen
Abstract: Online bilevel optimization (OBO) has emerged as a powerful framework for many machine learning problems. Prior works have developed several algorithms that minimize the standard bilevel local regret or the window-averaged bilevel local regret of the OBO problem, but the optimality of existing regret bounds remains unclear. In this work, we establish optimal regret bounds for both settings. For standard bilevel local regret, we propose an algorithm with adaptive iteration strategy that achieves the optimal regret $\Omega(1+V_T)$ with at most $O(T\log T)$ total inner-level gradient evaluations. We further develop a fully single-loop algorithm whose regret bound includes an additional gradient-variation terms. For the window-averaged bilevel local regret, we design an algorithm that captures linear environmental variation through a novel window-based analysis and achieves the optimal regret $\Omega(T/W^2)$. The algorithm also supports an efficient single-loop structure, achieving an $O(T/W)$ regret bound with $O(WT)$ total gradient evaluations. Experiments validate our theoretical findings and demonstrate the practical effectiveness of the proposed methods.
Authors: Jan Benad, Pradeep Kr. Banerjee, Frank R\"oder, Nihat Ay, Martin V. Butz, Manfred Eppe
Abstract: Zero-shot generalization in contextual reinforcement learning remains a core challenge, particularly when the context is latent and must be inferred from data. A canonical failure mode arises when latent context discontinuously changes how actions affect the environment, requiring incompatible control responses across contexts. We propose DMA*-SH, a framework where a single hypernetwork, trained solely via dynamics prediction, generates a small set of adapter weights shared across the dynamics model, policy, and action-value function. This shared modulation imparts an inductive bias matched to discontinuous context-to-dynamics shifts, while input/output normalization and random input masking stabilize context inference, promoting directionally concentrated representations. We provide theoretical support via expressivity separation results for hypernetwork modulation, and a variance decomposition with policy-gradient variance bounds that formalize how within-mode compression improves learning under non-overlapping contexts. For evaluation, we introduce the Actuator Inversion Benchmark (AIB), a suite of environments designed to isolate challenging context-to-dynamics interactions, including actuator inversion, actuator permutations, and weakly non-overlapping continuous dynamics. On AIB's held-out tasks, DMA*-SH achieves zero-shot generalization, outperforming domain randomization by 58.1% and surpassing a standard context-aware baseline by 11.5% on average.
Authors: Rishabh Jain, Keisuke Okumura, Michael Amir, Pietro Lio, Amanda Prorok
Abstract: Multi-Agent Path Finding (MAPF) is a representative multi-agent coordination problem, where multiple agents are required to navigate to their respective goals without collisions. Solving MAPF optimally is known to be NP-hard, leading to the adoption of learning-based approaches to alleviate the online computational burden. Prevailing approaches, such as Graph Neural Networks (GNNs), are typically constrained to pairwise message passing between agents. However, this limitation leads to suboptimal behaviours and critical issues, such as attention dilution, particularly in dense environments where group (i.e. beyond just two agents) coordination is most critical. Despite the importance of such higher-order interactions, existing approaches have not been able to fully explore them. To address this representational bottleneck, we introduce HMAGAT (Hypergraph Multi-Agent Attention Network), a novel architecture that leverages attentional mechanisms over directed hypergraphs to explicitly capture group dynamics. Empirically, HMAGAT establishes a new state-of-the-art among learning-based MAPF solvers: e.g., despite having just 1M parameters and being trained on 100$\times$ less data, it outperforms the current SoTA 85M parameter model. Through detailed analysis of HMAGAT's attention values, we demonstrate how hypergraph representations mitigate the attention dilution inherent in GNNs and capture complex interactions where pairwise methods fail. Our results illustrate that appropriate inductive biases are often more critical than the training data size or sheer parameter count for multi-agent problems.
Authors: Joshua Ward, Chi-Hua Wang, Guang Cheng
Abstract: Synthetic tabular data has gained attention for enabling privacy-preserving data sharing. While substantial progress has been made in single-table synthetic generation where data are modeled at the row or item level, most real-world data exists in relational databases where a user's information spans items across multiple interconnected tables. Recent advances in synthetic relational data generation have emerged to address this complexity, yet release of these data introduce unique privacy challenges as information can be leaked not only from individual items but also through the relationships that comprise a complete user entity. To address this, we propose a novel Membership Inference Attack (MIA) setting to audit the empirical user-level privacy of synthetic relational data and show that single-table MIAs that audit at an item level underestimate user-level privacy leakage. We then propose Multi-Table Membership Inference Attack (MT-MIA), a novel adversarial attack under a No-Box threat model that targets learned representations of user entities via Heterogeneous Graph Neural Networks. By incorporating all connected items for a user, MT-MIA better targets user-level vulnerabilities induced by inter-tabular relationships than existing attacks. We evaluate MT-MIA on a range of real-world multi-table datasets and demonstrate that this vulnerability exists in state-of-the-art relational synthetic data generators, employing MT-MIA to additionally study where this leakage occurs.
Authors: Samuel Daulton, David Eriksson, Maximilian Balandat, Eytan Bakshy
Abstract: Bayesian optimization (BO) is a popular technique for sample-efficient optimization of black-box functions. In many applications, the parameters being tuned come with a carefully engineered default configuration, and practitioners only want to deviate from this default when necessary. Standard BO, however, does not aim to minimize deviation from the default and, in practice, often pushes weakly relevant parameters to the boundary of the search space. This makes it difficult to distinguish between important and spurious changes and increases the burden of vetting recommendations when the optimization objective omits relevant operational considerations. We introduce BONSAI, a default-aware BO policy that prunes low-impact deviations from a default configuration while explicitly controlling the loss in acquisition value. BONSAI is compatible with a variety of acquisition functions, including expected improvement and upper confidence bound (GP-UCB). We theoretically bound the regret incurred by BONSAI, showing that, under certain conditions, it enjoys the same no-regret property as vanilla GP-UCB. Moreover, assuming known ARD lengthscales -- the same assumption underlying GP-UCB regret bounds -- BONSAI provably recovers the relevant-coordinate set at zero acquisition cost, yielding a method that matches the GP-UCB regret rate while recovering the minimal-$\ell_0$ solution -- a guarantee not provided by prior sparse-BO methods. Across many real-world applications, we empirically find that BONSAI substantially reduces the number of non-default parameters in recommended configurations while maintaining competitive optimization performance, with little effect on wall time -- averaging only $1.5\times$ the candidate-generation cost of standard BO, compared to $7$-$34\times$ on average for prior sparse-BO methods (IR, ER, and SEBO).
Authors: Heiko Hoppe, Fabian Akkerman, Wouter van Heeswijk, Maximilian Schiffer
Abstract: Reinforcement Learning (RL) is increasingly applied to large-scale decision-making problems like logistics, scheduling, and recommender systems, but existing algorithms struggle with the curse of dimensionality in such large discrete action spaces. We propose Distance-Guided Reinforcement Learning (DGRL), combining Sampled Dynamic Neighborhoods and Distance-Based Updates to enable efficient RL in problems with up to $10^{20}$ actions. Unlike prior methods, DGRL performs stochastic volumetric exploration and transforms policy optimization into a stable regression task, decoupling gradient variance from action space cardinality. On structured tasks, DGRL provably guarantees local value improvement. DGRL naturally generalizes to hybrid continuous-discrete action spaces. We demonstrate performance improvements of up to 66% against state-of-the-art benchmarks across regularly and irregularly structured environments, while simultaneously improving convergence speed and computational complexity.
Authors: Dario Fenoglio, Pasquale Polverino, Jacopo Quizi, Martin Gjoreski, Akash Dhasade, Marc Langheinrich
Abstract: Scaling Federated Learning (FL) to billion-parameter models forces a challenging trade-off between privacy, scalability, and model utility. Existing solutions often tackle these challenges in isolation, sacrificing accuracy, relying on costly cryptographic tools, or introducing communication and optimization inefficiencies that affect convergence. We introduce ERIS, an FL framework centered on Federated Shard Aggregation (FSA), a novel mechanism that partitions each client update into non-overlapping shards whose aggregation is distributed across multiple client-side aggregators. FSA removes the central aggregation bottleneck, limits the information visible to any single observer, and preserves the centralized FL update after reassembly. ERIS can further readily integrate Distributed Shifted Compression (DSC) to reduce transmitted payloads and exposed coordinates. We prove that ERIS preserves convergence under standard assumptions and bounds mutual information leakage by the observable fraction of each update, decreasing with the number of client-side aggregators, and with the compression level when DSC is enabled. Experiments across image and text tasks, including large language models, show that ERIS achieves FedAvg-level utility while substantially reducing communication bottlenecks and improving robustness to membership inference and reconstruction attacks, without relying on heavy cryptography or utility-degrading perturbations.
Authors: Yuchong Zhang, Vardan Papyan
Abstract: Transformers update token representations through multi-head attention and residual connections as $X \leftarrow X + \sum_{i} P^{(i)}XW_{V_i}W_{o_i}$, where $P^{(i)}$ is the softmax attention matrix in head $i$. We propose replacing a subset of $P^{(i)}$'s with the Laplacian $I - P^{(i)}$, giving $X \leftarrow X + \sum_{i \in \mathcal{A}} P^{(i)}XW_{V_i}W_{o_i} + \sum_{i \in \mathcal{L}} (I - P^{(i)})XW_{V_i}W_{o_i}$. Our proposal has two motivations. First, it allows attention heads to update the mean of token representations, while Laplacian heads can directly control within-sequence variance. Second, if tokens are viewed as nodes in a graph with edge weights $P^{(i)}$, then $I - P^{(i)}$ is the corresponding graph Laplacian, and the update can be interpreted as one step of heat diffusion on the graph. We show that this simple modification improves performance across supervised learning, language modeling, and self-supervised learning tasks. To investigate why, we examine the token representations learned with and without Laplacian heads. In supervised learning, Laplacian heads collapse token representations within the same sequence and align the sequence means with the geometry of Neural Collapse. In language modeling, they increase the separability of token representations that share the same next-token prediction. In self-supervised learning, they produce token representations whose principal components are better suited for segmentation. Across modalities, they also lead to faster-decaying spectra, indicating stronger token smoothing. Overall, our findings challenge the prevailing view that token oversmoothing is inherently harmful, showing instead that certain forms of smoothing can be beneficial.
Authors: Ya-Chi Chu, Alkiviades Boukas, Madeleine Udell
Abstract: Neural networks are increasingly used as fast surrogate models across various domains, but unconstrained predictions can violate physical, operational, or safety requirements. We propose SnareNet, a feasibility-controlled architecture to learn mappings whose outputs must satisfy input-dependent constraints. SnareNet appends a differentiable repair layer that navigates in the constraint map's range space, steering iterates toward feasibility and producing a repaired output that satisfies constraints to a user-specified tolerance. We stabilize end-to-end training by adaptive relaxation, a new training paradigm that snares the neural network at initialization and shrinks it into the feasible set, enabling early exploration and strict feasibility later in training. On optimization learning and trajectory planning benchmarks, SnareNet consistently attains improved objective quality while satisfying constraints more reliably than prior work, and it is the first to enforce non-convex constraints at medium-to-high precision robustly across instances.
Authors: Xenia Heilmann, Luca Corbucci, Mattia Cerrato
Abstract: The Rashomon set captures the collection of models that achieve near-identical empirical performance yet may differ substantially in their decision boundaries. Understanding the differences among these models, i.e., their multiplicity, is recognized as a crucial step toward model transparency, fairness, and robustness, as it reveals decision boundaries instabilities that standard metrics obscure. However, the existing definitions of Rashomon set and multiplicity metrics assume centralized learning and do not extend naturally to decentralized, multi-party settings like Federated Learning (FL). In FL, multiple clients collaboratively train models under a central server's coordination without sharing raw data, which preserves privacy but introduces challenges from heterogeneous client data distribution and communication constraints. In this setting, the choice of a single best model may homogenize predictive behavior across diverse clients, amplify biases, or undermine fairness guarantees. In this work, we provide the first formalization of Rashomon sets in FL.First, we adapt the Rashomon set definition to FL, distinguishing among three perspectives: (I) a global Rashomon set defined over aggregated statistics across all clients, (II) a t-agreement Rashomon set representing the intersection of local Rashomon sets across a fraction t of clients, and (III) individual Rashomon sets specific to each client's local distribution.Second, we show how standard multiplicity metrics can be estimated under FL's privacy constraints. Finally, we introduce a multiplicity-aware FL pipeline and conduct an empirical study on standard FL benchmark datasets. Our results demonstrate that all three proposed federated Rashomon set definitions offer valuable insights, enabling clients to deploy models that better align with their local data, fairness considerations, and practical requirements.
Authors: Ruishan Guo, Yibing Liu, Guoxin Ma, Yan Wang, Yueyang Zhang, Long Xia, Kecheng Chen, Zhiyuan Sun, Daiting Shi
Abstract: Scaling up model parameters has long been a prevalent training paradigm driven by the assumption that larger models yield superior generation capabilities. However, under lossy context compression in a compressor--decoder setup, we find a \textbf{\textit{Size-Fidelity Paradox}}: increasing compressor size can lessen the faithfulness of reconstructed contexts though reconstruction error decreases. Across 27 compressor setups spanning model families, scales, and compression rates, we coin this paradox arising from two dominant factors: 1) \textit{knowledge overwriting}: larger models increasingly replace source facts with their own prior beliefs, \textit{e.g.}, ``the white strawberry`` $\to$ ``the red strawberry``; and 2) \textit{semantic drift}: larger models tend to paraphrase or restructure content instead of reproducing it verbatim, \textit{e.g.}, ``Alice hit Bob`` $\to$ ``Bob hit Alice``. Interestingly, this paradox persists across varied settings, with mid-sized compressors often outperforming larger ones in faithful recovery. By analyzing the compressed memory via embedding geometry and reconstruction determinacy, we further reveal that compressors tend to organize memory across broader semantic subspaces, yielding more ambiguous representations prone to overwriting, drift, and weakened recovery. These findings complement existing evaluations of context compression and expose a breakdown of scaling laws when the objective shifts from plausible generation to faithful preservation.
Authors: Matteo Castiglioni, Anna Lunghi, Alberto Marchesi
Abstract: We study the sample complexity of learning a uniform approximation of an $n$-dimensional cumulative distribution function (CDF) within an error $\epsilon > 0$, when observations are restricted to a minimal one-bit feedback. This serves as a counterpart to the multivariate DKW inequality under ''full feedback'', extending it to the setting of ''bandit feedback''. Our main result shows a near-dimensional-invariance in the sample complexity: we get a uniform $\epsilon$-approximation with a sample complexity $\frac{1}{\epsilon^3}{\log\left(\frac 1 \epsilon \right)^{\mathcal{O}(n)}}$ over a arbitrary fine grid, where the dimensionality $n$ only affects logarithmic terms. As direct corollaries, we provide tight sample complexity bounds and novel regret guarantees for learning fixed-price mechanisms in small markets, such as bilateral trade settings.
Authors: Tingkai Jia, Cheng Chen
Abstract: In this work, we study nonconvex-strongly convex online bilevel optimization (OBO) using only first-order oracle. Existing OBO algorithms are mainly based on hypergradient descent, which requires access to a Hessian-vector product (HVP) oracle and potentially incurs high computational costs. By reformulating the original OBO problem as a single-level online problem with inequality constraints and constructing a sequence of Lagrangian function, we eliminate the need for HVPs arising from implicit differentiation. Specifically, we propose a fully first-order algorithm for OBO, and provide theoretical guarantees showing that it achieves regret of $O(1 + V_T + H_{2,T})$ with a total of $O(T\log T)$ iterations, where $V_T$ measures the variation in function values and $H_{2,T}$ characterizes the drift variation of the inner-level optimal solution. We also establish a sublinear regret bound under the single-loop structure by introducing additional gradient-variation terms. Furthermore, we develop an improved variant with an adaptive inner-iteration scheme, which removes the dependence on $H_{2,T}$ and achieves regret of $O(\log T + V_T)$. Finally, under the stochastic OBO setting, we establish the regret bound for the fully first-order algorithm, i.e., $O(T^{2/3}(1 + \sigma^2) + V_T + H_{2,T})$. Numerical experiments demonstrate the feasibility of our algorithm and support our theoretical findings.
Authors: Justin Gu, Rishabh Ranjan, Charilaos Kanatsoulis, Haiming Tang, Martin Jurkovic, Valter Hudovernik, Mark Znidar, Pranshu Chaturvedi, Parth Shroff, Fengyu Li, Jure Leskovec
Abstract: Relational deep learning (RDL) has emerged as a powerful paradigm for learning directly on relational databases by modeling entities and their relationships across multiple interconnected tables. As this paradigm evolves toward larger models and relational foundation models, scalable and realistic benchmarks are essential for enabling systematic evaluation and progress. In this paper, we introduce RelBench v2, a major expansion of the RelBench benchmark for RDL. RelBench v2 adds four large-scale relational datasets spanning scholarly publications, enterprise resource planning, consumer platforms, and clinical records, increasing the benchmark to 11 datasets comprising over 22 million rows across 29 tables. We further introduce autocomplete tasks, a new class of predictive objectives that require models to infer missing attribute values directly within relational tables while respecting temporal constraints, expanding beyond traditional forecasting tasks constructed via SQL queries. In addition, RelBench v2 expands beyond its native datasets by integrating external benchmarks and evaluation frameworks: we translate event streams from the Temporal Graph Benchmark into relational schemas for unified relational-temporal evaluation, interface with ReDeLEx to provide uniform access to 70+ real-world databases suitable for pretraining, and incorporate 4DBInfer datasets and tasks to broaden multi-table prediction coverage. Experimental results demonstrate that RDL models consistently outperform single-table baselines across autocomplete, forecasting, and recommendation tasks, highlighting the importance of modeling relational structure explicitly.
Authors: Fei Wu, Jia Hu, Geyong Min, Shiqiang Wang
Abstract: Federated low-rank adaptation (FedLoRA) has facilitated communication-efficient and privacy-preserving fine-tuning of foundation models for downstream tasks. In practical federated learning scenarios, client heterogeneity in system resources and data distributions motivates the use of heterogeneous LoRA ranks across clients. However, we identify a previously overlooked phenomenon in heterogeneous FedLoRA with SVD-based allocation, termed rank collapse, where the energy of the global update becomes concentrated in the minimum shared rank, resulting in suboptimal performance and high sensitivity to rank configurations. Through theoretical analysis, we reveal the root cause of rank collapse: a mismatch between rank-agnostic aggregation weights and rank-dependent client contributions, which systematically suppresses higher-rank updates at a geometric rate over rounds. Motivated by this insight, we propose raFLoRA, a rank-partitioned aggregation method that decomposes local updates into rank partitions and then aggregates each partition weighted by its effective client contributions. Extensive experiments across vision, language, and reasoning tasks show that raFLoRA prevents rank collapse, improves model performance, and enhances robustness across diverse heterogeneous configurations compared with strong FedLoRA baselines.
Authors: ZhiMing Li, JiaHe Feng
Abstract: We study eigendecomposition on $SO(n)$ under streaming observations $C_k = C_{\mathrm{sig}} + \sigma_k^2 I + E_k$, where the isotropic background $\sigma_k^2 I$ may be time-varying and arbitrarily large. Standard algorithms couple their stability to $\lVert C_k \rVert_2 \approx \sigma^2$, forcing step sizes, contraction rates, and iteration counts to degrade with the noise floor. We observe that $\sigma^2 I$ lies in the center of the matrix algebra and therefore *should never enter* the eigenspace dynamics. We construct a discrete double-bracket flow whose skew-symmetric generator $\Omega = [A, \operatorname{diag}(A)]$ operates in the tangent Lie algebra $\mathfrak{so}(n)$, where scalar multiples of the identity vanish by antisymmetry. The resulting trajectory, Lyapunov function, and maximal stable step size $\eta_{\max} = 1/L_C$ depend exclusively on the trace-free signal $C_e$ -- achieving pointwise, pathwise $\sigma^2$-invariance. We establish input-to-state stability with a noise ball governed solely by trace-free perturbations, prove global convergence via strict-saddle geometry and a discrete {\L}ojasiewicz argument, and extend the framework to top-$k$ eigentracking on the Stiefel manifold $\operatorname{St}(k,n)$ at cost $k$ matrix-vector products per step.
Authors: Thomas Michel, Debabrota Basu, Emilie Kaufmann
Abstract: Modern AI models are not static. They go through multiple updates in their lifecycles. We propose to design Sequential Membership Inference (SeMI) attacks leading to tighter privacy audits by exploiting the sequence of models and injecting a target canary at a controlled insertion time. First, for empirical mean computation, we develop SeMI*, an {optimal SeMI attack to identify the presence of a target inserted at a specific insertion step}. We derive the power of SeMI* to show that accessing the model sequence yields more powerful MI attacks than scrutinising only the final model. SeMI* exhibits an isolation property -- its power depends on the statistics obtained right before and after insertion of the target. Leveraging this insight, we develop practical white-box (accessing model gradients) and black-box (accessing loss) SeMI attacks against models trained with (DP-)SGD. Across datasets and models trained with (DP-)SGD, our experiments show that SeMI attacks achieve higher powers than snapshot-independent baselines, and yield tighter privacy audits thanks to (a) control over the insertion time and (b) observations across the model sequence.
Authors: Jingying Ma, Feng Wu, Yucheng Xing, Qika Lin, Tianyu Liu, Chenyu Liu, Ziyu Jia, Mengling Feng
Abstract: Electroencephalography (EEG) foundation models (EFMs) have shown strong potential for transferable representation learning, yet their adaptation in realistic settings remains challenging when only a few labeled subjects are available. We show that this challenge stems from a structural mismatch between noisy, limited supervision and the highly plastic parameter space of EFMs, reflected in three key failure modes: overconfident miscalibration, prediction collapse, and representation drift caused by unconstrained parameter updates. To address these challenges, we propose SCOPE, a Structured COnfidence-aware Prototype-guided framework for label-limited EFM adaptation. SCOPE first constructs cohort-level external supervision to provide persistent guidance and further derives confidence-aware pseudo-labels to select reliable unlabeled samples for adaptation. Building on the constructed external supervision, SCOPE introduces ProAdapter, a lightweight prototype-conditioned adapter that modulates frozen EFMs to preserve pretrained representations. Experiments across 50 label-limited adaptation settings, covering 6 EEG tasks, 5 EFM backbones, and 5%-50% training labeled-subject ratios, show that SCOPE consistently achieves strong performance and efficiency.
Authors: Jian Qian, Shu Ge
Abstract: Despite the widespread use of boosting in structured prediction, a general theoretical understanding of aggregation beyond scalar prediction remains incomplete. We study vector-valued prediction under a target divergence and identify a geometric stability property under which aggregation amplifies weak guarantees into strong ones. We formalize this property as $(\alpha,\beta)$-stability by geometric median and show how it supports a boosting framework based on exponential reweighting and geometric-median aggregation. For vector-valued prediction, we characterize this stability property under several natural divergences: $\ell_1$ and $\ell_2$ distances for unconstrained vector-valued prediction, and TV, Hellinger, and KL for density estimation over finite probability vectors. Building on these results, we propose a generic boosting framework \geomedboost. Under a weak learner condition and $(\alpha,\beta)$-stability, we obtain exponential decay of the empirical divergence error, which then yields population guarantees through a generalization bound.
Authors: Yining Hong, Huang Huang, Manling Li, Li Fei-Fei, Leonidas Guibas, Jiajun Wu, Yejin Choi
Abstract: Embodied LLMs endow robots with high-level task reasoning, but they cannot reflect on what went wrong or why, turning deployment into a sequence of independent trials where mistakes repeat rather than accumulate into experience. Drawing upon human reflective practitioners, we introduce Reflective Test-Time Planning, which integrates two modes of reflection: \textit{reflection-in-action}, where the agent uses test-time scaling to generate and score multiple candidate actions using internal reflections before execution; and \textit{reflection-on-action}, which uses test-time training to update both its internal reflection model and its action policy based on external reflections after execution. We also include retrospective reflection, allowing the agent to re-evaluate earlier decisions and perform model updates with hindsight for proper long-horizon credit assignment. Experiments on our newly-designed Long-Horizon Household benchmark and MuJoCo Cupboard Fitting benchmark show significant gains over baseline models, with zero-shot generalization to photorealistic HM3D environments and real-robot experiments on a Franka Panda arm. Ablations confirm that reflection-in-action and reflection-on-action are mutually dependent, and that retrospective reflection achieves better credit assignment than step-wise external feedback at lower computational overhead. Qualitative analyses further highlight behavioral correction through reflection.
Authors: Elizabeth S. Z. Tan, Adil Soubki, Miles Cranmer
Abstract: What mathematical functions do neural network components learn? Symbolic distillation addresses this question by expressing neural network components with interpretable, closed-form mathematical expressions that expose the functional structure learned during training. We develop symbolic distillation as a systematic, architecture-agnostic methodology, and release our approach as the open-source SymTorch package - a PySR-powered library built natively for the PyTorch ecosystem. Applying this methodology across diverse architectures, we find that SymTorch is successful in the automated discovery of physical laws. Specifically, our approach (1) recovers pairwise interaction forces from graph neural networks trained on empirical $n$-body observations, (2) distills the exact closed-form PDE/ODE solutions of multiple physical systems, including the value of constants, from physics-informed neural networks trained on sparse data, and (3) uncovers the chaotic dynamics of the Lorenz system from high-dimensional data, ultimately outperforming the base neural network on downstream prediction tasks. We further demonstrate the utility of our framework for model interpretability by providing an optimized implementation of SLIME - a symbolic extension to the LIME explainability method. SLIME consistently outperforms LIME across predictive metrics across eight popular classification and regression benchmarks, while still providing an interpretable local symbolic model. Lastly, we investigate replacing transformer MLP layers with symbolic surrogates: replacing 1-7 layers with symbolic approximations yields 2-19\% throughput improvements and up to 18.7\% VRAM reduction, with the resulting hybrid models lying on the Pareto front of throughput versus perplexity among open-source LLMs of comparable scale.
Authors: Jiayang Meng, Tao Huang, Chen Hou, Guolong Zheng, Hong Chen
Abstract: In Embedding-as-an-Interface (EaaI) settings, pre-trained models are queried for Intermediate Representations (IRs). The distributional properties of IRs can leak training-set membership signals, enabling Membership Inference Attacks (MIAs) whose strength varies across layers. Although Differentially Private Stochastic Gradient Descent (DP-SGD) mitigates such leakage, existing implementations employ per-example gradient clipping and a uniform, layer-agnostic noise multiplier, ignoring heterogeneous layer-wise MIA vulnerability. This paper introduces Layer-wise MIA-risk-aware DP-SGD (LM-DP-SGD), which adaptively allocates privacy protection across layers in proportion to their MIA risk. Specifically, LM-DP-SGD trains a shadow model on a public shadow dataset, extracts per-layer IRs from its train/test splits, and fits layer-specific MIA adversaries, using their attack error rates as MIA-risk estimates. Leveraging the cross-dataset transferability of MIAs, these estimates are then used to reweight each layer's contribution to the globally clipped gradient during private training, providing layer-appropriate protection under a fixed noise magnitude. We further establish theoretical guarantees on both privacy and convergence of LM-DP-SGD. Extensive experiments show that, under the same privacy budget, LM-DP-SGD reduces the peak IR-level MIA risk while preserving utility, yielding a superior privacy-utility trade-off.
Authors: Chenyu Zheng, Rongzhen Wang, Xinyu Zhang, Chongxuan Li
Abstract: Generative foundation models are increasingly scaled in both width and depth, posing significant challenges for stable feature learning and reliable hyperparameter (HP) transfer across model sizes. While maximal update parameterization ($\mu$P) has provided a principled solution to both problems for width scaling, existing extensions to the joint width-depth scaling regime remain fragmented, architecture- and optimizer-specific, and often rely on technically involved theories. In this work, we develop a simple and unified spectral framework for $\mu$P under joint width-depth scaling. For deep residual networks whose residual blocks contain $k$ transformations, the framework specifies how the norms of weights and their per-step updates should scale with width and depth. It reveals a fundamental transition from $k=1$ to $k\geq 2$, unifying previously disparate $\mu$P formulations and identifying the $k\geq 2$ case as more appropriate for practical architectures with multi-transformation branches such as Transformers. Building on this framework, we derive a general recipe for implementing $\mu$P across a broad class of optimizers by mapping spectral constraints to concrete HP parameterizations, recovering existing results and extending them to additional optimizers. Finally, experiments on GPT-2 style language models show that the $\mu$P formulation derived from the $k\geq 2$ case achieves stable feature learning and robust HP transfer under width-depth scaling, whereas standard parameterization and $\mu$P in the $k=1$ case often fail to do so. These results support the practical effectiveness of the proposed spectral framework.
Authors: Taimur Khan
Abstract: TiledAttention is a scaled dot-product attention (SDPA) forward operator for SDPA research on NVIDIA GPUs. Implemented in cuTile Python (TileIR) and exposed as a PyTorch-callable function, it is easier to modify than low-level CUDA templates while retaining realistic behavior via online softmax and tiled $K,V$ streaming. Algorithmically, TiledAttention follows the established FlashAttention-style online-softmax formulation; our novelty is the cuTile/TileIR implementation strategy, schedule-level modifiability, and reproducible benchmarking/profiling workflow. The approach is both performant and directly editable at the schedule level from Python (tile shapes, staging, shared-memory layout), enabling rapid, reproducible kernel research without template-heavy CUDA/CUTLASS rewrites. We benchmark TiledAttention on an NVIDIA DGX GB10 node with a reproducible harness and compare against PyTorch SDPA (auto-dispatch), explicit unfused baselines (torch_sdpa_math, standard eager attention), and forced backend probes (FlashAttention2, EffecientAttention, CuDNN Attention) across sequence length, head dimension, and precision (FP16/BF16). While production fused baselines remain stronger overall, TiledAttention delivers large speedups over standard eager attention paths and is available for direct use within PyTorch workflows, providing a practical balance between performance and customizability.
Authors: Ryan Feng Lin, Yuantao Wei, Huiling Liao, Xiaoning Qian, Shuai Huang
Abstract: This paper argues for recognizing an emerging paradigm of causal learning by wisdom of the crowd. Recent developments in government, industry, and research point to the rise of decentralized and crowd-based approaches within causal modeling, where causal knowledge distributed across many contributors can be systematically elicited and integrated with causal learning workflows. In this paradigm, causal learning becomes a distributed decision-making problem: each participant contributes partial and potentially noisy knowledge, while collective contributions help construct a global causal structure. This direction is enabled by advances in crowdsourcing platforms, expert knowledge elicitation, aggregation techniques, and large language model (LLM)-augmented information acquisition. Its promise is increasingly visible in early research and emerging real-world practices. Building on this momentum, we outline a framework for crowd-based causal learning spanning elicitation, modeling, aggregation, and optimization. We further discuss the opportunities and challenges introduced by this paradigm and call for interdisciplinary collaboration across causal learning, collective intelligence, human-AI interaction, and decision science.
Authors: L. Juli\'an Lechuga L\'opez, Farah E. Shamout, Tim G. J. Rudner
Abstract: As artificial intelligence systems move toward clinical deployment, ensuring reliable prediction behavior is fundamental for safety-critical decision-making tasks. One proposed safeguard is selective prediction, where models can defer uncertain predictions to human experts for review. In this work, we empirically evaluate the reliability of uncertainty-based selective prediction in multilabel clinical condition classification using multimodal ICU data. Across a range of state-of-the-art unimodal and multimodal models, we find that selective prediction can substantially degrade performance despite strong standard evaluation metrics. This failure is driven by severe class-dependent miscalibration, whereby models assign high uncertainty to correct predictions and low uncertainty to incorrect ones, particularly for underrepresented clinical conditions. Our results show that commonly used aggregate metrics can obscure these effects, limiting their ability to assess selective prediction behavior in this setting. Taken together, our findings characterize a task-specific failure mode of selective prediction in multimodal clinical condition classification and highlight the need for calibration-aware evaluation to provide strong guarantees of safety and robustness in clinical AI.
Authors: Zonglin Yang, Lidong Bing
Abstract: While large language models (LLMs) show promise in scientific discovery, existing research focuses on inference or feedback-driven training, leaving the direct modeling of the generative reasoning process, $P(\text{hypothesis}|\text{background})$ ($P(h|b)$), unexplored. We demonstrate that directly training $P(h|b)$ is mathematically intractable due to the combinatorial complexity ($O(N^k)$) inherent in retrieving and composing inspirations from a vast knowledge base. To break this barrier, we introduce MOOSE-Star, a unified framework that enables tractable and scalable training of $P(h|b)$, while supporting more scalable inference. In the best case, MOOSE-Star reduces complexity from exponential to logarithmic ($O(\log N)$) by (1) training on decomposed subtasks derived from the probabilistic equation of discovery, (2) employing motivation-guided hierarchical search to enable logarithmic retrieval and prune irrelevant subspaces, and (3) utilizing bounded composition for robustness against retrieval noise. To facilitate this, we release TOMATO-Star, a dataset of 108,717 decomposed papers (38,400 GPU hours) for training. Empirically, MOOSE-Star scales continuously with training data and inference budget, whereas direct brute-force sampling hits a complexity wall.
Authors: Yanbo Wang, Jiaxuan You, Chuan Shi, Muhan Zhang
Abstract: Relational Databases (RDBs) are the backbone of modern business, yet they lack foundation models comparable to those in text or vision. A key obstacle is that high-quality RDBs are private, scarce and structurally heterogeneous, making internet-scale pre-training infeasible. To overcome this data scarcity, We introduce $\textbf{RDB-PFN}$, the first relational foundation model trained purely via $\textbf{synthetic data}$. Inspired by Prior-Data Fitted Networks (PFNs) where synthetic data generated from Structural Causal Models (SCMs) enables reasoning on single tables, we design a $\textbf{Relational Prior Generator}$ to create an infinite stream of diverse RDBs from scratch. Pre-training on $\textbf{over 2 million}$ synthetic single-table and relational tasks, RDB-PFN learns to adapt to any new database instantly via genuine $\textbf{in-context learning}$. Experiments verify RDB-PFN achieves strong few-shot performance on 19 real-world relational prediction tasks, outperforming graph-based and single-table foundation-model baselines (given the same DFS-linearized inputs), while using a lightweight architecture and fast inference. The code is available at https://github.com/MuLabPKU/RDBPFN
Authors: Bhavya Agrawalla, Michal Nauman, Aviral Kumar
Abstract: Recent work shows that flow matching can be effective for scalar Q-value function estimation in reinforcement learning (RL), but it remains unclear why or how this approach differs from standard critics. Contrary to conventional belief, we show that their success is not explained by distributional RL, as explicitly modeling return distributions can reduce performance. Instead, we argue that the use of integration for reading out values and dense velocity supervision at each step of this integration process for training improves TD learning via two mechanisms. First, it enables robust value prediction through \emph{test-time recovery}, whereby iterative computation through integration dampens errors in early value estimates as more integration steps are performed. This recovery mechanism is absent in monolithic critics. Second, supervising the velocity field at multiple interpolant values induces more \emph{plastic} feature learning within the network, allowing critics to represent non-stationary TD targets without discarding previously learned features or overfitting to individual TD targets encountered during training. We formalize these effects and validate them empirically, showing that flow-matching critics substantially outperform monolithic critics (2$\times$ in final performance and around 5$\times$ in sample efficiency) in settings where loss of plasticity poses a challenge e.g., in high-UTD online RL problems, while remaining stable during learning.
Authors: Michal Nauman, Marek Cygan, Pieter Abbeel
Abstract: Single-task RL agents are typically trained under a fixed reward function, which limits their robustness to reward misspecification and their ability to adapt to changing preferences. We introduce Reward-Conditioned Reinforcement Learning (RCRL), an off-policy method that conditions agents on reward parameterizations while collecting experience under a single nominal objective. By recomputing counterfactual rewards from shared replay data, RCRL exposes the agent to multiple reward objectives without additional environment interaction, connecting single-task RL with ideas from multi-objective and multi-task learning. Across single-task, multi-task, and vision-based benchmarks, RCRL improves sample efficiency under the nominal reward parameterization, enables efficient adaptation to new parameterizations, and supports zero-shot behavioral adjustment at deployment. Our results show that RCRL provides a scalable mechanism for learning robust, steerable policies without sacrificing the simplicity of single-task training.
Authors: Khai Nguyen, Petros Ellinas, Anvita Bhagavathula, Priya L. Donti
Abstract: To scale optimization and simulation, prior work has explored training machine-learning surrogates that map problem parameters to solutions inexpensively at inference time. Unfortunately, commonly used approaches, including supervised and self-supervised learning with either soft or hard feasibility enforcement, face inherent challenges such as reliance on expensive high-quality labels or difficult optimization landscapes. To address their trade-offs, we propose a novel framework that collects "cheap" imperfect labels, performs supervised model pretraining with a merit loss-based termination scheme, and finally refines the model through self-supervised learning to improve final performance. Empirical validation across challenging domains -- including nonconvex constrained optimization, power-grid operation, and stiff dynamical systems -- shows that this three-stage strategy yields faster convergence; improved accuracy, feasibility, and optimality; and up to 59x reductions in total offline computational cost. We further analyze why and when our framework improves surrogate model training, finding that (i) merit loss is an informative signal and (ii) only small numbers of cheap, inexact labels are needed to place the model in a favorable regime for self-supervised learning.
Authors: Weiyu Huang, Pengle Zhang, Xiaolu Zhang, Jun Zhou, Jun Zhu, Jianfei Chen
Abstract: Structured pruning reduces LLM inference cost by removing low-importance architectural components. This can be viewed as learning a multiplicative gate for each component under an l0 sparsity constraint. Due to the discreteness of the l0 norm, prior work typically adopts stochastic hard-concrete relaxations to enable differentiable optimization; however, this stochasticity can introduce a train--test mismatch when sampled masks are discretized for deployment and restricts masks to a bounded, near-binary range. To address this, we propose Deterministic Differentiable Pruning (DDP), a mask-only optimization method that eliminates stochasticity by directly optimizing a deterministic soft surrogate of the discrete l0 objective. Compared with prior approaches, DDP offers greater expressiveness, reduced train--test mismatch, and faster convergence. We apply our method to several dense and MoE models, including Qwen3-32B and Qwen3-30B-A3B, achieving a performance loss as small as 1% on downstream tasks while outperforming previous methods at 20% sparsity. We further demonstrate end-to-end inference speedups in realistic deployment settings with vLLM.
Authors: Tommaso Giorgi, Pierriccardo Olivieri, Keyue Jiang, Laura Toni, Matteo Papini
Abstract: Learning compact state representations in Markov Decision Processes (MDPs) has proven crucial for addressing the curse of dimensionality in large-scale reinforcement learning (RL) problems. Existing principled approaches leverage structural priors on the MDP by constructing state representations as linear combinations of the state-graph Laplacian eigenvectors. When the transition graph is unknown or the state space is prohibitively large, the graph spectral features can be estimated directly via sample trajectories. In this work, we prove an upper bound on the approximation error of linear value function approximation under the learned spectral features. We show how this error scales with the algebraic connectivity of the state-graph, grounding the approximation quality in the topological structure of the MDP. We further bound the error introduced by the eigenvector estimation itself, leading to an end-to-end error decomposition across the representation learning pipeline. Additionally, our expression of the Laplacian operator for the RL setting, although equivalent to existing ones, prevents some common misunderstandings, of which we show some examples from the literature. Our results hold for general (non-uniform) policies without any assumptions on the symmetry of the induced transition kernel. We validate our theoretical findings with numerical simulations on gridworld environments.
Authors: Riccardo De Monte, Matteo Cederle, Gian Antonio Susto
Abstract: State-of-the-art deep reinforcement learning (RL) methods have achieved remarkable performance in continuous control tasks, yet their computational complexity is often incompatible with the constraints of resource-limited hardware, due to their reliance on replay buffers, batch updates, and target networks. The emerging paradigm of streaming deep RL addresses this limitation through purely online updates, achieving strong empirical performance on standard benchmarks. In this work, we propose two novel streaming deep RL algorithms, Streaming Soft Actor-Critic (S2AC) and Streaming Deterministic Actor-Critic (SDAC), explicitly designed to be compatible with state-of-the-art batch RL methods, making them particularly suitable for on-device finetuning applications such as Sim2Real transfer. Both algorithms achieve performance comparable to state-of-the-art streaming baselines on standard benchmarks without requiring tedious per-environment hyperparameter tuning. We further investigate the batch-to-streaming transition, showing that a naive transition does not guarantee preservation of pre-trained policy performance, and propose a principled approach to address this challenge.
Authors: Omid Shams Solari
Abstract: Bayesian change-point and segmentation models provide uncertainty-aware piecewise-constant representations of ordered data, but exact inference is often limited to narrow likelihood classes, single sequences, or index-uniform designs. We present \texttt{BayesBreak}, a modular offline Bayesian segmentation framework that separates local block scoring from global inference: each candidate block supplies a marginal likelihood and any needed moment numerators, while a dynamic program combines these scores to compute posteriors over segment counts, boundaries, and latent signals. For weighted exponential-family likelihoods with conjugate priors, block evidences and posterior moments are available in closed form from cumulative sufficient statistics, enabling exact sum-product inference for $p(y\mid k)$, $p(k\mid y)$, boundary marginals, and Bayes regression curves. We distinguish these summaries from the \emph{joint} MAP segmentation, recovered by a separate max-sum recursion. BayesBreak supports design-aware partition priors for irregular observations, exact pooling across replicates with shared boundaries, and latent-template mixtures with exact EM updates. For non-conjugate GLM blocks, the same DP layer can use deterministic local approximations such as Laplace, variational methods, EP, or quadrature. We prove a posterior-odds stability bound: uniform per-block log-evidence error $\varepsilon$ perturbs $k$-odds and boundary-odds by at most $(k+k')\varepsilon$ and $2k\varepsilon$. Validation includes synthetic recovery, calibration, and scaling experiments, plus four real-data illustrations: well-log geology, array-CGH copy number, equity-return volatility, and CpG-atlas methylation.
Authors: Ying Zhang, Hang Yu, Haipeng Zhang, Peng Di
Abstract: Text-rich graphs, which integrate complex structural dependencies with abundant textual information, are ubiquitous yet remain challenging for existing learning paradigms. Conventional methods and even LLM-hybrids compress rich text into static embeddings or summaries before structural reasoning, creating an information bottleneck and detaching updates from the raw content. We argue that in text-rich graphs, the text is not merely a node attribute but the primary medium through which structural relationships are manifested. We introduce RAMP, a Raw-text Anchored Message Passing approach that moves beyond using LLMs as mere feature extractors and instead recasts the LLM itself as a graph-native aggregation operator. RAMP exploits the text-rich nature of the graph via a novel dual-representation scheme: it anchors inference on each node's raw text during each iteration while propagating dynamically optimized messages from neighbors. It further handles both discriminative and generative tasks under a single unified generative formulation. Extensive experiments show that RAMP effectively bridges the gap between graph propagation and deep text reasoning, achieving competitive performance and offering new insights into the role of LLMs as graph kernels for general-purpose graph learning.
Authors: Hefei Xu, Le Wu, Yu Wang, Min Hou, Han Wu, Zhen Zhang, Meng Wang
Abstract: As large language models (LLMs) increasingly shape content generation, interaction, and decision-making across the Web, aligning them with human values has become a central objective in trustworthy AI. This challenge becomes even more pronounced when aligning multiple, potentially conflicting human values. Although recent approaches, such as reward reweighting, prompt-based supervised fine-tuning, and model merging, attempt to tackle multi-value alignment, they still face two major limitations: (1) training separate models for each value combination is prohibitively expensive; (2) value conflicts substantially degrade alignment performance. These limitations make it difficult to achieve favorable trade-offs across diverse human values. To address these challenges, we revisit multi-value alignment from the perspective of value consistency in data and propose VC-soup, a data filtering and parameter merging framework grounded in value-consistent learning. We first design a value consistency metric based on the cosine similarity between the reward-gap vector of each preference pair and an all-ones vector, which quantifies its cross-value coherence. We then filter out low-consistency preference pairs in each value dataset and train on the remaining data to obtain smooth, value-consistent policy models that better preserve linear mode connectivity. Finally, we linearly combine these policies and apply Pareto filtering across values to obtain solutions with balanced multi-value performance. Extensive experiments and theoretical analysis demonstrate that VC-soup effectively mitigates conflicts and consistently outperforms existing multi-value alignment methods.
Authors: Philippe Formont, Maxime Darrin, Ismail Ben Ayed, Pablo Piantanida
Abstract: Recent reasoning-based large language models have shown strong performance on tasks with verifiable outcomes, but their use in de novo molecular generation remains limited by the lack of training environments where rewards can be computed without reference molecules. We introduce MolRGen, a benchmark and molecular verifier for training and evaluating reasoning LLMs on de novo molecular generation. MolRGen contains approximately 4,500 protein-pocket targets, resulting in 50k multi-objective optimization prompts combining docking scores with molecular properties such as QED, synthetic accessibility, logP, and physicochemical descriptors. Unlike caption-based generation or molecule-editing benchmarks, MolRGen evaluates molecules proposed from scratch by computing rewards at generation time. We benchmark general-purpose and chemistry-specialized open-source LLMs and introduce a diversity-aware top-k metric to measure whether models can generate a diverse set of high-scoring molecules. Finally, we use the verifier to fine-tune a 128B LLM with GRPO, showing improved performance, at the cost of a diversity-exploitation trade-off. MolRGen provides a scalable testbed for studying verifier-based reasoning and reinforcement learning in molecular design.
Authors: Zicheng Lyu, Zengfeng Huang
Abstract: Many Wasserstein analyses of diffusion samplers control reverse-time propagation by global stability summaries of the learned drift. These summaries can hide radial geometry: equal-height expansive regions of different width can yield different propagation costs. We give a profile-adapted propagation interface for scalar-isotropic reverse-SDE windows with certified learned-drift profiles. A certified lower radial profile is compiled into an affine-tail transportation cost: reflection coupling reduces stability to a one-dimensional slope budget, and Hardy capacity quantifies the load paid before a contractive tail reserve. The compiler yields an adapted cost, contraction rate, and retained tail slope. Score-modeling and solver residuals are treated as forcing inputs and propagate additively in the adapted Wasserstein distance. Quadratic Wasserstein error is reported only at terminal time, using the retained tail slope with tail, moment, or support information. Gaussian-smoothed denoising geometry supplies inverse-radius profiles for uniformly dissipative, bounded-amplitude, and common-covariance mixture windows. Fixed-height examples show that adverse height, even with eventual reserve, does not determine the certificate; barrier examples show that the load dependence is structural.
Authors: Xinyan Wang, Xiaogeng Liu, Chaowei Xiao
Abstract: Large Reasoning Models (LRMs) often reach a correct solution before their long Chain-of-Thought trace ends, yet continue with redundant verification, repeated attempts, or unnecessary exploration that wastes computation and can even overturn the correct answer. We frame this behavior as a latent productive-to-redundant transition and show that it is directly reflected in hidden states: around first-correct-solution (FCS) boundaries, late-layer representations separate efficient from overthinking tokens, while boundary-permutation and position-control baselines collapse. Based on this signal, we propose ROM, a model-agnostic streaming intervention framework that monitors frozen LRMs with a lightweight hidden-state detector and intervenes at well-formed reasoning boundaries. Counterfactual Self-Correction (CSC) augments supervision with balanced wrong to correct trajectories, preserving useful pre-FCS correction while labeling only post-FCS continuation as redundant. Across MATH500, GSM8K, AIME25, and MMLU-Pro, ROM improves the overall tradeoff on both Qwen3-8B and DeepSeek-R1-Distill-Qwen-32B (DS-32B): on Qwen3-8B, it raises accuracy from 74.47% to 74.78% and reduces response length from 4262 to 3107 tokens; on DS-32B, it raises accuracy from 68.60% to 68.72% and reduces response length from 3062 to 2319 tokens. The same FCS-derived supervision transfers across scale and training origin, suggesting a shared long-CoT boundary rather than a backbone-specific artifact. ROM is compatible with L1, removing another 20.9-21.6% tokens at zero accuracy loss. ROM also generalizes to open-ended MMLU-Pro (+1.56 pp, 35.4% shorter) and reduces wall-clock latency by 46.5%. Code is available at https://github.com/SaFo-Lab/ROM.
Authors: Neha K. Nair, Aaron D'Souza
Abstract: Saccharomyces cerevisiae is increasingly recognised as a key source for single-cell protein (SCP) production, a rising solution to global protein-supply challenges. This study presents a computational framework combining the Yeast9 genome-scale metabolic model (GEM) with machine learning and optimisation to predict and enhance biomass flux for SCP yield. The Yeast9 GEM, comprising 4,131 reactions, 2,806 metabolites, and 1,161 genes, was simulated using flux balance analysis (FBA) across 2,000 Latin Hypercube-sampled flux profiles. Random Forest and XGBoost regressors achieved R2 values of 0.9999760 and 0.9997702, respectively. A variational autoencoder (VAE) identified four metabolic clusters with mean biomass fluxes of 0.472, 0.493, 0.527, and 0.505 gDW/hr. SHAP-based feature attribution identified twenty key reactions in glycolysis, the TCA cycle, and amino-acid biosynthesis; 18/20 (90%) were confirmed essential by in silico knockout. Bayesian optimisation produced a 12.13-fold improvement in biomass flux (0.0858 to 1.041 gDW/hr) at glucose = -20.0, oxygen = -20.0, and ammonium = -8.9 mmol/gDW/hr. A generative adversarial network (GAN) generated novel flux configurations (variance = 0.124); stoichiometric feasibility verification returned 0/100 feasible profiles due to incomplete generator convergence, reported as a limitation. Pareto front analysis identified an optimal SCP operating point at 0.0858 gDW/hr biomass flux with amino-acid biosynthesis score of 1000.029 mmol/gDW/hr.
Authors: Christopher Ackerman
Abstract: The ability to represent oneself and others as agents with knowledge, intentions, and belief states that guide their behavior - Theory of Mind - is a human universal that enables us to navigate - and manipulate - the social world. It is supported by our ability to form mental models of ourselves and others. Its ubiquity in human affairs entails that LLMs have seen innumerable examples of it in their training data and therefore may have learned to mimic it, but whether they have actually learned causal models that they can deploy in arbitrary settings is unclear. We therefore develop a novel experimental paradigm that requires that subjects form representations of the mental states of themselves and others and act on them strategically rather than merely describe them. We test a wide range of leading open and closed source LLMs released since 2024, as well as human subjects, on this paradigm. We find that 1) LLMs released before mid-2025 fail at all of our tasks, 2) more recent LLMs achieve human-level performance on modeling the cognitive states of others, and 3) even frontier LLMs fail at our self-modeling task - unless afforded a scratchpad in the form of a reasoning trace. We further demonstrate cognitive load effects on other-modeling tasks, offering suggestive evidence that LLMs are using something akin to limited-capacity working memory to hold these mental representations in mind during a single forward pass. Finally, we explore the mechanisms by which reasoning models succeed at the self- and other-modeling tasks, and show that they readily engage in strategic deception.
Authors: Da Chang, Qiankun Shi, Lvgang Zhang, Yu Li, Ruijie Zhang, Yao Lu, Yongxiang Liu, Ganzhao Yuan
Abstract: Orthogonalized-update optimizers such as Muon improve training of matrix-valued parameters, but existing extensions typically either rescale updates after orthogonalization or use heavier whitening-based preconditioners before it. We introduce {\method}, a lightweight family of pre-orthogonalization equilibration schemes for Muon with three forms: two-sided row/column normalization (RC), row normalization (R), and column normalization (C). By rebalancing the momentum matrix before finite-step Newton--Schulz orthogonalization, {\method} improves the geometry seen by orthogonalization. We show that finite-step orthogonalization is governed by the input spectrum, especially stable rank and condition number, and that row/column normalization acts as a zeroth-order surrogate for whitening. For hidden matrix weights, R is the default variant. Theoretically, {\method} (R) retains the standard $\widetilde{\mathcal O}(T^{-1/4})$ Muon-type nonconvex stationarity guarantee with decoupled weight decay and a horizon-free diminishing learning-rate schedule, and extends it to finite-step NS5 up to an explicit inexactness constant. In LLaMA2 pretraining on C4, {\method} (R) consistently outperforms Muon on 130M, 350M, and 1B models, with faster convergence and lower validation perplexity. The code is available at the \href{https://github.com/MaeChd/muon-eq}{MuonEq codebase}.
Authors: Alexander Brenning, Thomas Suesse
Abstract: Reliable estimation of predictive performance is essential for spatial environmental modeling, where machine-learning models are used to generate maps from unevenly distributed observations. Standard cross-validation (CV) assumes that validation data are representative of prediction conditions across the target domain. In practice, this assumption is often violated due to preferential or clustered sampling, leading to biased performance and uncertainty estimates. We introduce a deployment-oriented validation framework based on weighted CV that aligns validation tasks with the distribution of prediction tasks across a specified domain. The framework includes importance-weighted cross-validation (IWCV) and a calibration-based approach, Target-Weighted Cross-Validation (TWCV), which uses spatially meaningful task descriptors such as environmental covariates and prediction distance. Simulation experiments show that conventional non-spatial and spatial CV strategies can exhibit substantial bias under realistic sampling designs, whereas weighted CV approaches substantially reduce this bias when validation tasks adequately cover the deployment-task space. A case study on mapping nitrogen dioxide (NO$_2$) concentrations across Germany demonstrates that standard CV can overestimate prediction error due to sampling bias, while weighted CV yields estimates more consistent with deployment conditions. The framework separates validation task generation from risk estimation and provides a practical approach for improving performance assessment in spatial prediction settings where sample distributions differ from prediction domains.
Authors: Guruprerana Shabadi, Kaushik Mallik
Abstract: We consider multi-objective reinforcement learning problems where objectives come from an identical family -- such as the class of reachability objectives -- and may appear or disappear at runtime. Our goal is to design adaptive policies that can efficiently adjust their behaviors as the set of active objectives changes. To solve this problem, we propose a modular framework where each objective is supported by a selfish local policy, and coordination is achieved through a novel auction-based mechanism: policies bid for the right to execute their actions, with bids reflecting the urgency of the current state. The highest bidder selects the action, enabling a dynamic and interpretable trade-off among objectives. Going back to the original adaptation problem, when objectives change, the system adapts by simply adding or removing the corresponding policies. Moreover, as objectives arise from the same family, identical copies of a parameterized policy can be deployed, facilitating immediate adaptation at runtime. We show how the selfish local policies can be computed by turning the problem into a general-sum Markov game, where the policies compete against each other to fulfill their own objectives. To succeed, each policy must not only optimize its own objective, but also reason about the presence of other goals and learn to produce calibrated bids that reflect relative priority. Under mild assumptions, we prove the existence of Nash equilibria where dishonest bidding leads to suboptimal outcome, and the most urgent objectives win control automatically. In our implementation, the policies are trained concurrently using proximal policy optimization (PPO). We evaluate on two Atari games and a gridworld-based path-planning task with dynamic targets. Our method achieves substantially better performance than monolithic policies trained with PPO.
Authors: Alex E. Ballentine, Nachiket U. Bapat, Raghvendra V. Cowlagi
Abstract: The deployment of reinforcement learning (RL)-based controllers on physical systems is often limited by poor generalization to real-world scenarios, known as the simulation-to-reality (sim-to-real) gap. This gap is particularly challenging in spaceflight, where real-world training data are scarce due to high cost and limited planetary exploration data. Traditional approaches, such as system identification and synthetic data generation, depend on sufficient data and often fail due to modeling assumptions or lack of physics-based constraints. We propose addressing this data scarcity by introducing physics-based learning bias in a generative model. Specifically, we develop the Mutual Information-based Split Variational Autoencoder (MI-VAE), a physics-informed VAE that learns differences between observed system trajectories and those predicted by physics-based models. The latent space of the MI-VAE enables generation of synthetic datasets that respect physical constraints. We evaluate MI-VAE on a planetary lander problem, focusing on limited real-world data and offline RL training. Results show that augmenting datasets with MI-VAE samples significantly improves downstream RL performance, outperforming standard VAEs in statistical fidelity, sample diversity, and policy success rate. This work demonstrates a scalable strategy for enhancing autonomous controller robustness in complex, data-constrained environments.
Authors: Jonathon Hirschi
Abstract: Dynamical systems describe how a physical system evolves over time. Physical processes can evolve faster or slower in different environmental conditions. We use time-warping as rescaling the time in a model of a physical system. This thesis proposes a new method of transfer learning for Recurrent Neural Networks (RNNs) based on time-warping. We prove that for a class of linear, first-order differential equations known as time lag models, an LSTM can approximate these systems with any desired accuracy, and the model can be time-warped while maintaining the approximation accuracy. The Time-Warping method of transfer learning is then evaluated in an applied problem on predicting fuel moisture content (FMC), an important concept in wildfire modeling. An RNN with LSTM recurrent layers is pretrained on fuels with a characteristic time scale of 10 hours, where there are large quantities of data available for training. The RNN is then modified with transfer learning to generate predictions for fuels with characteristic time scales of 1 hour, 100 hours, and 1000 hours. The Time-Warping method is evaluated against several known methods of transfer learning. The Time-Warping method produces predictions with an accuracy level comparable to the established methods, despite modifying only a small fraction of the parameters that the other methods modify.
Authors: Mohammed Suhail B Nadaf
Abstract: Activation steering presupposes that task-relevant behaviors correspond to linear directions in activation space -- directions that should both steer the model and be readable along the unembedding. Function vectors (FVs), extracted as mean differences across ICL demonstrations, are the canonical test case; the prediction: steering and decoding succeed or fail together. Across 12 tasks, 6 models from 3 families, and 4,032 directed cross-template pairs, we find the opposite. FV steering routinely succeeds where the logit lens cannot decode the correct answer at any intermediate layer, while the converse -- decodable without steerable -- is nearly empty (3 of 72). The gap is not representational dialect. A diagonal tuned lens closes 1 of 14 steerable-not-decodable cases; a 2-layer MLP probe with a Hewitt \& Liang control closes 5 of 10 via nonlinearly encoded structure but leaves 5 invisible to every decoder tested. Even at $> 0.90$ steering accuracy, projecting the FV through the unembedding yields incoherent token distributions: FVs encode computational instructions, not answer directions. A model-family asymmetry sharpens the picture. Mistral FVs rewrite intermediate representations, while Llama and Gemma FVs steer the final output without leaving a logit-lens-visible trace, corroborated by three signals (post-steering deltas, activation-patching recovery, FV norm-transfer correlations). A previously reported negative cosine-transfer correlation dissolves at scale, adding at most $\Delta R^2 = 0.011$ beyond task identity. These results decompose the linear representation hypothesis into linear decodability and linear steerability and show they come apart opposite to intuition, with implications for safety monitoring: vocabulary-projection tools are blind to FV-style interventions on widely deployed model families.
Authors: Indar Kumar, Akanksha Tiwari
Abstract: Ride-hailing and autonomous mobility-on-demand operators reposition idle supply before future demand is fully observed. We study a retrieval-calibrated predict-then-optimize approach for this problem: historical demand regimes are matched to the current query block, combined into a calibrated demand prior, and passed to a fleet-balancing controller. The paper makes three contributions. First, we train a leakage-safe similarity gate whose objective penalizes demand error, pickup spatial mismatch, and queue shortage risk rather than retrieval rank alone. Second, we develop a spatial queue-regret decomposition for a stable queueing surrogate, linking demand-field error to wait through queueing sensitivity, allocator sensitivity, and Wasserstein pickup mismatch. Third, we evaluate learned retrieval and external-style rebalancing baselines in a common simulator. In the calibrated-demand gate experiment, across eight New York City scenarios and ten seeds, the spatial gate reduces mean wait to 82.3s, compared with 85.3s for hand-tuned similarity and 85.8s for a distributional-only baseline. In a separate replay-demand controller comparison, a scenario chance-MPC analog and a share-target transportation LP improve on Wen-style rebalancing (92.2s/92.2s vs. 100.1s), a reduced GPR chance-MPC comparator is intermediate at 94.4s, and an oracle MPC diagnostic is 91.3s.
Authors: Indar Kumar, Girish Karhana, Sai Krishna Jasti, Ankit Hemant Lade
Abstract: Frozen pretrained image representations are widely used for transfer learning: a backbone is kept fixed, feature vectors are extracted, and a lightweight classifier is trained on top. This pipeline usually feeds the full feature vector to the classifier, even when the target task has far fewer classes than the pretraining task. We revisit a classical alternative: supervised dimensionality reduction with Linear Discriminant Analysis (LDA) before linear probing. We evaluate ten dimensionality-reduction strategies on frozen features from six backbones -- ResNet-18, ResNet-50, MobileNetV3-Small, EfficientNet-B0, ViT-B/16, and DINOv2-ViT-S/14 -- across CIFAR-100, Tiny ImageNet, and CUB-200-2011. Under a fixed logistic-regression protocol, LDA improves accuracy over full features in 11 of 12 coarse-grained configurations, with gains up to 4.5 percentage points while reducing feature dimensionality by 48-87%. The same projection consistently hurts on fine-grained CUB-200, where full features win across all six backbones. This establishes a practical boundary condition: LDA is useful when class-level structure is coarse enough to be captured by mean-separating directions, but it can discard subtle cues needed for fine-grained recognition. We also compare LDA with PCA, PCA+LDA, regularized LDA, Local Fisher Discriminant Analysis, Neighbourhood Components Analysis, and three lightweight LDA extensions. The results show that plain LDA offers the best accuracy-cost tradeoff for most coarse-grained settings, while more complex supervised reduction methods rarely justify their additional cost. Overall, the study provides concrete guidance for when post-hoc supervised projection should, and should not, be inserted into frozen-feature image classification pipelines.
Authors: Annita Vapsi, Penghang Liu, Saheed Obitayo, Aakriti, Manoj Cherukumalli, Prathamesh Patil, Amit Varshney, Nicolas Marchesotti, Elizabeth Fons, Vamsi K. Potluru, Manuela Veloso
Abstract: Synthetic data is essential for training foundation models for time series (FMTS), but most generators assume static correlations, and are typically missing realistic inter-channel dependencies. We introduce DynLMC, a Dynamic Linear Model of Coregionalization, that incorporates time-varying, regime-switching correlations and cross-channel lag structures. Our approach produces synthetic multivariate time series with correlation dynamics that closely resemble real data. Fine-tuning three foundational models on DynLMC-generated data yields consistent zero-shot forecasting improvements across nine benchmarks. Our results demonstrate that modeling dynamic inter-channel correlations enhances FMTS transferability, highlighting the importance of data-centric pretraining.
Authors: Willa Potosnak, Nina \.Zukowska, Micha{\l} Wili\'nski, Dan Howarth, Ignacy St\k{e}pka, Mononito Goswami, Artur Dubrawski
Abstract: Multivariate forecasting with Transformers faces a core scalability challenge: modeling cross-channel dependencies via attention compounds attention's quadratic sequence complexity with quadratic channel scaling, making full cross-channel attention impractical for high-dimensional time series. We propose Multivariate Infini Compressive Attention (MICA), an architectural design to extend channel-independent Transformers to channel-dependent forecasting. By adapting efficient attention techniques from the sequence dimension to the channel dimension, MICA adds a cross-channel attention mechanism to channel-independent backbones that scales linearly with channel count and context length. We evaluate channel-independent Transformer architectures with and without MICA across multiple forecasting benchmarks. MICA reduces forecast error over its channel-independent counterparts by 5.4% on average and up to 25.4% on individual datasets, highlighting the importance of explicit cross-channel modeling. Moreover, models with MICA rank first among deep multivariate Transformer and MLP baselines. MICA models also scale more efficiently with respect to both channel count and context length than Transformer baselines that compute attention across both the temporal and channel dimensions, establishing compressive attention as a practical solution for scalable multivariate forecasting.
Authors: Qipeng Zhan, Zhuoping Zhou, Li Shen
Abstract: Cross-entropy (CE) is the default training loss for supervised classification, but its sample efficiency is limited when labels are scarce. Existing remedies primarily act on the data side, via augmentation, synthesis, or transfer from pretrained models; the training objective itself is rarely revisited. We revisit it here. Drawing on the classical observation that generative classifiers reach their asymptotic error with fewer samples than discriminative ones, we propose Generative Cross-Entropy (GenCE), a drop-in replacement for CE that introduces a generative learning principle into a standard discriminative network without altering the architecture or fitting a separate density model. GenCE follows from a Bayesian rewrite of the class-conditional likelihood and, in the mini-batch approximation, reduces to normalizing each sample's softmax score against the model's predictions on the batch, coupling the training signal across examples sharing a class. We extend the proper-scoring-rule framework to such non-local losses and prove that GenCE is strictly proper under a mild completeness condition: its population risk is uniquely minimized at the true posterior. Across three datasets, on two architectures and in both balanced small-data and class-imbalanced regimes, GenCE outperforms CE and other widely used losses, while also producing better-calibrated probabilities and stronger out-of-distribution detection.
Authors: Jianfei Li, Shuo Huang, Han Feng, Ding-Xuan Zhou, Gitta Kutyniok
Abstract: Deep neural networks have emerged as powerful tools for learning operators defined over infinite-dimensional function spaces. However, existing theories frequently encounter difficulties related to dimensionality and limited interpretability. This work investigates how sparsity can help address these challenges in functional learning, a central ingredient in operator learning. We propose a framework that employs convolutional architectures to extract sparse features from a finite number of samples, together with deep fully connected networks to effectively approximate nonlinear functionals. Using universal discretization methods, we show that sparse approximators enable stable recovery from discrete samples. In addition, both the deterministic and the random sampling schemes are sufficient for our analysis. These findings lead to improved approximation rates and reduced sample sizes in various function spaces, including those with fast frequency decay and mixed smoothness. They also provide new theoretical insights into how sparsity can alleviate the curse of dimensionality in functional learning.
Authors: Ryyan Akhtar, Payal Pahwa, Monika Arora
Abstract: Large language models often fail on tasks they seem to already understand. In our experiments, this appears to be less about missing knowledge and more about certain internal circuits not being strongly activated during inference. We explore Selective Neuron Amplification, which increases the influence of task relevant neurons without changing the model's parameters. The method works at inference time and does not permanently alter the model. SNA helps mainly when the model is uncertain, while having low effect when the model is already confident. This suggests that some model failures are due to weak activation rather than lack of capability.
Authors: Yuyao Wang, Min Yang, Meng Chen, Weiming Huang, Yilong Yin, Yongshun Gong
Abstract: Cross-city transfer improves prediction in label-scarce cities by leveraging labeled data from other cities, but it becomes challenging when cities adopt incompatible partitions and no ground-truth region correspondences exist. Existing approaches either rely on heuristic region matching, which is often sensitive to anchor choices, or perform distribution-level alignment that leaves correspondences implicit and can be unstable under strong heterogeneity. We propose SCOT, a cross-city representation learning framework that learns explicit soft correspondences between unequal region sets via Sinkhorn-based entropic optimal transport. SCOT further sharpens transferable structure with an OT-weighted contrastive objective and stabilizes optimization through a cycle-style reconstruction regularizer. For multi-source transfer, SCOT aligns each source and the target to a shared prototype hub using balanced entropic transport guided by a target-induced prototype prior. Across real-world cities and tasks, SCOT consistently improves transfer accuracy and robustness, while the learned transport couplings and hub assignments provide interpretable diagnostics of alignment quality.
Authors: Yeping Jin, Jiaming Hu, Ioannis Ch. Paschalidis
Abstract: Large Language Models (LLMs) tend to respond correctly to prompts that align well with the data they were trained and fine-tuned on. Yet, small shifts in wording, format, or language can trigger surprisingly large failures, especially on multi-step reasoning problems. To address this problem, we propose a Distributionally Robust Token Optimization (DRTO) approach, which combines token-level Reinforcement Learning from Human Feedback (RLHF) with Distributionally Robust Optimization (DRO). DRTO constructs f-divergence ambiguity sets over span-level actor losses, providing a principled way to emphasize difficult response segments during policy optimization. Empirically, DRTO enhances consistency under distribution shifts in multiple reasoning benchmarks among different tasks, achieving $+4.4$ percentage points on MATH-500 and $+2.7$ percentage points on LiveCodeBench over standard RTO.
Authors: Linggang Kong, Lei Wu, Yunlong Zhang, Xiaofeng Zhong, Zhen Wang, Yongjie Wang, Yao Pan
Abstract: Despite the groundbreaking advancements made by large language models (LLMs), hallucination remains a critical bottleneck for their deployment in high-stakes domains. Existing classification-based methods mainly rely on static and passive signals from internal states, which often captures the noise and spurious correlations, while overlooking the underlying causal mechanisms. To address this limitation, we shift the paradigm from passive observation to active intervention by introducing CausalGaze, a novel hallucination detection framework based on structural causal models (SCMs). CausalGaze models LLMs' internal states as dynamic causal graphs and employs counterfactual interventions to disentangle causal reasoning paths from incidental noise, thereby enhancing model interpretability. Extensive experiments across four datasets and three widely used LLMs demonstrate the effectiveness of CausalGaze, especially achieving 3.3% improvement in AUROC on the TruthfulQA dataset compared to state-of-the-art baselines.
Authors: Runhe Zhou, Shanglin Li, Guanxiang Huang, Xinliang Zhou, Qibin Zhao, Motoaki Kawanabe, Yi Ding, Cuntai Guan
Abstract: Electroencephalography (EEG)-based multimodal learning integrates brain signals with complementary modalities to improve mental state assessment, providing great clinical potential. The effectiveness of such paradigms largely depends on the representation learning on heterogeneous modalities. For EEG-based paradigms, one promising approach is to leverage their hierarchical structures, as recent studies have shown that both EEG and associated modalities (e.g., facial expressions) exhibit hierarchical structures reflecting complex cognitive processes. However, Euclidean embeddings struggle to represent these hierarchical structures due to their flat geometry, while hyperbolic spaces, with their exponential growth property, are naturally suited for them. In this work, we propose EEG-MoCE, a novel hyperbolic mixture-of-curvature experts framework designed for multimodal neurotechnology. EEG-MoCE assigns each modality to an expert in a learnable-curvature hyperbolic space, enabling adaptive modeling of its intrinsic geometry. A curvature-aware fusion strategy then dynamically weights experts, emphasizing modalities with richer hierarchical information. Extensive experiments on benchmark datasets demonstrate that EEG-MoCE achieves state-of-the-art performance, including emotion recognition, sleep staging, and cognitive assessment.
Authors: Tianhao Qian
Abstract: As search depth increases in autonomous reasoning and embodied planning, candidate action spaces expand exponentially, often exhausting computational budgets. While heuristic pruning is a critical countermeasure, existing approaches lack formal safety guarantees when guided by surrogate evaluators such as Large Language Models (LLMs), which exhibit systematic biases. We formulate node expansion as a localized Best-Arm Identification (BAI) problem under bounded bias $L$ and derive a sample complexity upper bound of $\mathcal{O}((\Delta-4L)^{-2})$, identifying $\Delta > 4L$ as the regime where safe elimination is feasible. We further establish an information-theoretic lower bound of $\Omega((\Delta-2L)^{-2})$ that characterizes the structural limits of biased exploration. Motivated by these results, we propose PAC-MCTS, a bias-aware pruning framework that dynamically adapts confidence bounds during search. Experiments on Blocksworld and ALFWorld demonstrate that PAC-MCTS consistently improves robustness and search efficiency over strong pruning baselines, achieving up to 78\% fewer API evaluations and over 3$\times$ higher sample efficiency under strict compute budgets. Ablation studies further validate the predicted degradation behavior as evaluator bias increases.
Authors: Jingyuan Wang, Zhihao Jia, Chenyu Liu, Xinliang Zhou, Haoran Luo, Ziyu Jia, Yong Li, Fang Li, Junfeng Yao, Yi Ding
Abstract: EEG foundation models (EFMs) achieve strong cross-subject and cross-task generalization through large-scale pretraining and downstream fine-tuning. Through empirical analysis, we observe that (i) task-adapted EFMs provide strong decoding performance but incur substantial overhead when retained as inference backbones, making knowledge distillation a natural route for optimizing compact students; and (ii) direct distillation from a fixed teacher representation underutilizes EFM knowledge, as task-discriminative information is distributed across intermediate layers rather than concentrated in the final layer. These observations motivate DLink (Distilling Layer-wise and Dominant Knowledge), a spectrally guided distillation framework with input-conditioned layer routing for transferring EFM knowledge into compact students. DLink uses a lightweight router to aggregate teacher layers for each input, and aligns magnitude and phase spectra to mitigate compression-induced spectral distortion in learned representations. The routed teacher knowledge is internalized by a project-then-compress student; the teacher and router are used only during training. Experiments on four EEG benchmarks show that DLink improves matched compact students and remains competitive with lightweight baselines, narrowing the gap to fine-tuned EFMs while substantially reducing parameters, FLOPs, and CPU-only inference latency.
Authors: Xinge Liu, Terry Jingchen Zhang, Bernhard Sch\"olkopf, Zhijing Jin, Kristen Menou
Abstract: The rise of autonomous AI agents suggests that dynamic benchmark environments with built-in feedback on scientifically grounded tasks are needed to evaluate the capabilities of these agents in research work. We introduce Stargazer, a scalable environment for evaluating AI agents on dynamic, iterative physics-grounded model-fitting tasks using inference on radial-velocity (RV) time series data. Stargazer comprises 120 tasks across three difficulty tiers, including 20 real archival cases, covering diverse scenarios ranging from high-SNR single-planet systems to complex multi-planetary configurations requiring involved low-SNR analysis. Our evaluation of eight frontier agents reveals a gap between numerical optimization and adherence to physical constraints: although agents often achieve a good statistical fit, they frequently fail to recover correct physical system parameters, a limitation that persists even when agents are equipped with vanilla skills. Furthermore, increasing test-time compute yields only marginal gains, with excessive token usage often reflecting recursive failure loops rather than meaningful exploration. Stargazer presents an opportunity to train, evaluate, scaffold, and scale strategies on a model-fitting problem of practical research relevance today. Our methodology to design a simulation-driven environment for AI agents presumably generalizes to many other model-fitting problems across scientific domains. Source code and the project website are available at https://github.com/AIPS-UofT/Stargazer and https://aips-uoft.github.io/Stargazer/, respectively.
URLs: https://github.com/AIPS-UofT/Stargazer, https://aips-uoft.github.io/Stargazer/,
Authors: Shripad Deshmukh, Jayakumar Subramanian, Raghavendra Addanki, Nikos Vlassis
Abstract: In cooperative teams where agents act in a fixed order and share a single team-level reward (multi-agent language systems, sequential robotic tasks), per-agent credit assignment is under-determined. Critic-based approaches scale poorly as the number of agents grows owing to the costly maintenance of joint/factored critic(s), whereas the existing critic-free alternatives have other issues: common credit across agents that couples every agent's signal to teammate noise, importance-sampling corrections for upstream-update staleness that incur variance exponential in team size, or per-agent counterfactual replay that isolates each agent's effect at the price of extra environment or reward calls. We propose COSAC, a critic-free per-agent policy gradient for sequential cooperative teams. COSAC fits an additive per-agent decomposition of the team reward by a single ridge regression on the rollout batch (giving each agent a learning signal decoupled from teammate noise), and computes each agent's counterfactual advantage from fictitious continuations of the current policy (policy forward passes that replace both importance-sampling reweighting and per-agent environment replay, at no extra environment or reward cost). The estimator instantiates the Sequential Aristocrat Utility (SeqAU), our extension of Wolpert and Tumer's (2001) aristocrat utility to sequential teams. We prove bias and variance bounds on SeqAU credits that stay controlled as the team grows. Our controlled study on sequential bandits demonstrates that COSAC attains the lowest advantage MSE and consistently low learning regret across team sizes up to $K = 16$. On the AI2 Reasoning Challenge (ARC) task, where four Qwen3-0.6B agents reason in turn about a grade-school science question, COSAC attains faster convergence than the other critic-free baselines.
Authors: Yuyan Zhou, Jiarui Yu, Hande Dong, Zhezheng Hao, Hong Wang, Jianqing Zhang, Qiang Lin
Abstract: Recently, latent reasoning has been introduced into large language models (LLMs) to leverage rich information within a continuous space. However, without stochastic sampling, these methods inevitably collapse to deterministic inference, failing to discover diverse reasoning paths. To bridge the gap, we inject controllable stochasticity into latent reasoning via Gumbel-Softmax, restoring LLMs' exploratory capacity and enhancing their compatibility with Reinforcement Learning (RL). Building on this, we propose \textbf{\underline{L}}atent R\textbf{\underline{e}}asoning \textbf{\underline{P}}olicy \textbf{\underline{O}}ptimization~(\textbf{LEPO}), a novel framework that applies RL directly to continuous latent representations. Specifically, in rollout stage, LEPO maintains stochasticity to enable diverse trajectory sampling, while in optimization stage, LEPO constructs a unified gradient estimation for both latent representations and discrete tokens. Extensive experiments show that LEPO significantly outperforms existing RL methods for discrete and latent reasoning.
Authors: Isaac Llorente-Saguer
Abstract: Aligned language models refuse harmful instructions, but the representations through which they recognise such instructions are less well characterised than the behaviours they produce. Harmful intent is linearly separable from residual-stream activations across 12 models spanning four architectural families (Qwen2.5, Qwen3.5, Llama-3.2, Gemma-3) and three alignment variants (base, instruction-tuned, abliterated), with parameter scales from 0.5B to 1.3B and a within-family scale extension to 9B on Qwen3.5. A direction fitted from 100 labelled examples per class via Soft-AUC optimisation reaches mean effective AUROC 0.982 and TPR@1\%FPR 0.797, generalises to three held-out harm benchmarks and a hard-benign control, and matches its instruction-tuned counterpart within $\pm 0.003$ AUROC in abliterated variants from which the refusal mechanism has been removed. The supervised strategies all exceed AUROC 0.96, but their TPR@1\%FPR varies by more than ten times the AUROC gap; a deployed 9B safety classifier shows the same pattern at AUROC 0.94 and TPR 0.30, motivating low-FPR reporting as a default in safety-adjacent detection evaluation. Geometric measurements refine the picture. The recovered direction is concentrated within each extraction protocol but protocol-dependent across them: two pooling choices applied to the same chat-templated activations at the same residual-stream layer (max-pool over content tokens versus last-token at the post-instruction position) recover harm directions $73^\circ$ apart, and projecting one out leaves detection under either max-pool extraction essentially intact. Probing identifies a protocol-specific direction rather than a unique computational feature.
Authors: Akash Yadav, Taiwo A. Adebiyi, Ruda Zhang
Abstract: Transformer-based scientific foundation models are increasingly deployed in high-stakes settings, but current architectures give deterministic outputs and provide limited support for calibrated predictive uncertainty. We propose Stochastic Attention, a sample average lightweight inference-time modification that randomizes attention by replacing softmax weights with normalized multinomial samples controlled by a single concentration parameter, and produces predictive ensembles without retraining. To set this parameter, we introduce a calibration objective that matches the stochastic attention output with the target, yielding an efficient univariate post-hoc tuning problem. We evaluate this mechanism on scientific foundation models for weather and time-series forecasting, as well as several regression tasks. Across benchmarks against uncertainty-aware baselines, we find that Sample Average Stochastic Attention achieves the strongest native calibration and the sharpest prediction intervals at comparable calibration, with adaptation costs nearly three orders of magnitude lower than the next-best baseline.
Authors: Chaitanya Dwivedi, Binxuan Huang, Himanshu Gupta, Pratik Jayarao, Neeraj Varshney, Bing Yin
Abstract: Mixture-of-Experts (MoE) has become the dominant architecture for scaling large language models: frontier models routinely decouple total parameters from per-token computation through sparse expert routing. Scaling laws show that under fixed active computation, model quality scales predictably with total parameters, and MoEs realize this by increasing expert count. However, training large MoEs is expensive, as memory requirements and inter-device communication both scale with total parameter count. We propose expert upcycling, a method for progressively expanding MoE capacity by increasing the number of experts during continued pre-training (CPT). Given a trained E-expert model, the upcycling operator constructs an mE-expert model through expert duplication and router extension while holding top-K routing fixed, preserving per-token inference cost. Duplication provides a warm initialization: the expanded model inherits the source checkpoint's learned representations, starting from a substantially lower loss than random initialization. Subsequent CPT then breaks the symmetry among duplicated experts to drive specialization. We formalize the upcycling operator and develop a theoretical framework decomposing the quality gap into a capacity term and an initialization term. We further introduce utility-based expert selection, which uses gradient-based importance scores to guide non-uniform duplication, more than tripling gap closure when CPT is limited. In our 7B-13B total parameter experiments, the upcycled model matches the fixed-size baseline on validation loss while saving 32% of GPU hours. Comprehensive ablations across model scales, activation ratios, MoE architectures, and training budgets yield a practical recipe for deploying expert upcycling, establishing it as a principled, compute-efficient alternative to training large MoE models from scratch.
Authors: Shubhada Agrawal, Aaditya Ramdas
Abstract: Consider betting against a sequence of data in $[0,1]$, where one is allowed to make any bet that is fair if the data have a conditional mean $m_0 \in (0,1)$. Cover's universal portfolio algorithm delivers a worst-case regret of $O(\ln n)$ compared to the best constant bet in hindsight, and this bound is unimprovable against adversarially generated data. In this work, we present a novel mixture betting strategy that combines insights from Robbins and Cover, and exhibits a different behavior: it eventually produces a regret of $O(\ln \ln n)$ on almost all paths (a measure-one set of paths if each conditional mean equals $m_0$ and intrinsic variance increases to $\infty$), but has an $O(\log n)$ regret on the complement (a measure zero set of paths). Our paper appears to be the first to point out the value in hedging two very different strategies to achieve a best-of-both-worlds adaptivity to stochastic data and protection against adversarial data. We contrast our results to those in Agrawal and Ramdas [2026] for a sub-Gaussian mixture on unbounded data: their worst-case regret has to be unbounded, but a similar hedging delivers both an optimal betting growth-rate and an almost sure $\ln\ln n$ regret on stochastic data. Finally, our strategy witnesses a sharp game-theoretic upper law of the iterated logarithm, analogous to Shafer and Vovk [2005].
Authors: Salman Khan, Syed Sajid Ullah, Muhammad Zunair Zamir, Jie Li, Abdul Malik, Saeed Mian Qaisar
Abstract: Accurate prediction of thermal runaway in lithium-ion batteries is essential for ensuring the safety, efficiency, and reliability of modern energy storage systems. Conventional data-driven approaches, such as Long Short-Term Memory (LSTM) networks, can capture complex temporal dependencies but often violate thermodynamic principles, resulting in physically inconsistent predictions. Conversely, physics-based thermal models provide interpretability but are computationally expensive and difficult to parameterize for real-time applications. To bridge this gap, this study proposes a Physics-Informed Long Short-Term Memory (PI-LSTM) framework that integrates governing heat transfer equations directly into the deep learning architecture through a physics-based regularization term in the loss function. The model leverages multi-feature input sequences, including state of charge, voltage, current, mechanical stress, and surface temperature, to forecast battery temperature evolution while enforcing thermal diffusion constraints. Extensive experiments conducted on thirteen lithium-ion battery datasets demonstrate that the proposed PI-LSTM achieves an 81.9% reduction in root mean square error (RMSE) and an 81.3% reduction in mean absolute error (MAE) compared to the standard LSTM baseline, while also outperforming CNN-LSTM and multilayer perceptron (MLP) models by wide margins. The inclusion of physical constraints enhances the model's generalization across diverse operating conditions and eliminates non-physical temperature oscillations. These results confirm that physics-informed deep learning offers a viable pathway toward interpretable, accurate, and real-time thermal management in next-generation battery systems.
Authors: Zesheng Liu, Maryam Rahnemoonfar
Abstract: Internal ice layers imaged by radar provide key evidence of snow accumulation and ice dynamics, but radar-derived layer boundary observations are often incomplete, with discontinuous traces and sometimes entirely missing layers, due to limited resolution, sensor noise, and signal loss. Existing graph-based models for ice stratigraphy generally assume sufficiently complete layer profiles and focus on predicting deeper-layer thickness from reliably traced shallow layers. In this work, we address the layer-completion problem itself by synthesizing complete ice-layer thickness annotations from incomplete radar-derived layer traces by conditioning on colocated physical features synchronized from physical climate models. The proposed network combines geometric learning to aggregate within-layer spatial context with a transformer-based temporal module that propagates information across layers to encourage coherent stratigraphy and consistent thickness evolution. To learn from incomplete supervision, we optimize a mask-aware robust regression objective that evaluates errors only at observed thickness values and normalizes by the number of valid entries, enabling stable training under varying sparsity without imputation and steering completions toward physically plausible values. The model preserves observed thickness where available and infers only missing regions, recovering fragmented segments and even fully absent layers while remaining consistent with measured traces. As an additional benefit, the synthesized thickness stacks provide effective pretraining supervision for a downstream deep-layer predictor, improving fine-tuned accuracy over training from scratch on the same fully traced data.
Authors: Zhaokun Wang, Jinyu Guo, Jingwen Pu, Hongli Pu, Meng Yang, Xunlei Chen, Jie Ou, Wenyi Li, Guangchun Luo, Wenhong Tian
Abstract: Large language models (LLMs) trained on unfiltered corpora inherently risk retaining sensitive information, necessitating selective knowledge unlearning for regulatory compliance and ethical safety. However, existing parameter-modifying methods face fundamental limitations: high computational costs, uncontrollable forgetting boundaries, and strict dependency on model weight access. These constraints render them impractical for closed-source models, yet current non-invasive alternatives remain unsystematic and reliant on empirical experience. To address these challenges, we propose the Controllable Alignment Prompting for Unlearning (CAP) framework, an end-to-end prompt-driven unlearning paradigm. CAP decouples unlearning into a learnable prompt optimization process via reinforcement learning, where a prompt generator collaborates with the LLM to suppress target knowledge while preserving general capabilities selectively. This approach enables reversible knowledge restoration through prompt revocation. Extensive experiments demonstrate that CAP achieves precise, controllable unlearning without updating model parameters, establishing a dynamic alignment mechanism that overcomes the transferability limitations of prior methods.
Authors: Heng Yang
Abstract: We propose a sampling-based framework for finite-horizon trajectory and policy optimization under differentiable dynamics by casting controller design as inference. Specifically, we minimize a KL-regularized expected trajectory cost, which yields an optimal "Boltzmann-tilted" distribution over controller parameters that concentrates on low-cost solutions as temperature decreases. To sample efficiently from this sharp, potentially multimodal target, we introduce tempered sequential Monte Carlo (TSMC): an annealing scheme that adaptively reweights and resamples particles along a tempering path from a prior to the target distribution, while using Hamiltonian Monte Carlo rejuvenation to maintain diversity and exploit exact gradients obtained by differentiating through trajectory rollouts. For policy optimization, we extend TSMC via (i) a deterministic empirical approximation of the initial-state distribution and (ii) an extended-space construction that treats rollout randomness as auxiliary variables. Experiments across trajectory- and policy-optimization benchmarks show that TSMC is broadly applicable and compares favorably to state-of-the-art baselines.
Authors: Shuaizhi Cheng, Xiang Shi, Zhiwei Zhang, Mingwei Li
Abstract: Hypernetwork-based methods such as Doc-to-LoRA internalize a document into an LLM's weights in a single forward pass, but they fail systematically on conflicts: when the document contradicts pretraining knowledge, accuracy collapses to 46.4% on the deepest facts. We show the failure is a magnitude problem rather than a representational one. The hypernetwork already targets the right layers, but its adapter margin is approximately constant across documents while the pretrained margin grows with training frequency, so deep conflicts lose by construction. The account predicts that failure should track prior strength: sorting 194 conflicts by the base model's log-probability on the contradicted fact, baseline accuracy falls from 68% on weak-prior questions to 16% on strong-prior ones, a 52 percentage-point gap. The cure is amplitude. Selective Layer Boosting scales the adapter at its top-norm layers, and Conflict-Aware Internalization triggers boosting only when the base model is confident. Both are training-free; together they raise deep-conflict accuracy from 46.4% to 71.0% on Gemma-2B and from 53.6% to 72.5% on Mistral-7B while preserving novel-knowledge recall, and beat vanilla retrieval-augmented generation on medium conflicts by 18 percentage points despite operating entirely in parameter space. We release KID-Bench, a 489-question benchmark that separates novel recall, cross-knowledge combination, and prior-graded conflicts.
Authors: Timothy Oladunni, Farouk Ganiyu Adewumi
Abstract: We present Cardiac Stability Theory (CST), an axiomatically grounded framework formally defining cardiovascular health as a stability margin around a cardiac dynamical attractor. From four axioms we derive the Cardiac Stability Index (CSI), a composite scalar in [0,1] integrating the largest Lyapunov exponent, recurrence determinism, and signal entropy via time-delay embedding. The ECG-based model (CSISurrogateV2, CNN-Transformer) achieves $R^2=0.8788$, MAE$=0.0234$ on PTB-XL (21,799 recordings). We extend CSI to smartphone PPG via Complementary Domain Transfer (CDT): CSISurrogateV2 generates pseudo-labels for the BUT PPG dataset (48 recordings, 12 subjects), training TinyCSINet (122,849 parameters), achieving MAE$=0.0557$, $\rho=0.660$ on the held-out test set ($n=1065$ windows) at ${<}30$ ms mobile latency. CDT is validated on BIDMC, Welltory, and RWS-PPG. Paired validation on 5,035 BIDMC windows yields $r=0.454$ ($\rho=0.485$, $p<10^{-295}$), confirming correlated cardiac stability across modalities. CSI is negatively correlated with age (slope $= -0.000225$ CSI/year, PTB-XL), discriminates atrial fibrillation from normal sinus rhythm (AUROC$=0.89$), and is robust under Perturbation Invariance Training (max AUC drop 1.65\%). We derive HeartSpan, a longitudinal stability metric relative to population age norms, enabling continuous non-invasive cardiac monitoring from commodity smartphones for longevity tracking and cardiac risk stratification.
Authors: Yongquan Yang
Abstract: This article philosophically examines how shifts in assumptions regarding the existence and non-existence of the true target (TT) give rise to new perspectives and insights for machine learning (ML)-based predictive modeling and, correspondingly, proposes a knowledge system for evaluation and learning under Democratic Supervision. By systematically analysing the existence assumption of the TT in current mainstream ML paradigms, we explicitly adopt a negative ontology perspective, positing that the TT does not objectively exist in the real world, and, grounded in this non-existence assumption, define Democratic Supervision for ML. We further present Multiple Inaccurate True Targets (MIATTs) as an instance-level realization of Democratic Supervision. Building upon MIATTs, we derive principles, for the logic-driven generation and assessment of MIATTs, a logical assessment formulation for evaluation with MIATTs, and undefinable true target learning for learning with MIATTs. Based on these components, we establish the evaluation and learning with MIATTs (EL-MIATTs) framework for ML-based predictive modelling. A real-world application demonstrates the potential of the proposed EL-MIATTs framework in supporting education and professional development for individuals, aligning with prior discussions of Democratic Supervision in the fields of education and professional development.
Authors: Minkyu Kim, Vincent-Daniel Yun, Youngrae Kim, Youngjin Heo, Suin Cho, Seong-hun Kim, Woosang Lim, Gaeul Kwon
Abstract: Depth pruning improves the inference efficiency of large language models by removing Transformer blocks. Prior work has largely treated layer redundancy as an inherent structural property of pretrained networks, emphasizing importance criteria and search algorithms for identifying removable layers. In contrast, we adopt a \emph{functional perspective}, where redundancy depends jointly on the model and the calibration objective, suggesting that a universal layer ranking may not exist. Through an empirical study across three LLM families, two calibration objectives, and seven search algorithms, we find that different objectives produce qualitatively different pruning patterns, while perplexity and downstream reasoning accuracy rankings often fail to align. In contrast, under a fixed objective, different search algorithms tend to converge to similar pruning solutions. Overall, our results suggest that the calibration objective may play a larger role than the particular search algorithm in determining which layers appear redundant.
Authors: NVIDIA, :, Amala Sanjay Deshmukh, Kateryna Chumachenko, Tuomas Rintamaki, Matthieu Le, Tyler Poon, Danial Mohseni Taheri, Ilia Karmanov, Guilin Liu, Jarno Seppanen, Arushi Goel, Mike Ranzinger, Greg Heinrich, Guo Chen, Lukas Voegtle, Philipp Fischer, Timo Roman, Karan Sapra, Collin McCarthy, Shaokun Zhang, Fuxiao Liu, Hanrong Ye, Yi Dong, Mingjie Liu, Yifan Peng, Piotr Zelasko, Zhehuai Chen, Nithin Rao Koluguri, Nune Tadevosyan, Lilit Grigoryan, Ehsan Hosseini Asl, Pritam Biswas, Leili Tavabi, Yuanhang Su, Zhiding Yu, Peter Jin, Alexandre Milesi, Netanel Haber, Yao Xu, Sarah Amiraslani, Nabin Mulepati, Eric Tramel, Jaehun Jung, Ximing Lu, Brandon Cui, Jin Xu, Zhiqi Li, Shihao Wang, Yuanguo Kuang, Shaokun Zhang, Huck Yang, Boyi Li, Hongxu Yin, Song Han, Bilal Kartal, Pavlo Molchanov, Adi Renduchintala, Charles Wang, David Mosallanezhad, Soumye Singhal, Luis Vega, Katherine Cheung, Sreyan Ghosh, Yian Zhang, Alexander Bukharin, Venkat Srinivasan, Johnny Greco, Andre Manoel, Maarten Van Segbroeck, Suseella Panguliri, Rohit Watve, Divyanshu Kakwani, Shubham Pachori, Jeffrey Glick, Radha Sri-Tharan, Aileen Zaman, Khanh Nguyen, Shi Chen, Jiaheng Fang, Qing Miao, Wenfei Zhou, Yu Wang, Zaid Pervaiz Bhat, Varun Praveen, Arihant Jain, Ramanathan Arunachalam, Tomasz Kornuta, Ashton Sharabiani, Amy Shen, Wei Huang, Yi-Fu Wu, Ali Roshan Ghias, Huiying Li, Brian Yu, Nima Tajbakhsh, Chen Cui, Wenwen Gao, Li Ding, Terry Kong, Manoj Kilaru, Anahita Bhiwandiwalla, Marek Wawrzos, Daniel Korzekwa, Pablo Ribalta, Grzegorz Chlebus, Besmira Nushi, Ewa Dobrowolska, Maciej Jakub Mikulski, Kunal Dhawan, Steve Huang, Jagadeesh Balam, Yongqiang Wang, Nikolay Karpov, Valentin Mendelev, George Zelenfroynd, Meline Mkrtchyan, Qing Miao, Omri Almog, Bhavesh Pawar, Rameshwar Shivbhakta, Sudeep Sabnis, Ashrton Sharabiani, Negar Habibi, Geethapriya Venkataramani, Pamela Peng, Prerit Rodney, Serge Panev, Richard Mazzarese, Nicky Liu, Michael Fukuyama, Andrii Skliar, Roger Waleffe, Duncan Riach, Yunheng Zou, Jian Hu, Hao Zhang, Binfeng Xu, Yuhao Yang, Zuhair Ahmed, Alexandre Milesi, Carlo del Mundo, Chad Voegele, Zhiyu Cheng, Nave Assaf, Andrii Skliar, Daniel Afrimi, Natan Bagrov, Ran Zilberstein, Ofri Masad, Eugene Khvedchenia, Natan Bagrov, Borys Tymchenko, Tomer Asida, Daniel Afrimi, Parth Mannan, Victor Cui, Michael Evans, Katherine Luna, Jie Lou, Pinky Xu, Guyue Huang, Negar Habibi, Michael Boone, Pradeep Thalasta, Adeola Adesoba, Dina Yared, Christopher Parisien, Leon Derczynski, Shaona Ghosh, Wes Feely, Micah Schaffer, Radha Sri-Tharan, Jeffrey Glick, Barnaby Simkin, George Zelenfroynd, Tomasz Grzegorzek, Rishabh Garg, Aastha Jhunjhunwala, Sergei Kolchenko, Farzan Memarian, Haran Kumar, Shiv Kumar, Isabel Hulseman, Anjali Shah, Kari Briski, Padmavathy Subramanian, Joey Conway, Udi Karpas, Jane Polak Scowcroft, Annie Surla, Shilpa Ammireddy, Ellie Evans, Jesse Oliver, Tom Balough, Chia-Chih Chen, Sandip Bhaskar, Alejandra Rico, Bardiya Sadeghi, Seph Mard, Katherine Cheung, Meredith Price, Laya Sleiman, Saori Kaji, Wesley Helmholz, Wendy Quan, Michael Lightstone, Jonathan Cohen, Jian Zhang, Oleksii Kuchaiev, Boris Ginsburg, Jan Kautz, Eileen Long, Mohammad Shoeybi, Mostofa Patwary, Oluwatobi Olabiyi, Andrew Tao, Bryan Catanzaro, Udi Karpas
Abstract: We introduce Nemotron 3 Nano Omni, the latest model in the Nemotron multimodal series and the first to natively support audio inputs alongside text, images, and video. Nemotron 3 Nano Omni delivers consistent accuracy improvements over its predecessor, Nemotron Nano V2 VL, across all modalities, enabled by advances in architecture, training data and recipes. In particular, Nemotron 3 delivers leading results in real-world document understanding, long audio-video comprehension, and agentic computer use. Built on the highly efficient Nemotron 3 Nano 30B-A3B backbone, Nemotron 3 Nano Omni further incorporates innovative multimodal token-reduction techniques to deliver substantially lower inference latency and higher throughput than other models of similar size. We are releasing model checkpoints in BF16, FP8, and FP4 formats, along with portions of the training data and codebase to facilitate further research and development.
Authors: Bolian Li, Yifan Wang, Yi Ding, Anamika Lochab, Ananth Grama, Ruqi Zhang
Abstract: Reinforcement learning (RL) has enabled complex reasoning abilities in large language models (LLMs). However, most RL algorithms suffer from performance saturation, preventing continued gains as RL training scales. This problem can be characterized by the collapse of entropy, a key diagnostic for exploration in RL. Existing attempts focus on preventing entropy collapse through regularization or clipping. However, their resulting entropy curves often exhibit instability in the long term, which hinders performance gains. In this paper, we introduce Entrocraft, a simple rejection-sampling approach that realizes user-customized entropy schedule by biasing the advantage distributions. Entrocraft requires no objective regularization and is advantage-estimator-agnostic. Theoretically, we relate per-step entropy change to the advantage distribution under minimal assumptions. This explains the behavior of existing RL and entropy-preserving methods. Entrocraft also enables a systematic study of entropy schedules, which reveals that linear annealing, which starts high and decays to a slightly lower target, performs best. Empirically, Entrocraft addresses performance saturation, significantly improving generalization, output diversity, and long-term training. It enables a 4B model to outperform an 8B baseline, sustains improvement for up to 4x longer before plateauing, and raises pass@K by 50% over the baseline.
Authors: Roman Klypa, Oleksandr Cherednichenko
Abstract: Supervised Fine-Tuning (SFT) is essential for aligning Large Language Models (LLMs) with user intent, yet it is believed to suppress generative diversity. Although this reduction is frequently referenced, formal empirical testing of the phenomenon remains limited. The expressiveness of LLMs by itself was addressed by multiple prior methods. Their varying perspectives suggest that deeper investigation could yield further improvements. In this study, we attribute the decline to two primary drivers: the neglect of low-frequency patterns within fine-tuning datasets and the forgetting of preexisting knowledge. Motivated by our theoretical analysis, we develop Tempered Focal (TOFU) loss, a novel objective that addresses both stated challenges simultaneously. Our extensive evaluation confirms at scale that generation breadth narrows after SFT and strengthens the hypothesis explaining this effect. Across multiple models and benchmarks, we demonstrate that TOFU enhances output diversity while preserving high response quality, offering a principled approach to SFT.
Authors: Chenyu Huang, Jianghao Lin, Zhengyang Tang, Bo Jiang, Ruoqing Jiang, Benyou Wang, Lai Wei
Abstract: We study how large language models can be used to evolve inventory policies in online, non-stationary environments. Our work is motivated by recent advances in LLM-based evolutionary search, such as AlphaEvolve, which demonstrates strong performance for static and highly structured problems such as mathematical discovery, but is not directly suited to online dynamic inventory settings. To this end, we propose InvEvolve, an end-to-end inventory policy evolution and inference framework grounded in confidence-interval-based certification. Built on a large language model trained via reinforcement learning, InvEvolve can process demand data together with additional numerical and textual features, and generates white-box inventory policies with statistical safety guarantees for deployment in future periods. We further introduce a unified theoretical model that connects training, inference, and deployment. This allows us to drive a lower bound on the probability that InvEvolve evolves a statistically safe and improved policy, and to characterize the multi-period performance gap relative to the oracle-safe benchmark. Tested on both synthetic data and real-world retail data, InvEvolve outperforms classical inventory policies and deep learning based methods. In canonical inventory settings, it evolves new policies that improve upon existing benchmarks.
Authors: Chunlei Meng, Pengbin Feng, Rong Fu, Hoi Leong Lee, Xiaojing Du, Zhaolu Kang, Zeyu Zhang, Weilin Zhou, Chun Ouyang, Zhongxue Gan
Abstract: Centralized multimodal learning commonly compresses language, acoustic, and visual signals into a single fused representation for prediction. While effective, this paradigm suffers from two limitations: modality dominance, where optimization gravitates towards the path of least resistance, ignoring weaker but informative modalities, and spurious modality coupling, where models overfit to incidental cross-modal correlations. To address these, we propose Group Cognition Learning (GCL), a governed collaboration paradigm that applies a two-stage protocol after modality-specific encoding. In Stage 1 (Selective Interaction), a Routing Agent proposes directed interaction routes, and an Auditing Agent assigns sample-wise gates to emphasize exchanges that yield positive marginal predictive gain while suppressing redundant coupling. In Stage 2 (Consensus Formation), a Public-Factor Agent maintains an explicit shared factor, and an Aggregation Agent produces the final prediction through contribution-aware weighting while keeping each modality representation as a specialization channel. Extensive experiments on CMU-MOSI, CMU-MOSEI, and MIntRec demonstrate that GCL mitigates dominance and coupling, establishing state-of-the-art results across both regression and classification benchmarks. Analysis experiments further demonstrate the effectiveness of the design.
Authors: Xinshuai Dong, Haifeng Chen, Xuyuan Liu, Shengyu Chen, Haoyu Wang, Shaoan Xie, Kun Zhang, Zhengzhang Chen
Abstract: Large Language Models have achieved remarkable success and are increasingly deployed in critical applications involving tabular data, such as Table Question Answering. However, their robustness to the structure of this input remains a critical, unaddressed question. This paper demonstrates that modern LLMs exhibit a significant vulnerability to the layout of tabular data. Specifically, we show that semantically-invariant permutations of rows and columns - rearrangements that do not alter the table's underlying information - are sometimes sufficient to cause incorrect or inconsistent model outputs. To systematically probe this vulnerability, we introduce Adversarial Table Permutation, a novel, gradient-based attack that efficiently identifies worst-case permutations designed to maximally disrupt model performance. Our extensive experiments demonstrate that ATP significantly degrades the performance of a wide range of LLMs. This reveals a pervasive vulnerability across different model sizes and architectures, including the most recent and popular models. Our findings expose a fundamental weakness in how current LLMs process structured data, underscoring the urgent need to develop permutation-robust models for reliable, real-world applications.
Authors: Rohit Agarwal, Joshua Lin, Mark Braverman, Elad Hazan
Abstract: We study AI alignment through the lens of law-and-economics models of deterrence and enforcement. In these models, misconduct is not treated as an external failure, but as a strategic response to incentives: an actor weighs the gain from violation against the probability of detection and the severity of punishment. We argue that the same logic arises naturally in agentic AI pipelines. A solver may benefit from producing a persuasive but incorrect answer, hiding uncertainty, or exploiting spurious shortcuts, while an auditor or verifier must decide whether costly monitoring is worthwhile. Alignment is therefore a fixed-point problem: stronger penalties may deter solver misbehavior, but they can also reduce the auditor's incentive to inspect, since auditing then mainly incurs cost on a population that appears increasingly aligned. This perspective also changes what should count as a post-training signal. Standard feedback often attaches reward to the final answer alone, but a solver-auditor pipeline exposes the full correction event: whether the solver erred, whether the auditor inspected, whether the error was caught, and whether oversight incentives remained active. We formalize this interaction in a two-agent model in which a principal chooses rewards over joint correction outcomes, inducing both solver behavior and auditor monitoring. Reward design is therefore a bilevel optimization problem: rewards are judged not by their immediate semantic meaning, but by the behavioral equilibrium they induce. We propose a bandit-based outer-loop procedure for searching over reward profiles using noisy interaction feedback. Experiments on an LLM coding pipeline show that adaptive reward profiles can maintain useful oversight pressure and improve principal-aligned outcomes relative to static hand-designed rewards, including a substantial reduction in hallucinated incorrect attempts.
Authors: Yuxin Lu, Jiayang Sun, Guibo Zhu, Min Cao
Abstract: Diffusion-based talking head generation has achieved remarkable visual quality, yet scaling it to long-term videos remains challenging. The widely adopted chunk-wise paradigm introduces two fundamental failures: (1) temporal-spatial misalignment between static identity references and dynamic audio streams, and (2) cascading identity drift propagated through self-generated continuity references across chunks. To address both issues, we propose AsymTalker, a novel diffusion-based talking head generation method comprising Temporal Reference Encoding (TRE) and Asymmetric Knowledge Distillation (AKD). First, TRE mitigates temporal-spatial misalignment by transforming the static identity image into a temporally coherent latent representation through encoding of a temporally replicated pseudo-video, without introducing additional parameters. Second, AKD resolves the inherent conditioning dilemma in chunk-wise training: using ground-truth references causes train-inference mismatch, while self-generated references entangle supervision with identity drift. Our asymmetric design circumvents this by anchoring the teacher model with ground-truth continuity references to provide drift-free, chunk-level supervision, thereby avoiding the teacher bottleneck. Meanwhile, the student model learns under inference-aligned conditions, conditioned only on self-generated references, and is trained via distribution matching to preserve identity over long horizons. Extensive experiments show AsymTalker achieves state-of-the-art results on HDTF and VFHQ. It guarantees high-fidelity, identity-consistent synthesis over 600-second videos and reaches a real-time inference speed of 66 FPS.
Authors: Khouloud Saadi, Di Wang
Abstract: Reasoning distillation aims to transfer multi-step reasoning capabilities from large language models to smaller, more efficient ones. While recent methods have shown promising gains, they typically rely on static teacher-student hierarchies and frame distillation as trajectory imitation. This is misaligned with the structure of reasoning, where intermediate steps are often locally under-specified: global correctness constrains the final answer, but does not uniquely determine each intermediate move. We propose validity-calibrated reasoning distillation, a framework that treats reasoning distillation as a problem of local learning-signal allocation rather than path alignment. Instead of enforcing token-level imitation, we compare the student's and teacher's proposed next-step actions under the same prefix and use their relative local validity to modulate the strength of the distillation update. This yields a dynamic, context-dependent supervision mechanism that preserves the teacher's structural guidance while adapting update strength to local reasoning quality. Across mathematical reasoning, code generation, and instruction-following benchmarks, our method consistently outperforms strong distillation baselines. These results indicate that effective LLM reasoning distillation is governed not by rigid trajectory imitation, but by principled, locally calibrated allocation of learning signal.
Authors: Alexandre L. M. Levada
Abstract: Accurate boundary detection in high-dimensional data remains a central challenge in unsupervised learning, particularly in the presence of non-linear structures and heterogeneous densities. In this work, we introduce Mean Curvature Boundary Points (MCBP), a novel geometric framework grounded in Geometric Machine Learning that departs from traditional density-based approaches by explicitly modeling the intrinsic curvature of the data manifold. The method relies on a discrete approximation of the shape operator, estimated from local k-nearest neighbor patches, to compute pointwise mean curvature without requiring explicit manifold parametrization. The key insight of MCBP is to use mean curvature as a principled descriptor of boundary structure: high-curvature regions naturally correspond to transitions between clusters, geometric irregularities, and low-density interfaces. This yields a unified geometric interpretation of boundary, outlier, and transition points. We further introduce an adaptive percentile-based thresholding scheme that enables multiscale boundary extraction without relying on ad hoc density parameters. Beyond detection, we propose a curvature-driven data decomposition that separates samples into smooth (low-curvature) and boundary (high-curvature) subsets, effectively acting as a non-linear geometric filtering mechanism. This representation enhances cluster separability and improves the robustness of downstream unsupervised algorithms. Extensive experiments on synthetic and real-world datasets demonstrate that MCBP consistently improves clustering performance, particularly in complex and high-dimensional scenarios. These results position MCBP as a concrete contribution to Geometric Machine Learning, highlighting the potential of curvature-aware analysis as a unifying paradigm bridging differential geometry and data-driven modeling.
Authors: Ye Su, Longlong Zhao, Diego Garcia-Gil, Jipeng Guo, Gangchun Zhang, Jinxin Chen, Jinsong Chen
Abstract: Gradient boosting remains a strong and widely used method for tabular data learning, but its performance often degrades when training labels are noisy. This behavior is largely related to the way boosting algorithms emphasize samples with large gradients, without explicitly accounting for whether such errors originate from informative hard cases or from unreliable labels. We address this issue by reconsidering how sample reliability is evaluated during boosting. Instead of relying on instantaneous error, we examine the evolution of each sample's residuals across iterations. Based on this insight, we propose Information-Theoretic Trust Boosting (ITBoost), which uses the Minimum Description Length principle to measure the complexity of residual trajectories. Samples whose residual patterns fluctuate in an irregular manner are treated as less trustworthy and are down-weighted during learning. Theoretically, we derive a tighter generalization bound for ITBoost under label noise. Empirical results on various tabular benchmarks indicate that ITBoost provides improved robustness in noisy environments over leading boosting and deep tabular models, while retaining best average performance on clean data.
Authors: Zhikai Li, Zhen Dong, Xuewen Liu, Jing Zhang, Qingyi Gu
Abstract: Large Language Models (LLMs) have demonstrated remarkable capabilities. However, their massive parameter scale leads to significant resource consumption and latency during inference. Post-training weight-only quantization offers a promising solution by reducing model size and accelerating token generation through alleviating the memory-bound issue. Nevertheless, the presence of inherent systematic outliers in weights continues to be a major obstacle. While existing methods, such as scaling and rotation, attempt to address this issue, the performance remains unsatisfactory. In this paper, we propose Outlier Self-Absorption Quantization (OSAQ), which performs additive weight suppression guided by the second-order low-rank property for low-bit weight-only quantization of LLMs. Specifically, we observe that the Hessian exhibits low-rank consistency across different inputs, with certain directions consistently showing vanishing curvature. Leveraging this property, we identify a stable null space of the Hessian and then construct an additive weight transformation by linearly combining the vectors within this null space, thereby suppressing weight outliers without affecting the task loss. This additive transformation can be absorbed into the weights offline, requiring no inter-layer transformations and introducing no inference overhead. Moreover, the construction is efficiently achieved by a closed-form solution, without resource-intensive training or iterative procedures. Extensive experiments demonstrate that OSAQ effectively suppresses outliers and enhances low-bit quantization performance. For instance, in 2-bit quantization, OSAQ, when integrated with GPTQ, achieves over 40% lower perplexity compared to vanilla GPTQ.
Authors: Junxiang Wu, Zhiqiang Kou, Hongwei Zeng, Wenke Huang, Biao Liu, Hanlin Gu, Yuheng Jia, Di Jiang, Yang Liu, Xin Geng
Abstract: Label Distribution Learning (LDL) models supervision as an instance-wise probability distribution, enabling fine-grained learning under inherent ambiguity, but its success relies on high-fidelity label distributions that are costly to obtain and thus often noisy. Motivated by privacy-sensitive applications, we study Federated Label Distribution Learning (Fed-LDL), where data isolation further induces heterogeneous annotation quality across clients, making local updates unevenly reliable and breaking sample-size-based aggregation (e.g., FedAvg). To address this trust dilemma, we propose FedQual, a quality-aware Fed-LDL framework with two coupled mechanisms: (i) quality-adaptive client training guided by a global semantic anchor that calibrates low-quality clients while preserving high-quality autonomy, and (ii) reliability-aware server aggregation that reweights client contributions by effective reliable information rather than raw sample size. To enable rigorous evaluation, we construct four new Fed-LDL benchmarks (FER-LDL, FI-LDL, PIPAL-LDL, and KADID-LDL) with controlled annotation quality disparity. We further provide a theoretical guarantee showing that under heterogeneous supervision quality, client-specific calibration is strictly better than any uniform calibration. Extensive experiments on the proposed benchmarks demonstrate the effectiveness of FedQual.
Authors: Albert F. Modenbach
Abstract: GPT-style language models are sensitive to single-token changes at generation points where the predicted probability distribution is spread across multiple tokens. Viewing this sensitivity as a geometric property, we derive an $\mathfrak{so}(n)$-valued 1-form that depends only on the geometry of the token embeddings. Despite this purely geometric origin, we show that its curvature is semantically meaningful: On chess reasoning tasks, the curvature couples to the world model of an off-the-shelf instruction-tuned model, with transformations clustering by board region and respecting piece importance. Our findings suggest that token space geometry directly reflects how models internally represent problems.
Authors: Han Wang, Jintao Zhang, Kai Jiang, Haoxu Wang, Jianfei Chen, Jun Zhu
Abstract: LLM-based Triton kernel generation has attracted significant interest, yet a fundamental empirical question remains unanswered: where does this capability break down, and why? We present KernelBenchX, a benchmark designed to answer this question through category-aware evaluation of correctness and hardware efficiency across 176 tasks in 15 categories. Our systematic comparison of five representative methods yields three main findings. First, task structure determines correctness more than method design. Category explains nearly three times more variance in semantic correctness than method (9.4% vs 3.3% explained deviance), and 72% of Fusion tasks fail across all five methods while Math tasks are solved consistently. Second, iterative refinement improves correctness, but not performance. Across GEAK iterations, compile rate rises from 52.3% to 68.8% while average speedup declines from $1.58\times$ to $1.44\times$; newly rescued kernels consistently underperform persistently correct ones ($1.16\times$ vs $1.58\times$ speedup in round~0$\to$1). Third, correctness does not imply efficiency. 46.6% of correct kernels are slower than the PyTorch eager baseline, and cross-hardware speedup variance reaches $21.4\times$. Besides, quantization remains completely unsolved (0/30 successes) despite non-trivial compilation rates, revealing systematic misunderstanding of numerical computation contracts rather than surface-level syntax errors. These findings suggest that future progress depends on handling global coordination, explicitly modeling numerical precision, and incorporating hardware efficiency into generation. The code is available at https://github.com/BonnieW05/KernelBenchX
Authors: David Leeftink, Max Hinne, Marcel van Gerven
Abstract: A key capability of intelligent agents is operating under partial observability: reasoning and acting effectively despite missing or incomplete state observations. While recurrent (memory-based) policies learned via reinforcement learning address this by encoding history into latent state representations, their internal dynamics remain uninterpretable black boxes. This paper establishes a formal link between these hidden states and the Pontryagin minimum principle (PMP) from optimal control. We demonstrate that for standard recurrent architectures, latent representations map directly to PMP co-states, which allows the readout layer to be interpreted as performing Hamiltonian minimization. Because standard reward maximization does not naturally discover this alignment, we introduce a PMP-derived co-state loss to explicitly structure the internal dynamics. Empirically, this approach matches or improves performance on partially observable DMControl tasks, and is robust against zero-shot out-of-distribution sensor masking. By framing recurrent networks as dynamic processes governed by the minimum principle, we provide a principled approach to designing robust continuous control policies.
Authors: Duong Nguyen, Mohammed Jawhar, Nicolas Chesneau
Abstract: Tabular foundation models (TFMs), such as TabPFN-2.6, TabICLv2, ConTextTab, Mitra, LimiX, and TabDPT, achieve strong zero-shot performance through in-context learning, but their inductive biases remain fixed at inference time. Adapting a pretrained TFM to a specific dataset or task typically requires either full fine-tuning, which is computationally expensive, or parameter-efficient tuning methods (PEFT) such as LoRA, which must be tailored to the internal architecture of each TFM. Furthermore, the evidence on whether weight-space fine-tuning improves accuracy or calibration is mixed \citep{tanna_exploring_2026,rubachev_finetuning_2025}. We introduce TFM-Retouche, a lightweight input-space residual adapter that is architecture-agnostic by design with respect to the frozen TFM backbone. TFM-Retouche learns a small residual correction in the input space to align the input data with the inductive biases of the pretrained model. The adapter is trained end-to-end through the frozen TFM, with a post-training identity guard that falls back to the unmodified TFM whenever adaptation does not help on held-out validation. On TabArena-Lite (51 datasets spanning binary classification, multiclass classification, and regression), TabICLv2-Retouche -- the framework instantiated on TabICLv2 -- is the top-ranked method on the leaderboard with light per-task tuning and ensembling, lifting aggregate Elo by +56 over the frozen TabICLv2 base and sitting on the Pareto front of predictive quality versus both training and inference time.
Authors: Yi-Siang Wang, Kuan-Yu Chen, Yu-Chen Den, Darby Tien-Hao Chang
Abstract: Large language models (LLMs) have recently been adapted to tabular prediction by serializing structured features into natural language, but their performance in low-data regimes remains limited compared to gradient-boosted decision trees (GBDTs). In this work, we revisit the boosting paradigm, traditionally associated with tree ensembles, and ask whether it can be applied as a general training principle for LLM fine-tuning. We propose BoostLLM, a framework that transforms parameter-efficient fine-tuning into a multi-round residual optimization process by training sequential PEFT adapters as weak learners. To incorporate tabular inductive bias, BoostLLM integrates decision-tree paths as a second input view alongside raw features; analysis reveals that the path view acts as a structured teacher in early training steps before the model shifts toward feature-driven representations. Empirically, BoostLLM achieves consistent improvements over standard fine-tuning across multiple LLM backbones and datasets, matching or surpassing XGBoost across a wide range of shot counts and outperforming GPT-4o-based methods with a 4B model. We further show that the framework scales: pairing with stronger tree models and extended boosting horizons yields additional gains under appropriate stabilization. These results suggest that boosting can serve as a general training principle for LLM fine-tuning, particularly in low-data regimes for structured data.
Authors: Andy Zeyi Liu, Michael Zhang, Ilana Greenberg, Adam Alnasser, Lucas Baker, John Sous
Abstract: Steering large language models (LLMs) is usually done by either instruction prompting or activation steering. Prompting often gives strong control, but caches guidance tokens at every layer and can clutter long interactions; activation steering is compact but typically weaker and does not support large structured reminders. We introduce memory inception (MI), a training-free method that steers in latent attention space by inserting text-derived key-value (KV) banks only at selected layers. Rather than materializing reminder content throughout the prompt cache, MI treats steering as selective KV allocation, injecting latent slots only where the model routes to them. On matched personality-steering tasks, MI gives the best overall control--drift trade-off, remaining competitive with prompting while consistently outperforming CAA. On updateable guidance, MI supports mid-conversation behavior shifts without rewriting the visible transcript, achieving the highest post-shift alignment on Qwen3. On structured reasoning, MI outperforms visible prompting on HARDMath and PHYSICS (10/12 subject$\times$mode cells), serving as proxies for structured reasoning in verifiable domains, while cutting content-matched KV storage by up to 118$\times$. These results position MI as a powerful steering method when guidance is persistent, structured, or expensive to keep in the visible transcript.
Authors: Yi Wei, Xuan Qi, Furao Shen
Abstract: Deep networks with continuous piecewise affine activations induce polyhedral partitions of the input space, making the number of realized affine regions a natural measure of expressive capacity and a key determinant of how well the model can approximate nonlinear target functions. In practice, standard training realizes far fewer region refinements in data-visited neighborhoods than the architecture could in principle support, while existing region-count theory is primarily architectural and offers little guidance on how optimization shapes the realized partition near the data. Our theory provides a sufficient condition under which bringing neuron switching surfaces sufficiently close to data points ensures their intersection with local neighborhoods, which in turn implies a strict increase in the local affine-region count, yielding a principled training-time handle for seeding data-relevant partitions early in optimization. Guided by these results, we propose a plug-and-play region-seeding regularizer that encourages early partitioning while allowing task-driven refinement to dominate later in training. Experiments show that the regularizer increases the number of realized affine regions via exact enumeration and improves overall performance on toy datasets, while also improving early-stage accuracy and achieving comparable (or slightly improved) final accuracy on ImageNet-1k for classical models.
Authors: Alexander Conzelmann, Albert Catalan-Tatjer, Shiwei Liu
Abstract: Diffusion language models (DLMs) have recently emerged as competitive alternatives to autoregressive (AR) language models, yet differences in their activation dynamics remain poorly understood. We characterize these dynamics in LLaDA-8B and identify a striking layer-collapse property: a few early layers exhibit highly similar, collapsed activation patterns dominated by a single large super-outlier persisting over a long token range. Despite its apparent redundancy, this outlier is critical: pruning it causes outputs to degrade into repetitive random token loops. Paradoxically, layers in LLaDA contain more redundant representations overall, with redundancy most pronounced in earlier layers -- the reverse of AR models, where deeper layers grow redundant due to undertraining. Our analysis indicates that layer collapse in DLMs is not driven by undertraining but by overtraining: a dominant outlier becomes an indispensable information carrier while remaining representations collapse into redundant structure. These findings have strong practical implications, verified through controlled pre-training experiments. DLMs are surprisingly robust to compression: LLaDA under 3-bit GPTQ quantization drops only -1.8% on GSM8K, whereas Llama-3.1-8B drops -64.7%. Optimal sparsity allocation also reverses between families: at 50% average sparsity, allocating more to early layers in LLaDA yields +8.4% over the reverse strategy, while the same allocation costs Llama -8.4%. Our findings reveal that the DLM training objective fundamentally reshapes layer dynamics relative to AR models, with direct consequences for compression and deployment. Code: github.com/Conzel/super-outlier-dlm.
Authors: Yuchen Xiong, Swee Keong Yeap, Steven Aw Yoong Kit
Abstract: Fluorescent protein quantum yield (QY) is governed by the mature chromophore and its three-dimensional microenvironment rather than sequence identity alone. Protein language models and emission-band averages capture global trends, but do not model how local physical signals act on specific chromophore regions. We present a chromophore-centred mechanism graph algorithm for QY prediction. Each PDB structure is converted into a typed 3D residue graph, registered to a mature-CRO state, partitioned into phenolate, bridge and imidazolinone regions, and transformed by channel-signal-region propagation. The representation contains 121 enrichment features; after removing identity shortcuts, 52 non-identity features are used for band-specific ExtraTrees regression. Because each feature encodes a contact channel, seed signal and target CRO region, interpretation is intrinsic rather than post hoc. On a 531-protein benchmark, the method achieved the best random-CV performance among model-based baselines (R = 0.772 +/- 0.008, MAE = 0.131 +/- 0.002), exceeding Band mean (R = 0.632), ESM-C (R = 0.734) and SaProt (R = 0.731), and ranked first in bright screening (Bright P@5 = 0.704). Under homology control, the advantage was clearest in the remote bucket (<50% similarity; R = 0.697 versus 0.633, 0.575 and 0.408), with the strongest overall bright/dark Top-K screening. Stable selected features recovered band-specific mechanisms: aromatic packing and clamp asymmetry in GFP-like proteins, charge/clamp balance in Red proteins, and flexibility-risk/bulky-contact features in Far-red proteins. Source code, feature tables and evaluation scripts are available from the first author upon request. Contact: yuchenak05@gmail.com
Authors: Mohsen Dehghankar, Abolfazl Asudeh
Abstract: Sparse attention improves LLM inference efficiency by selecting a subset of key-value entries, but at the cost of potential accuracy degradation. In particular, omitting critical KV entries can induce substantial errors in model outputs. Existing methods typically operate under fixed or adaptive token budgets and provide empirical robustness or partial theoretical guarantees, yet they do not ensure zero false negatives in decoding steps, particularly since the set of relevant tokens is both query- and step-dependent. Our empirical observations confirm that missing even one critical key can lead to sharp error spikes, especially in long reasoning tasks where the set of important tokens varies throughout decoding. This observation motivates the need for indexing methods that dynamically adapt to these variations across decoding steps while guaranteeing a full recall of the relevant keys above a certain threshold. We address this challenge by reformulating sparse attention as the halfspace range searching problem. However, existing range searching indices are not suitable for modern LLM inference due to their computational and implementation overheads. To overcome this, we introduce Louver, a novel index structure tailored for efficient KV cache retrieval. Louver (i) guarantees zero false negatives with respect to a specified threshold in both theory and practice, (ii) is lightweight to integrate into existing LLM pipelines, and (iii) incorporates hardware-aware optimizations for both CPU and GPU executions. Our experiments demonstrate that Louver outperforms prior sparse attention methods in both accuracy and runtime, and is faster than highly optimized dense attentions such as FlashAttention. These results highlight that recall guarantees are a critical and overlooked dimension of sparse attention, and open a new direction for building theoretically grounded, efficient KV cache indices.
Authors: Ishani Mondal, Shweta Bhardwaj
Abstract: Generative AI systems achieve impressive performance on standard benchmarks yet fail to deliver real-world utility, a disconnect we identify across 28 deployment cases spanning education, healthcare, software engineering, and law. We argue that this benchmark utility gap arises from three recurring failures in evaluation practice: proxy displacement, temporal collapse, and distributional concealment. Motivated by these observations, we argue that generative AI evaluation requires a paradigm shift from static benchmark-centered transparency toward stakeholder, goal, and context-conditioned utility transparency grounded in human outcome trajectories. Existing evaluations primarily characterize properties of model outputs, while deployment success depends on whether interaction with AI improves stakeholders' ability to achieve their goals over time. The missing construct is therefore utility: the change in a stakeholder's capability induced through sustained interaction with an AI system within a deployment context. To operationalize this perspective, we propose SCU-GenEval, a four-stage evaluation framework consisting of stakeholder-goal mapping, construct-indicator specification, mechanism modeling, and longitudinal utility measurement. To make these stages practically deployable, we introduce three supporting instruments: structured deployment protocols, context-conditioned user simulators, and persona- and goal-conditioned proxy metrics. We conclude with domain-specific calls to action, arguing that progress in generative AI must be evaluated through measurable improvements in human outcomes rather than benchmark performance alone.
Authors: Guankai Li, Jiabin Chen, Yi Xu, Xichen Zhang, Yuan Lu
Abstract: Existing multimodal search agents process target entities sequentially, issuing one tool call per entity and accumulating redundant interaction rounds whenever a query decomposes into independent sub-retrievals. We argue that effective multimodal agents should search wider rather than longer: dispatching multiple grounded queries concurrently within a round. To this end, we present HyperEyes, a parallel multimodal search agent that fuses visual grounding and retrieval into a single atomic action, enabling concurrent search across multiple entities while treating inference efficiency as a first-class training objective. HyperEyes is trained in two stages. For cold-start supervision, we develop a Parallel-Amenable Data Synthesis Pipeline covering visual multi-entity and textual multi-constraint queries, curating efficiency-oriented trajectories via Progressive Rejection Sampling. Building on this, our central contribution, a Dual-Grained Efficiency-Aware Reinforcement Learning framework, operates at two levels. At the macro level, we propose TRACE (Tool-use Reference-Adaptive Cost Efficiency), a trajectory-level reward whose reference is monotonically tightened during training to suppress superfluous tool calls without restricting genuine multi-hop search. At the micro level, we adapt On-Policy Distillation to inject dense token-level corrective signals from an external teacher on failed rollouts, mitigating the credit-assignment deficiency of sparse outcome rewards. Since existing benchmarks evaluate accuracy as the sole metric, omitting inference cost, we introduce IMEB, a human-curated benchmark of 300 instances that jointly evaluates search capability and efficiency. Across six benchmarks, HyperEyes-30B surpasses the strongest comparable open-source agent by 9.9% in accuracy with 5.3x fewer tool-call rounds on average.
Authors: Panqi Chen, Yifan Sun, Shikai Fang, Xiao Fu, Lei Cheng
Abstract: Inferring the evolution of high-dimensional and multi-modal (e.g., spatio-temporal) physical fields from irregular sparse measurements in real time is a fundamental challenge in science and engineering. Existing approaches, including diffusion-based generative models and functional tensor methods, typically operate in offline settings, depend on full temporal observations, or incur substantial inference cost. We propose StreamPhy, an end-to-end framework that enables efficient and accurate streaming inference of full-field physical dynamics from incoming irregular sparse measurements. The framework integrates a data-adaptive observation encoder that is robust to arbitrary observation patterns, a structured state-space model that supports memory-efficient online updates across irregular time intervals, and an expressive Functional Tensor Feature-wise Linear Modulation (FT-FiLM) decoder for continuous-field generation. We prove that FT-FiLM is more expressive than the functional Tucker model, admitting a richer function class for handling complex dynamics. Experiments on three representative physical systems under challenging sampling patterns show that StreamPhy consistently outperforms state-of-the-art baselines, with at least 48\% improvement in accuracy and up to 20--100X faster inference than diffusion-based methods.
Authors: Yaxin Hou, Jun Ma, Hanyang Li, Bo Han, Jie Yu, Yuheng Jia
Abstract: Semi-supervised learning faces significant challenges in realistic scenarios where labeled data is scarce and unlabeled data follows unknown, arbitrary distributions. We formalize this critical yet under-explored paradigm as Universal Semi-supervised Learning (UniSSL). Existing methods typically leverage unlabeled data via pseudo-labeling. However, they often rely on the idealized assumption of a uniform unlabeled data distribution or require sufficient labeled data to estimate it. In the UniSSL setting, such dependencies lead to numerous erroneous pseudo-labels, thereby triggering representation confusion. Fortunately, we observe that inter-sample relations captured by representations are more reliable than pseudo-labels. Leveraging this insight, we shift our focus to representation-level structural inference to bypass distribution estimation. Accordingly, we propose Simplex Anchored Graph-state Equipartition (SAGE), which captures high-order inter-sample dependencies to establish structural consensus for guiding representation learning. Meanwhile, to mitigate representation confusion, we employ vectors that satisfy a simplex equiangular tight frame to serve as a coordinate frame for guiding inter-class representation separation. Finally, we introduce a weighting strategy based on distribution-agnostic metrics to prioritize reliable pseudo-labels and an auxiliary branch to isolate potentially erroneous pseudo-labels. Evaluations on five standard benchmarks show that SAGE consistently outperforms state-of-the-art methods, with an average accuracy gain of $\textbf{8.52\%}$.
Authors: Yunho Choi, Jongwon Lim, Woojin Ahn, Minjae Oh, Jeonghoon Shim, Yohan Jo
Abstract: Reinforcement learning with verifiable rewards (RLVR) for Large Reasoning Models hinges on baseline estimation for variance reduction, but existing approaches pay a heavy price: PPO requires a policy-model scale critic, while GRPO needs multiple rollouts per prompt to keep its empirical group mean stable. We introduce Policy Optimization with Internal State Value Estimation), which obtains a baseline at negligible cost by using the policy model's internal signals already computed during the policy forward pass. A lightweight probe predicts the expected verifiable reward from the hidden states of the prompt and generated trajectory, as well as token-entropy statistics, and is trained online alongside the policy. To preserve gradient unbiasedness despite using trajectory-conditioned features, we introduce a cross-rollout construction that predicts each rollout's value from an independent rollout's internal states. Because POISE estimates prompt value using only a single rollout, it enables higher prompt diversity for a fixed compute budget during training. This reduces gradient variance for more stable learning and also eliminates the compute overhead of sampling costs for detecting zero-advantage prompts. On Qwen3-4B and DeepSeek-R1-Distill-Qwen-1.5B across math reasoning benchmarks, POISE matches DAPO while requiring less compute. Moreover, its value estimator shows similar performance to a separate LLM-scale value model and generalizes to various verifiable tasks. By leveraging the model's own internal representations, POISE enables more stable and efficient policy optimization.
Authors: Oscar Davis, Anastasiia Filippova, Pierre Ablin, Victor Turrisi, Amitis Shidani, Marco Cuturi, Louis B\'ethune
Abstract: Continuous diffusion and flow matching models could represent a powerful alternative to autoregressive approaches for language modelling (LM), as they unlock a host of advantages currently reserved for continuous modalities, including accelerated sampling and tilting. Recently, several works have demonstrated the possibility of generating discrete data continuously by a simple flow matching process between a Gaussian and the one-hot encoded data distribution. They have further shown the feasibility of accelerated sampling via Categorical Flow Maps (CFMs), resulting in competitive sample quality in the few-step regime. However, this method had only been evaluated at relatively modest scales ($<1$B), leaving the question of its scalability completely open. In this article, we train a $1.7$B-parameter base flow model on $2.1$T tokens and self-distill it into a CFM that generates diverse, high-quality text in as few as $4$ inference steps while maintaining near-data-level token entropy. Furthermore, we introduce a likelihood bound for CFMs in the semi-discrete setting, and show that they can be used to score the model on standard LM benchmarks, achieving results in the same range as discrete diffusion methods. Finally, we uncover some of the challenges that arise from training these models at scale, and we provide prescriptive insights on loss weighting and time scheduling.
Authors: Tue M. Cao, Hoang X. Nhat, Raed Alharbi, Phi Le Nguyen, My T. Thai
Abstract: Learning hierarchical features in Sparse Autoencoders (SAEs) is essential for capturing the structured nature of real-world data and mitigating issues like feature absorption or splitting. Existing works attempt to identify hierarchical relationships within independent feature sets by relying on activation coverage, the assumption that child feature should only activate when its parent feature activates. However, we demonstrate that this condition alone is insufficient; that is, it often produces false positives where parent and child concepts are semantically unrelated. To address this, we introduce a novel reconstruction condition that enforces a deeper functional link between hierarchical levels. By combining both activation and reconstruction constraints, we propose the Tree SAE, a model designed to learn hierarchical structures directly from within the feature set. Our results demonstrate that Tree SAEs significantly surpass the existing SAEs at learning hierarchical pairs while maintaining competitive performance to the state-of-the-art on several key benchmarks. Finally, we demonstrate the practical utility of our Tree SAE in mapping the geometry of child feature subspaces and uncovering the complex hierarchical concept structures encoded within large language models.
Authors: Po-Wei Wang, Wei-Cheng Chang, J. Zico Kolter
Abstract: In this paper, we propose a low-rank coordinate descent approach to structured semidefinite programming with diagonal constraints. The approach, which we call the Mixing method, is extremely simple to implement, has no free parameters, and typically attains an order of magnitude or better improvement in optimization performance over the current state of the art. We show that the method is strictly decreasing, converges to a critical point, and further that for sufficient rank all non-optimal critical points are unstable. Moreover, we prove that with a step size, the Mixing method converges to the global optimum of the semidefinite program almost surely in a locally linear rate under random initialization. This is the first low-rank semidefinite programming method that has been shown to achieve a global optimum on the spherical manifold without assumption. We apply our algorithm to two related domains: solving the maximum cut semidefinite relaxation, and solving a maximum satisfiability relaxation (we also briefly consider additional applications such as learning word embeddings). In all settings, we demonstrate substantial improvement over the existing state of the art along various dimensions, and in total, this work expands the scope and scale of problems that can be solved using semidefinite programming methods.
Authors: Daniel Daza, Michael Cochez, Paul Groth
Abstract: Knowledge Graphs (KG) are of vital importance for multiple applications on the web, including information retrieval, recommender systems, and metadata annotation. Regardless of whether they are built manually by domain experts or with automatic pipelines, KGs are often incomplete. Recent work has begun to explore the use of textual descriptions available in knowledge graphs to learn vector representations of entities in order to preform link prediction. However, the extent to which these representations learned for link prediction generalize to other tasks is unclear. This is important given the cost of learning such representations. Ideally, we would prefer representations that do not need to be trained again when transferring to a different task, while retaining reasonable performance. In this work, we propose a holistic evaluation protocol for entity representations learned via a link prediction objective. We consider the inductive link prediction and entity classification tasks, which involve entities not seen during training. We also consider an information retrieval task for entity-oriented search. We evaluate an architecture based on a pretrained language model, that exhibits strong generalization to entities not observed during training, and outperforms related state-of-the-art methods (22% MRR improvement in link prediction on average). We further provide evidence that the learned representations transfer well to other tasks without fine-tuning. In the entity classification task we obtain an average improvement of 16% in accuracy compared with baselines that also employ pre-trained models. In the information retrieval task, we obtain significant improvements of up to 8.8% in NDCG@10 for natural language queries. We thus show that the learned representations are not limited KG-specific tasks, and have greater generalization properties than evaluated in previous work.
Authors: Soumyadip Ghosh, Yingdong Lu, Tomasz Nowicki
Abstract: Existing rigorous convergence guarantees for the Hamiltonian Monte Carlo (HMC) algorithm use Gaussian auxiliary momentum variables, which are crucially symmetrically distributed. We present a novel convergence analysis for HMC utilizing new dynamical and probabilistic arguments. The convergence is rigorously established under significantly weaker conditions, which among others allow for general auxiliary distributions. In our framework, we show that plain HMC with asymmetrical momentum distributions breaks a key self-adjointness requirement. We propose a modified version of HMC, that we call the Alternating Direction HMC (AD-HMC), which overcomes this difficulty. Sufficient conditions are established under which AD-HMC exhibits geometric convergence in Wasserstein distance. The geometric convergence analysis is extended to when the Hamiltonian motion is approximated by the leapfrog symplectic integrator, where an additional Metropolis-Hastings rejection step is required. Numerical experiments suggest that AD-HMC can generalize a popular dynamic auxiliary scheme to show improved performance over HMC with Gaussian auxiliaries.
Authors: Yi Cheng, Guanghui Lan, Saeed Masiha, H. Edwin Romeijn
Abstract: We study projection-free methods for functional constrained optimization with convex or smooth nonconvex objectives. Such problems arise in applications such as portfolio optimization and radiation therapy planning, where risk-aware criteria and sparsity frequently appear together. For the convex setting, we propose a Level Conditional Gradient (LCG) method that combines a level-set outer loop with a conditional gradient oracle for saddle-point subproblems, and we show an iteration complexity of $\mathcal{O}\big(\epsilon^{-2}\log(\epsilon^{-1})\big)$ for smooth and nonsmooth cases without dependence on the magnitude of an optimal dual Lagrange multiplier. For the nonconvex setting, we propose the Inexact Proximal Point LCG (IPP-LCG) method, which solves a sequence of convex subproblems by LCG and attains $\mathcal{O}\big(\epsilon^{-3}\log(\epsilon^{-1})\big)$ complexity for computing an \((\epsilon,\epsilon)\)-near-KKT point. Numerical results on portfolio selection and IMRT illustrate the practical sparsity/risk trade-offs of the proposed methods.
Authors: Krzysztof M. Graczyk, Kornel Witkowski
Abstract: We introduce an evidence-driven Bayesian formulation of physics-informed neural networks that enables automatic optimization of loss weights between PDE residuals, boundary conditions, and observational data. Unlike existing Bayesian PINN approaches based on sampling or variational inference, the proposed method uses a Laplace approximation to compute model evidence analytically, enabling efficient hyperparameter tuning and model comparison without posterior sampling. We demonstrate the method on the heat, wave, and Burgers' equations, obtaining solutions in agreement with exact or reference results. In the Burgers' equation example, we further show that the framework naturally integrates information from governing equations and noisy measurements, providing predictive uncertainties within a unified Bayesian setting.
Authors: Yanhua Zhang, Ke Zhang, Jingyu Wang, Gabriella Balestra, Samanta Rosati, Yulin Wu, Wuwei Wang, Valentina Giannini
Abstract: U-shaped architectures have long dominated the field of medical image segmentation, while Transformers are widely employed for modeling long-range dependencies. The former typically handles scale variations implicitly by aggregating multi-level features, whereas the efficiency of the latter is constrained by its quadratic computational and memory complexity. In this work, we propose an effective alternative to traditional U-shaped architectures by constructing parallel branches at different levels to obtain multi-scale features and corresponding predictions. Furthermore, we enhance our network by integrating Mamba, a state space model that captures long-range dependencies with linear complexity. First, a dual-path architecture with lateral connections aggregates high-level semantic information and low-level spatial details at each branch. Then, we introduce a Recursive Alignment Module (RAM) that restores spatial details in low-resolution features through stepwise alignment, optimizing them for subsequent global feature learning and multi-scale fusion. We further build parallel Mamba branches upon aligned features to establish hierarchical global representations. Finally, we propose a Mamba-based attention mechanism for adaptive multi-scale prediction fusion; this mechanism utilizes Mamba to enhance information exchange across scales along both the channel and spatial dimensions. Experiments across three imaging modalities (MRI, CT, and dermoscopy) underscore the superior generalization of the proposed network. Compared to state-of-the-art 2D CNN, Transformer, and Mamba-based networks, our model achieves the highest segmentation performance on the Synapse, ACDC, ISIC-2018, and PH2 datasets while maintaining high efficiency, featuring the second-smallest parameters (14.05 M) and moderate computational complexity (8.94 GFLOPs).
Authors: Md Jobayer, Md. Mehedi Hasan Shawon, Md Zakir Hossain, Shreya Ghosh, Imre Rudas, Tom Gedeon, Md Rakibul Hasan
Abstract: Heart murmurs are abnormal sounds caused by turbulent blood flow in the heart. Several diagnostic methods are available to detect heart murmurs and their severity, including cardiac auscultation, echocardiography, and phonocardiography (PCG). However, these methods have limitations, including the need for extensive training among healthcare providers, the cost and accessibility of echocardiography, and noise interference during PCG data processing. This study proposes an end-to-end real-time heart murmur detection approach using traditional and depthwise separable convolutional networks. We applied a Butterworth filter and Continuous Wavelet Transform (CWT) to eliminate noise and extract meaningful features from the PCG data. The proposed network consists of three parts: a Squeeze net that generates a compressed data representation, a Bottleneck layer that minimizes computational complexity using depthwise-separable convolutions, and an Expansion net that up-samples the data to capture fine details. We evaluated our model on the publicly available CirCor pediatric heart sound dataset. Using only $\sim$5.4k parameters, we achieved an accuracy of 85%, a sensitivity of 85%, and a specificity of 92%, successfully outperforming several larger models. Furthermore, we converted our network into a TinyML format and tested it on two resource-constrained devices, achieving an average real-time inference accuracy of 91% on a Raspberry Pi 4B and 80% on an Android smartphone. The proposed lightweight model offers a robust deep learning framework for accurate, real-time heart murmur detection, showing strong promise for accessible medical diagnostics in limited-resource environments. The code is publicly available at https://github.com/jobayer/FunnelNet.
Authors: Alexander Kenneth Clarke, Dimitrios Halatsis, Agnese Grison, Irene Mendez Guerra, Noura Ezaz-Nikpay, Pranav Mamidanna, Shihan Ma, Silvia Muceli, Dario Farina
Abstract: Decomposing surface electromyography (EMG) into the spike trains of individual motor neurons is a long-standing inverse problem and a key step toward motor-neuron-driven neural interfaces such as prosthetics and exoskeletons. The standard approach, independent component analysis (ICA) of the multichannel signal, assumes that the mixing from neurons to electrodes is stationary in time. This assumption fails during movement, when volume-conductor deformation makes the mixing time-varying, and current decomposition algorithms are correspondingly restricted to isometric contractions. We introduce a quasi-linear ICA formulation in which a static linear separator is preceded by a learned, low-rank, time-varying invertible transformation. The separator is trained with an independence loss on the uncompensated projection, and the transformation with a stationarity loss on the recovered source. Gradients are not shared between the two, so the source-extraction step reduces to classical linear ICA and inherits its identifiability guarantee, while non-stationary distortion is absorbed by the transformation. The closed-form inverse of the transformation enables per-spike subtraction with a time-varying template during sequential peel-off. On a public benchmark of dynamic high-density EMG with ground-truth spike trains, the method outperforms four adaptive ICA baselines at every recall threshold, recovering more units at a higher accuracy.
Authors: Jane H. Lee, Anay Mehrotra, Manolis Zampetakis
Abstract: We study the estimation of distributional parameters when samples are shown only if they fall in some unknown set $S \subseteq \mathbb{R}^d$. Kontonis, Tzamos, and Zampetakis (FOCS'19) gave a $d^{\mathrm{poly}(1/\varepsilon)}$ time algorithm for finding $\varepsilon$-accurate parameters for the special case of Gaussian distributions with diagonal covariance matrix. Recently, Diakonikolas, Kane, Pittas, and Zarifis (COLT'24) showed that this exponential dependence on $1/\varepsilon$ is necessary even when $S$ belongs to some well-behaved classes. These works leave the following open problems which we address in this work: Can we estimate the parameters of any Gaussian or even extend beyond Gaussians? Can we design $\mathrm{poly}(d/\varepsilon)$ time algorithms when $S$ is a simple set such as a halfspace? We make progress on both of these questions by providing the following results: 1. Toward the first question, we give a $d^{\mathrm{poly}(\ell/\varepsilon)}$ time algorithm for any exponential family that satisfies some structural assumptions and any unknown set $S$ that is $\varepsilon$-approximable by degree-$\ell$ polynomials. This result has two important applications: 1a) The first algorithm for estimating arbitrary Gaussian distributions from samples truncated to an unknown $S$; and 1b) The first algorithm for linear regression with unknown truncation and Gaussian features. 2. To address the second question, we provide an algorithm with runtime $\mathrm{poly}(d/\varepsilon)$ that works for a set of exponential families (containing all Gaussians) when $S$ is a halfspace or an axis-aligned rectangle. Along the way, we develop tools that may be of independent interest, including, a reduction from PAC learning with positive and unlabeled samples to PAC learning with positive and negative samples that is robust to certain covariate shifts.
Authors: Yanbo Zhang, Benedikt Hartl, Hananel Hazan, Michael Levin
Abstract: In a convergence of machine learning and biology, we reveal that diffusion models are evolutionary algorithms. By considering evolution as a denoising process and reversed evolution as diffusion, we mathematically demonstrate that diffusion models inherently perform evolutionary algorithms, naturally encompassing selection, mutation, and reproductive isolation. Building on this equivalence, we propose the Diffusion Evolution method: an evolutionary algorithm utilizing iterative denoising -- as originally introduced in the context of diffusion models -- to heuristically refine solutions in parameter spaces. Unlike traditional approaches, Diffusion Evolution efficiently identifies multiple optimal solutions and outperforms prominent mainstream evolutionary algorithms. Furthermore, leveraging advanced concepts from diffusion models, namely latent space diffusion and accelerated sampling, we introduce Latent Space Diffusion Evolution, which finds solutions for evolutionary tasks in high-dimensional complex parameter space while significantly reducing computational steps. This parallel between diffusion and evolution not only bridges two different fields but also opens new avenues for mutual enhancement, raising questions about open-ended evolution and potentially utilizing non-Gaussian or discrete diffusion models in the context of Diffusion Evolution.
Authors: Zijie Zhao, Roy E. Welsch
Abstract: Automated equity trading requires converting noisy market and news signals into executable portfolio decisions under risk, turnover, and transaction costs. We propose Hierarchical Reinforced Trader (HRT), a bi-level reinforcement learning framework for text-aware portfolio management in multi-asset equity markets. HRT separates trading into two coordinated decisions: a factorized sparse High-Level Controller (HLC) selects asset-level increase, reduce, or hold directions from compact market and text-derived signals, while a risk-aware Low-Level Controller (LLC) converts these directions into feasible portfolio weight adjustments under turnover, drawdown, and text-risk penalties. This decomposition avoids enumerating the full joint action space and makes selection and execution easier to inspect. We evaluate HRT on an open stock-news benchmark with a fixed 89-stock Nasdaq universe, using 2013--2018 for training, 2019 for validation, and 2020--2023 for final out-of-sample testing; the test horizon is restricted to 2020--2023 due to public benchmark data availability under the same timestamp-clean text-aware protocol. Across market-proxy, same-universe portfolio, alpha-only, flat-RL, and hierarchical ablation baselines, HRT delivers the strongest learning-based return--risk--cost trade-off. The full model improves Sharpe from 1.06 for HRT-Base to 1.24, reduces daily turnover from 0.112 to 0.090, and remains robust under transaction-cost stress. These results suggest that separating sparse directional selection from risk-aware execution is an effective way to incorporate market forecasts and text-derived risk signals into portfolio management.
Authors: Getoar Sopa, Juraj Marusic, Marco Avella Medina, John P. Cunningham
Abstract: Hyperparameter tuning is a key component of machine learning procedures, but when validation data contain sensitive user information, search mechanisms can leak private information through the selected configuration. Existing differentially private hyperparameter tuning methods often rely on near-random search, while prior differentially private Bayesian optimization approaches are typically global and, therefore, scale poorly with the hyperparameter dimensionality. We study differentially private hyperparameter tuning using local Bayesian optimization, focusing on settings where the validation objective is available only through noisy black box evaluations and gradients are unavailable or impractical to compute. We introduce DP-GIBO, a differentially private local Bayesian optimization framework that privately approximates gradients using a Gaussian Process surrogate. Under suitable conditions, we prove that DP-GIBO converges to a locally optimal hyperparameter configuration up to a privacy-dependent error, with dimensional dependence that is polynomial rather than exponential.Empirically, we show that DP-GIBO provides scalable private hyperparameter tuning across multiple tasks, substantially outperforming non-private random search and global Bayesian optimization baselines in moderate-to-high-dimensional hyperparameter spaces.
Authors: Runyao Yu, Yuchen Tao, Fabian Leimgruber, Tara Esterl, Jochen Stiasny, Derek W. Bunn, Qingsong Wen, Hongye Guo, Jochen L. Cremer
Abstract: Probabilistic intraday electricity price forecasting is becoming increasingly important for short-term power-system operation. With increasing renewable generation, demand-side flexibility, and storage assets, market participants need to adjust their positions under uncertainty closer to delivery. Continuous intraday (CID) markets support this process by providing updated price signals, helping participants manage imbalance exposure and operational risk. Unlike auction markets, CID trading in many jurisdictions is characterized by the continuous posting of buy and sell orders. This dynamic orderbook microstructure of price formation presents special challenges for price forecasting. Conventional methods represent the orderbook via domain features aggregated from buy and sell trades, or by treating it as a multivariate time series, but such representations neglect the full buy-sell interaction structure of the orderbook. This research therefore develops a new order fusion methodology, which is an end-to-end and parameter-efficient probabilistic forecasting model that learns a interaction-aware representation of the buy-sell dynamics. Furthermore, as quantile crossing is often a problem in probabilistic forecasting, this approach hierarchically estimates the quantiles with non-crossing constraints. Extensive experiments on CID price indices across high- and low-liquidity European markets demonstrate consistent improvements over conventional baselines, and ablation studies highlight the contributions of the main components.The methodology is available at: https://runyao-yu.github.io/OrderFusion/.
Authors: Wenbo Zhang, Hengrui Cai, Wenyu Chen
Abstract: Large language models (LLMs) have demonstrated significant utility in real-world applications, exhibiting impressive capabilities in natural language processing and understanding. Benchmark evaluations are crucial for assessing the capabilities of LLMs as they can provide a comprehensive assessment of their strengths and weaknesses. However, current evaluation methods often overlook the inherent randomness of LLMs by employing deterministic generation strategies or relying on a single random sample, resulting in unaccounted sampling variance and unreliable benchmark score estimates. In this paper, we propose a hierarchical statistical model that provides a more comprehensive representation of the benchmarking process by incorporating both benchmark characteristics and LLM randomness. We show that leveraging multiple generations improves the accuracy of estimating the benchmark score and reduces variance. Multiple generations also allow us to define $\mathbb P\left(\text{correct}\right)$, a prompt-level difficulty score based on correct ratios, providing fine-grained insights into individual prompts. Additionally, we create a data map that visualizes difficulty and semantics of prompts, enabling error detection and quality control in benchmark construction.
Authors: Li Kevin Wenliang, Anian Ruoss, Jordi Grau-Moya, Marcus Hutter, Tim Genewein
Abstract: Frontier models can be prompted or conditioned to do many tasks, but finding good prompts is not always easy, nor is understanding some performant prompts. We view prompting as finding the best conditioning sequence on a near-optimal sequence predictor. On numerous well-controlled experiments, we show that unintuitive optimal conditioning sequences can be better understood given the pretraining distribution, which is not usually available. Even using exhaustive search, reliably identifying optimal prompts for practical neural predictors can be surprisingly difficult. Popular prompting methods, such as using demonstrations from the targeted task, can be surprisingly suboptimal. Using the same empirical framework, we analyze optimal prompts on frontier models, revealing patterns similar to the binary examples and previous findings. Taken together, this work takes an initial step towards understanding optimal prompts, from a statistical and empirical perspective that complements research on frontier models.
Authors: Yifan Hu, Yuante Li, Peiyuan Liu, Yuxia Zhu, Naiqi Li, Tao Dai, Shu-tao Xia, Dawei Cheng, Changjun Jiang
Abstract: Financial time series (FinTS) record the behavior of human-brain-augmented decision-making, capturing valuable historical information that can be leveraged for profitable investment strategies. Not surprisingly, this area has attracted considerable attention from researchers, who have proposed a wide range of methods based on various backbones. However, the evaluation of the area often exhibits three systemic limitations: 1. Failure to account for the full spectrum of stock movement patterns observed in dynamic financial markets. (Diversity Gap), 2. The absence of unified assessment protocols undermines the validity of cross-study performance comparisons. (Standardization Deficit), and 3. Neglect of critical market structure factors, resulting in inflated performance metrics that lack practical applicability. (Real-World Mismatch). Addressing these limitations, we propose FinTSB, a comprehensive and practical benchmark for financial time series forecasting (FinTSF). To increase the variety, we categorize movement patterns into four specific parts, tokenize and pre-process the data, and assess the data quality based on some sequence characteristics. To eliminate biases due to different evaluation settings, we standardize the metrics across three dimensions and build a user-friendly, lightweight pipeline incorporating methods from various backbones. To accurately simulate real-world trading scenarios and facilitate practical implementation, we extensively model various regulatory constraints, including transaction fees, among others. Finally, we conduct extensive experiments on FinTSB, highlighting key insights to guide model selection under varying market conditions. Overall, FinTSB provides researchers with a novel and comprehensive platform for improving and evaluating FinTSF methods. The code is available at https://github.com/TongjiFinLab/FinTSB.
Authors: Haorui Wang, Jeff Guo, Lingkai Kong, Rampi Ramprasad, Philippe Schwaller, Yuanqi Du, Chao Zhang
Abstract: Retrosynthesis, the process of breaking down a target molecule into simpler precursors through a series of valid reactions, stands at the core of organic chemistry and drug development. Although recent machine learning (ML) research has advanced single-step retrosynthetic modeling and subsequent route searches, these solutions remain restricted by the extensive combinatorial space of possible pathways. Concurrently, large language models (LLMs) have exhibited remarkable chemical knowledge, hinting at their potential to tackle complex decision-making tasks in chemistry. In this work, we explore whether LLMs can successfully navigate the highly constrained, multi-step retrosynthesis planning problem. We introduce an efficient scheme for encoding reaction pathways and present a new route-level search strategy, moving beyond the conventional step-by-step reactant prediction. Through comprehensive evaluations, we show that our LLM-augmented approach excels at retrosynthesis planning and extends naturally to the broader challenge of synthesizable molecular design.
Authors: Jayshawn Cooper, Pilhwa Lee
Abstract: The sliced Wasserstein flow (SWF), a nonparametric and implicit generative gradient flow, is transformed into a Liouville partial differential equation (PDE)-based formalism. First, the stochastic diffusive term from the Fokker-Planck equation-based Monte Carlo is reformulated as a Liouville PDE-based transport without the diffusive term, essentially reflecting the probability flow ODE. The involved density estimation is handled by normalizing flows of neural ODE without an explicitly defined score function. Next, the computation of the Wasserstein barycenter is approximated by the Liouville PDE-based SWF barycenter with the prescription of Kantorovich potentials for the induced gradient flow to generate its samples. These two efforts show outperforming convergence in training and testing Liouville PDE-based SWF and SWF barycenters with reduced variance. Applying the generative Liouville PDE-based SWF barycenter for fair regression demonstrates competent profiles in the accuracy-fairness Pareto curves, with comparable and alternative choices against the standard SWF, and significant benefit in improving fairness with scalability in comparison to the exact Wasserstein barycenter.
Authors: Chenhao Zheng, Jieyu Zhang, Mohammadreza Salehi, Ziqi Gao, Vishnu Iyengar, Norimasa Kobori, Quan Kong, Ranjay Krishna
Abstract: Effective video tokenization is critical for scaling transformer models for long videos. Current approaches tokenize videos using space-time patches, leading to excessive tokens and computational inefficiencies. The best token reduction strategies degrade performance and barely reduce the number of tokens when the camera moves. We introduce grounded video tokenization, a paradigm that organizes tokens based on panoptic sub-object trajectories rather than fixed patches. Our method aligns with fundamental perceptual principles, ensuring that tokenization reflects scene complexity rather than video duration. We propose TrajViT, a video encoder that extracts object trajectories and converts them into semantically meaningful tokens, significantly reducing redundancy while maintaining temporal coherence. Trained with contrastive learning, TrajViT significantly outperforms space-time ViT (ViT3D) across multiple video understanding benchmarks, e.g., TrajViT outperforms ViT3D by a large margin of 6% top-5 recall in average at video-text retrieval task with 10x token deduction. We also show TrajViT as a stronger model than ViT3D for being the video encoder for modern VideoLLM, obtaining an average of 5.2% performance improvement across 6 VideoQA benchmarks while having 4x faster training time and 18x less inference FLOPs. TrajViT is the first efficient encoder to consistently outperform ViT3D across diverse video analysis tasks, making it a robust and scalable solution.
Authors: Kureha Yamaguchi, Benjamin Etheridge, Andy Arditi
Abstract: Chat models without chain-of-thought (CoT) reasoning must decide whether to refuse a harmful request before generating their first response token. Reasoning models, by contrast, produce extended chains of thought before their final output, raising a natural question: where in this process does the decision to refuse occur? We investigate this across four open-source reasoning models. We first show that the CoT causally influences refusal outcomes; fixing a specific reasoning trace substantially reduces variance in whether the model ultimately refuses or complies. Zooming into the reasoning trace, we find that in distilled models, subtle differences in the opening sentence of the CoT can fully determine the model's refusal decision, and that these patterns transfer across models distilled from the same teacher. Finally, we extract linear refusal directions from model activations and show that ablating them increases harmful compliance, though less reliably than the same technique achieves on non-reasoning models, and with non-negligible degradation to general capabilities.
Authors: Toluwani Aremu, Noor Hussein, Munachiso Nwadike, Samuele Poppi, Jie Zhang, Karthik Nandakumar, Neil Gong, Nils Lukas
Abstract: Watermarking enables GenAI providers to verify whether content was generated by their models. A watermark is a hidden signal in the content, whose presence can be detected using a secret watermark key. A core security threat are forgery attacks, where adversaries insert the provider's watermark into content \emph{not} produced by the provider, potentially damaging their reputation and undermining trust. Existing defenses resist forgery by embedding many watermarks with multiple keys into the same content, which can degrade model utility. However, forgery remains a threat when attackers can collect sufficiently many watermarked samples. We propose a defense that is provably forgery-resistant \emph{independent} of the number of watermarked content collected by the attacker, provided they cannot easily distinguish watermarks from different keys. Our scheme does not further degrade model utility. We randomize the watermark key selection for each query and accept content as genuine only if a watermark is detected by \emph{exactly} one key. We focus on the image and text modalities, but our defense is modality-agnostic, since it treats the underlying watermarking method as a black-box. Our method provably bounds the attacker's success rate and we empirically observe a reduction from near-perfect success rates to only $2\%$ at negligible computational overhead.
Authors: Arvind Prasadan
Abstract: Canonical correlation analysis (CCA) is a technique for finding correlated sets of features between two datasets. In this paper, we propose a novel extension of CCA to the online, streaming data setting: Sliding Window Informative Canonical Correlation Analysis (SWICCA). Our method uses a streaming principal component analysis (PCA) algorithm as a backend and uses these outputs combined with a small sliding window of samples to estimate the CCA components in real time. We motivate and describe our algorithm, provide numerical simulations to characterize its performance, and provide a theoretical performance guarantee. The SWICCA method is applicable and scalable to extremely high dimensions, and we provide a real-data example that demonstrates this capability.
Authors: Yunyue Su, Jiahui Chen, Zao Jiang, Zhenyi Zhong, Liang Wang, Qiang Liu, Zhaoxiang Zhang
Abstract: Automated molecular structure elucidation remains challenging, as existing approaches often depend on pre-compiled databases or restrict themselves to single spectroscopic modalities. Here we introduce SpectraLLM, a large language model that performs end-to-end structure prediction by reasoning over one or multiple spectra. Unlike conventional spectrum-to-structure pipelines, SpectraLLM represents both continuous (IR, Raman, UV-Vis, NMR) and discrete (MS) modalities in a shared language space, enabling it to capture substructural patterns that are complementary across different spectral types. We pretrain and fine-tune the model on small-molecule domains and evaluate it on four public benchmark datasets. SpectraLLM achieves state-of-the-art performance, substantially surpassing single-modality baselines. Moreover, it demonstrates strong robustness in unimodal settings and further improves prediction accuracy when jointly reasoning over diverse spectra, establishing a scalable paradigm for language-based spectroscopic analysis. Code is available at https://github.com/OPilgrim/SpectraLLM.
Authors: Hoang Nguyen, Sidharth Surapaneni, Akshay Kalkunte, Jash Mehta, Aman Tiwari, Oluwanifemi Bamgbose, Khyati Mahajan, Jash Shah, Shruthan Radhakrishna, Sathwik Tejaswi Madhusudhan, Vikas Yadav, Sai Rajeswar
Abstract: Large Audio Language Models (LALMs) are rapidly advancing, but evaluating them remains challenging due to inefficient and non-standardized toolkits that limit fair comparison and systematic assessment. Existing evaluation frameworks exhibit three critical limitations: (1) slow and inefficient processing pipeline that bottlenecks large-scale studies, (2) inadequate multi-turn dialogue support, leaving fundamental questions about cross-turn context integration and performance dynamics over extended conversations in LALMs unanswered; and (3) the absence of unified and scalable evaluation framework capable of keeping pace with the rapid growth of both LALMs and audio benchmarks. To address these issues, we introduce AU-Harness, an efficient and comprehensive evaluation framework for LALMs. Our system achieves a speedup of up to 151% over existing evaluation toolkits through optimized batch processing and parallel execution, enabling large-scale evaluations previously considered impractical. We provide standardized prompting protocols and flexible configurations for fair model comparison across diverse scenarios. AU-Harness unlocks a range of in-depth analyses difficult to conduct without a unified foundation, including multi-turn dialogue dynamics, enabling the study of true audio reasoning capabilities in existing LALMs. AU-Harness provides both practical evaluation tools and insights into model limitations, advancing systematic LALM development.
Authors: Yuanchen Wu, Yubai Yuan
Abstract: Estimating causal effects on networks is challenging because treatments may affect both treated units and their neighbors, while network homophily induces dependence and confounding. These challenges are amplified when causal effects are heterogeneous across units and edges. We propose a two-stage orthogonal learning framework for estimating heterogeneous direct and spillover effects on networks. The first stage uses graph neural networks to estimate nuisance components that capture complex dependence on covariates and network structure. The second stage residualizes these nuisance components and estimates causal effects through an interpretable attention-based interference model, yielding edge-level spillover estimates as well as node- and population-level summaries. Neyman orthogonalization and cross-fitting reduce sensitivity to first-stage estimation error, so nuisance errors enter only at higher order. We further develop a bootstrap-based uncertainty quantification procedure for the estimated spillover matrix, enabling pointwise and simultaneous inference for heterogeneous edge- and node-level effects. Experiments show that our method improves heterogeneous effect estimation while supporting interpretable downstream analyses such as influential-neighbor detection and spillover-sign recovery.
Authors: Naibin Gu, Zhenyu Zhang, Yuchen Feng, Yilong Chen, Peng Fu, Zheng Lin, Shuohuan Wang, Yu Sun, Hua Wu, Weiping Wang, Haifeng Wang
Abstract: Mixture-of-Experts (MoE) models typically fix the number of activated experts $k$ at both training and inference. However, real-world deployments often face heterogeneous hardware, fluctuating workloads, and diverse quality-latency requirements, while training separate models for each scenario is costly. Considering that MoE models already operate with sparse activation, adjusting the number of activated experts offers a natural path to serving diverse budgets with a single model. Yet, we find that activating more experts $k'$ ($> k$) at inference does not yield the expected gains. Instead, performance degrades rapidly after only a slight increase, a phenomenon we term the \textit{inference-time scaling wall}. Further investigation reveals that this degradation stems from a lack of learned collaboration among experts. To address this, we introduce \textbf{Elastic Mixture-of-Experts (EMoE)}, a novel training framework that enables MoE models to elastically vary the number of activated experts at inference. By simultaneously training experts to collaborate in diverse combinations and encouraging the router to make high-quality selections, EMoE ensures robust performance across inference budgets. Extensive experiments across four MoE architectures (7B--21B) and nine benchmarks show that EMoE significantly expands the effective scaling range to 2-3$\times$ the training-time $k$, while also achieving higher peak performance.
Authors: Yonghan Jung
Abstract: In observational settings where treatment and outcome share unmeasured confounders but an observed mediator remains unconfounded, the front-door (FD) adjustment identifies causal effects through the mediator. We study the heterogeneous treatment effect (HTE) under FD identification and introduce two debiased learners: FD-DR-Learner and FD-R-Learner. Under explicit sample-splitting, bounded-overlap, moment, and stage-learning assumptions, we show that FD-DR satisfies a product-error bound and FD-R satisfies a stage-error decomposition; these results yield conditional quasi-oracle corollaries when the relevant nuisance remainders are no larger than the target or stage oracle terms. We provide error analyses establishing this debiasedness and demonstrate robust empirical performance in synthetic studies and a real-world case study of primary seat-belt laws using Fatality Analysis Reporting System (FARS) dataset. Together, these results indicate that the proposed learners can deliver reliable and sample-efficient HTE estimates in FD scenarios when the stated assumptions are credible. The implementation is available at https://github.com/yonghanjung/FD-CATE.
Authors: Dennis Jacob, Emad Alghamdi, Zhanhao Hu, Basel Alomair, David Wagner
Abstract: Modern language models have enabled the development of agentic systems that achieve strong performance on reasoning-intensive tasks. Unfortunately, this has come with a security cost; these systems are vulnerable to prompt injection, a specialized attack where an adversary subverts the intended functionality of an agent by supplying an injected task of their own. Previous approaches address this challenge with detectors and fine-tuning defenses but are vulnerable to adaptive attacks. Other methods propose system-level defenses that guarantee security, but these are often based on techniques that prevent inter-component communication and thus are constrained in problem coverage. To this end, we introduce type-directed privilege separation, a new technique that expands the set of tasks that can be protected with system-level defenses. Our method works by converting untrusted data to a curated set of data types; unlike raw strings, each data type is limited in scope and content, eliminating the possibility for prompt injection. We evaluate our method across several case studies and find that designs using our principles can systematically prevent prompt injection attacks while featuring strong, non-trivial utility. Our approach is intuitive to understand and compatible with any language model.
Authors: Xiaoyu Yang, En Yu, Wei Duan, Jie Lu
Abstract: This paper identifies a critical yet underexplored challenge in reasoning alignment from multiple multi-modal large language models (MLLMs): In non-stationary environments, the diverse reasoning distributions of source models often evolve unpredictably, transmitting systematic biases and drift to the target model. To address this, we formulate multi-source reasoning alignment as a constraint satisfaction problem under concept drift theory. We propose Autonomous Preference Optimization (APO), a novel framework that treats inter-model divergences not as noise, but as dynamic negative constraints. APO operates via a two-stage protocol: first, supervised bootstrapping projects the target model into the capability union of source models; second, constraint-aware optimization synthesizes a consistent consensus manifold by explicitly suppressing drifting trajectories via a multi-negative Plackett-Luce objective. Extensive experiments on chest X-ray interpretation demonstrate that our 7B model achieves superior robustness, outperforming even proprietary source models in average accuracy. Furthermore, we release CXR-MAX, a large-scale benchmark comprising 170,982 reasoning trajectories from seven large-scale MLLMs to facilitate research on reasoning alignment under drift. Code and data are available at: https://github.com/XiaoyuYoung/APO.
Authors: Antti Koskela, Mohamed Seif, H. Vincent Poor, Andrea J. Goldsmith
Abstract: We study spectral graph clustering under edge differential privacy. We propose a matrix shuffling mechanism that combines randomized edge flipping with a random permutation of the adjacency matrix. While edge flipping alone provides only a constant $\varepsilon$ guarantee as the graph grows, shuffling amplifies privacy so that the effective $\varepsilon$ tends to zero with the number of nodes. We develop a unified error analysis framework -- based on Davis--Kahan perturbation theory and a classification-margin bound -- that gives explicit misclassification rates for all the mechanisms considered as a function of the privacy budget, eigengap, and number of communities. Applying this framework, we show that the matrix shuffling mechanism achieves an error rate scaling of $\tilde{O}(1/n)$, a clear improvement over two canonical DP baselines from the private PCA literature: the Gaussian mechanism applied directly to the adjacency matrix (Analyze Gauss) and the noisy power method, both of which scale as $\tilde{O}(1)$ in $n$. We further propose a private spectral gap detection algorithm for estimating the number of communities. Experiments on synthetic and real-world networks validate our theoretical findings.
Authors: Shahriar Kabir Nahin, Hadi Askari, Muhao Chen, Anshuman Chhabra
Abstract: Test-Time Scaling (TTS) improves LLM reasoning by exploring multiple candidate responses and then operating over this set to find the best output. A tacit premise behind TTS is that sufficiently diverse candidate pools enhance reliability. In this work, we show that this assumption in TTS introduces a previously unrecognized failure mode. When candidate diversity is curtailed, even by a modest amount, TTS becomes much more likely to produce unsafe outputs. We present a reference-guided diversity reduction protocol (RefDiv) that serves as a diagnostic attack to stress test TTS pipelines. Through extensive experiments across open-source models (e.g. Qwen3, Mistral, Llama3.1, Gemma3) and two widely used TTS strategies (Monte Carlo Tree Search and Best-of-N), constraining diversity consistently signifies the rate at which TTS produces unsafe results. The effect is often stronger than that produced by prompts directly with high adversarial intent scores. This observed phenomenon also transfers across TTS strategies and to closed-source models (e.g. OpenAI o3-mini and Gemini-2.5-Pro), thus indicating that this is a general and extant property of TTS rather than a model-specific artifact. Additionally, we find that numerous widely used safety guardrail classifiers (e.g. Llama-Guard), are unable to flag the adversarial input prompts generated by RefDiv, demonstrating that existing defenses offer limited protection against this diversity-driven failure mode.
Authors: Xinhu Li, Ayush Jain, Zhaojing Yang, Yigit Korkmaz, Erdem B{\i}y{\i}k
Abstract: Learning from demonstrations enables experts to teach robots complex tasks using interfaces such as kinesthetic teaching, joystick control, and sim-to-real transfer. However, these interfaces often constrain the expert's ability to demonstrate optimal behavior due to indirect control, setup restrictions, and hardware safety. For example, a joystick can move a robotic arm only in a 2D plane, even though the robot operates in a higher-dimensional space. As a result, the demonstrations collected by constrained experts lead to suboptimal performance of the learned policies. This raises a key question: Can a robot learn a better policy than the one demonstrated by a constrained expert? We address this by allowing the agent to go beyond direct imitation of expert actions and explore shorter and more efficient trajectories. We use the demonstrations to infer a state-only reward signal that measures task progress, and self-label reward for unknown states using temporal interpolation. Our approach outperforms common imitation learning in both sample efficiency and task completion time. On a real WidowX robotic arm, it completes the task in 12 seconds, 10x faster than behavioral cloning, as shown in real-robot videos on https://sites.google.com/view/constrainedexpert .
Authors: Murad Dawood, Usama Ahmed Siddiquie, Shahram Khorshidi, Maren Bennewitz
Abstract: Safe reinforcement learning (RL) seeks to mitigate unsafe behaviors that arise from exploration during training by reducing constraint violations while maintaining task performance. Existing approaches typically rely on a single policy to jointly optimize reward and safety, which can cause instability due to conflicting objectives, or they use external safety filters that override actions and require prior system knowledge. In this paper, we propose a modular cost-aware regulator that scales the agent's actions based on predicted constraint violations, preserving exploration through smooth action modulation rather than overriding the policy. The regulator is trained to minimize constraint violations while avoiding degenerate suppression of actions. Our approach integrates seamlessly with off-policy RL methods such as SAC and TD3, and achieves state-of-the-art return-to-cost ratios on Safety Gym locomotion tasks with sparse costs, reducing constraint violations by up to 126 times while increasing returns by over an order of magnitude compared to prior methods.
Authors: ElMouatez Billah Karbab, Mourad Debbabi
Abstract: Malware proliferation is increasing at a tremendous rate, with hundreds of thousands of new samples identified daily. Manual investigation of such a vast amount of malware is an unrealistic, time-consuming, and overwhelming task. To cope with this volume, there is a clear need to develop specialized techniques and efficient tools for preliminary filtering that can group malware based on semantic similarity. In this paper, we propose TrapNet, a novel, scalable, and unsupervised framework for malware fingerprinting and grouping. TrapNet employs graph community detection techniques for malware fingerprinting and family attribution based on static analysis, as follows: (1) TrapNet detects packed binaries and unpacks them using known generic packer tools. (2) From each malware sample, it generates a digest that captures the underlying semantics. Since the digest must be dense, efficient, and suitable for similarity checking, we designed FloatHash (FH), a novel numerical fuzzy hashing technique that produces a short real-valued vector summarizing the underlying assembly items and their order. FH is based on applying Principal Component Analysis (PCA) to ordered assembly items (e.g., opcodes, function calls) extracted from the malware's assembly code. (3) Representing malware with short numerical vectors enables high-performance, large-scale similarity computation, which allows TrapNet to build a malware similarity network. (4) Finally, TrapNet employs state-of-the-art community detection algorithms to identify dense communities, which represent groups of malware with similar semantics. Our extensive evaluation of TrapNet demonstrates its effectiveness in terms of the coverage and purity of the detected communities, while also highlighting its runtime efficiency, which outperforms other state-of-the-art solutions.
Authors: Luigi Foscari, Emanuele Guidotti, Nicol\`o Cesa-Bianchi, Tatjana Chavdarova, Alfio Ferrara
Abstract: We study overpricing in a repeated game between two representative agents: a market maker, who controls market liquidity, and a market taker, who chooses trade quantities. Market prices evolve through the endogenous price impact of trades and exogenous shocks. We define overpricing relative to a counterfactual price path that holds fixed the same sequence of shocks while shutting down price impact, and characterize the set of feasible strategy profiles that generate persistent overpricing while respecting cash and inventory constraints. We provide a sufficient condition for decentralized learning to reach the overpricing region in finite time, and we show that this condition is satisfied, in particular, by projected stochastic gradient ascent. A key step in the analysis is a decomposition of the game into a competitive component, which favors zero price impact, and a collaborative component, which makes overpricing jointly profitable when aggregate inventory is positive. We further show that the same structural incentives govern both myopic and farsighted objectives. Together, these results show how decentralized learning by adaptive market agents can lead to persistent overpricing in financial markets.
Authors: Yair Feldman, Yoav Artzi
Abstract: Context compression reduces Transformer inference costs by replacing lengthy inputs with shorter pre-computed representations. It carries significant benefits for retrieval-augmented generation (RAG) and has attracted growing research attention. However, progress remains difficult to measure due to inconsistent evaluations and baselines. We design a standard, easy-to-reproduce evaluation suite for context compression, BenchPress, along with simple, high-performance baselines for English reading comprehension. BenchPress supports benchmarking across model scales, datasets, compression ratios, and short ($<$1K tokens) to mid-range ($<$8K tokens) contexts. While the suite is applicable to any compression paradigm, our baselines target soft context compression. We establish two simple baselines that strongly outperform the widely used causal compression-token approach: mean pooling and a bidirectional compression-token variant. Our results show the benefit of bidirectional attention when computing compressed representations, and that simple pooling is an expressive compression operator.
Authors: M Yashwanth, Sharannya Ghosh, Aditay Tripathi, Anirban Chakraborty
Abstract: Visual Prompt Tuning (VPT) of pre-trained Vision Transformers (ViTs) has proven highly effective as a parameter-efficient fine-tuning technique for adapting large models to downstream tasks with limited data. Its parameter efficiency makes it particularly suitable for Federated Learning (FL), where both communication and computation budgets are often constrained. However, global prompt tuning struggles to generalize across heterogeneous clients, while personalized tuning overfits to local data and lacks generalization. We propose PEP-FedPT (Prompt Estimation from Prototypes for Federated Prompt Tuning), a unified framework designed to achieve both generalization and personalization in federated prompt tuning of ViTs. Within this framework, we introduce the novel Class-Contextualized Mixed Prompt (CCMP) - based on class-specific prompts maintained alongside a globally shared prompt. For each input, CCMP adaptively combines class-specific prompts using weights derived from global class prototypes and client class priors. This approach enables per-sample prompt personalization without storing client-dependent trainable parameters. The prompts are collaboratively optimized via traditional federated averaging technique on the same. Comprehensive evaluations on CIFAR-100, TinyImageNet, DomainNet, and iNaturalist datasets demonstrate that PEP-FedPT consistently surpasses the state-of-the-art baselines under diverse data heterogeneity scenarios, establishing a strong foundation for efficient and generalizable federated prompt tuning of Vision Transformers.
Authors: Samet Demir, Zafer Dogan
Abstract: Pretrained Transformers can perform in-context learning (ICL) from a few demonstrations, but this ability can fail sharply when the test distribution differs from pretraining, a common deployment setting. We study attention temperature as a simple inference-time control for improving ICL robustness under such shifts. In a high-dimensional linear-regression framework, we analyze a Transformer with "approximate softmax" attention, which preserves softmax's normalization and temperature-dependent selectivity while remaining tractable. We derive a closed-form expression for the ICL generalization error under distribution shift, and show that it is minimized by an explicit optimal attention temperature. This characterization yields interpretable guidance by linking the best temperature to moments of the pre-softmax attention scores, and predicts when temperature adjustment can recover near Bayes-optimal performance. We validate the theory with extensive simulations, and further demonstrate gains on pretrained LLMs (GPT-2 and Llama2-7B) on question-answering benchmarks under distribution shift induced by noisy in-context demonstrations. Overall, attention temperature emerges as a principled, lightweight knob for improving the robustness of ICL in pretrained Transformers.
Authors: Md. Abdul Awal, Mrigank Rochan, Chanchal K. Roy
Abstract: Transformer-based language models of code have achieved state-of-the-art performance across a wide range of software analytics tasks, but their practical deployment remains limited due to high computational costs, slow inference speeds, and significant environmental impact. To address these challenges, recent research has increasingly explored knowledge distillation as a method for compressing a large language model of code (the teacher) into a smaller model (the student) while maintaining performance. However, the degree to which a student model deeply mimics the predictive behavior and internal representations of its teacher remains largely unexplored, as current accuracy-based evaluation provides only a surface-level view of model quality and often fails to capture more profound discrepancies in behavioral fidelity between the teacher and student models. To address this gap, we empirically show that the student model often fails to deeply mimic the teacher model, resulting in up to 285% greater performance drop under adversarial attacks, which is not captured by traditional accuracy-based evaluation. Therefore, we propose MetaCompress, a metamorphic testing framework that systematically evaluates behavioral fidelity by comparing the outputs of teacher and student models under a set of behavior-preserving metamorphic relations. We evaluate MetaCompress on two widely studied tasks, using compressed versions of popular language models of code, obtained via three different knowledge distillation techniques: Compressor, AVATAR, and MORPH. The results show that MetaCompress identifies up to 62% behavioral discrepancies in student models, underscoring the need for behavioral fidelity evaluation within the knowledge distillation pipeline and establishing MetaCompress as a practical framework for testing compressed language models of code derived through knowledge distillation.
Authors: Katharina Beckh, Sven Heuser, Stefan R\"uping
Abstract: High-stakes decisions informed by decision support systems require explicit evidence. While prior work focuses on short sufficient evidence, regulatory compliance and medical billing call for complete evidence: all relevant input tokens that support a decision. We formulate complete evidence extraction as a task and study it in a medical coding setting. Motivated by the Rashomon effect, we aggregate token-level evidence from multiple language models to increase evidence completeness. We perform a case study using existing equally-performing models, feature attributions, and a dataset with human-annotated evidence. Our results show that Rashomon ensembles significantly increase evidence recall while incurring only a small token overhead over individual models. Ensembles of only three models already outperform the best single model and recover information that individual models miss.
Authors: Adam Tauman Kalai, Yael Tauman Kalai, Or Zamir
Abstract: Motivated by undetectable risks in generative AI, we study a general robust aggregation problem: how to aggregate several probability distributions to boost safety. We present consensus sampling, a black-box algorithm that, given k distributions, has risk competitive with the average risk of the safest $s$ while abstaining when there is insufficient agreement. This yields an architecture-agnostic approach to generative-model safety when the distributions are induced by models that can sample and evaluate output probabilities. We formalize the guarantee through R-robustness, which also bounds information leakage and adversarial influence. Inspired by robust statistics and the provable copyright protection algorithm of Vyas et al (2023), we show that while a standard mixture is vulnerable to one unsafe constituent, a pointwise-median construction provides robust intuition, and our efficient sampler is Pareto-optimal for the tradeoff between worst-case risk and abstention. Experiments on synthetic distributions and image generation illustrate the general mechanism and its motivating safety application. The method requires overlap among safe distributions, but it provides a model-agnostic way to inherit guarantees from an unknown reliable subset.
Authors: Yizhou Zhao, Xiang Li, Peter Song, Qi Long, Weijie Su
Abstract: The rise of generative AI has enabled the production of high-fidelity synthetic tabular data across fields such as healthcare, finance, and public policy, raising growing concerns about data provenance and misuse. Watermarking offers a promising solution to address these concerns by ensuring the traceability of synthetic data, but existing methods face many limitations: they are computationally expensive due to reliance on the inverse process of large diffusion models, struggle with mixed discrete-continuous data, or lack robustness to common post-processing attacks. To address these limitations, we propose TAB-DRW, an efficient and robust post-editing watermarking scheme for synthetic tabular data. TAB-DRW embeds watermark signals in the frequency domain: it normalizes heterogeneous features via the Yeo-Johnson transformation and standardization, applies the discrete Fourier transform (DFT), and adjusts the imaginary parts of adaptively selected entries according to precomputed pseudorandom bits. To further enhance robustness and efficiency, we introduce a novel rank-based pseudorandom bit generation method that enables row-wise retrieval without incurring storage overhead. Experiments on five benchmark tabular datasets show that TAB-DRW achieves strong detectability and robustness against post-processing and adaptive attacks, while preserving high data fidelity and fully supporting mixed-type features.
Authors: Yannick Brunink, Daniel Daza, Yunjie He, Michael Cochez
Abstract: Neural methods for Complex Query Answering (CQA) over knowledge graphs (KGs) are widely believed to learn patterns that generalize beyond explicit graph structure, allowing them to infer answers that are unreachable through symbolic query processing. In this work, we critically examine this assumption through a systematic analysis comparing neural CQA models with an alternative, training-free query relaxation strategy that retrieves possible answers by relaxing query constraints and counting resulting paths. Across multiple datasets and query structures, we find several cases where neural and relaxation-based approaches perform similarly, with no neural model consistently outperforming the latter. Moreover, a similarity analysis reveals that their retrieved answers exhibit little overlap, and that combining their outputs consistently improves performance. These results call for a re-evaluation of progress in neural query answering: despite their complexity, current models fail to subsume the reasoning patterns captured by query relaxation. Our findings highlight the importance of stronger non-neural baselines and suggest that future neural approaches could benefit from incorporating principles of query relaxation.
Authors: Helen Guo, Elizabeth L. Ogburn, Ilya Shpitser
Abstract: Identifying causal effects in the presence of unmeasured variables is a fundamental challenge in causal inference, for which proxy variable methods have emerged as a powerful solution. We contrast two major approaches in this framework: (1) bridge equation methods, which leverage solutions to integral equations to recover causal targets, and (2) array decomposition methods, which recover latent factors used to identify counterfactual quantities via eigendecomposition tasks. We compare the model restrictions underlying these two approaches and provide insight into implications of the underlying assumptions, clarifying the scope of applicability for each method.
Authors: Jack Cook, Junxian Guo, Guangxuan Xiao, Yujun Lin, Keith Wyss, Mahdi Nazemi, Asit Mishra, Carlo del Mundo, Tijmen Blankevoort, Song Han
Abstract: As large language models have grown larger, interest has grown in low-precision numerical formats such as NVFP4 as a way to improve speed and reduce memory usage. However, quantizing models to NVFP4 remains challenging as the lack of precision generally degrades model performance. In this work, we address this issue with Four Over Six (4/6), a modification to the block-scaled NVFP4 quantization algorithm that yields reduced quantization error. Unlike integer formats, floating point formats have non-uniform step sizes which create larger quantization error on larger values. 4/6 takes advantage of this by adaptively scaling some blocks to smaller FP4 values, making the distribution of representable values more uniform and reducing quantization error for near-maximal values. We show that 4/6 can be implemented efficiently on modern hardware accelerators, resulting in performance gains during both pre-training and inference with minimal computational overhead. In pre-training experiments with the Nemotron 3 Nano 30B-A3B model architecture, we find that 4/6 brings training loss closer to BF16 compared to models trained with current state-of-the-art NVFP4 training recipes. Our code is available at https://github.com/mit-han-lab/fouroversix.
Authors: Zhengyang Geng, Yiyang Lu, Zongze Wu, Eli Shechtman, J. Zico Kolter, Kaiming He
Abstract: MeanFlow (MF) has recently been established as a framework for one-step generative modeling. However, its ``fastforward'' nature introduces key challenges in both the training objective and the guidance mechanism. First, the original MF's training target depends not only on the underlying ground-truth fields but also on the network itself. To address this issue, we recast the objective as a loss on the instantaneous velocity $v$, re-parameterized by a network that predicts the average velocity $u$. Our reformulation yields a more standard regression problem and improves the training stability. Second, the original MF fixes the classifier-free guidance scale during training, which sacrifices flexibility. We tackle this issue by formulating guidance as explicit conditioning variables, thereby retaining flexibility at test time. The diverse conditions are processed through in-context conditioning, which reduces model size and benefits performance. Overall, our $\textbf{improved MeanFlow}$ ($\textbf{iMF}$) method, trained entirely from scratch, achieves $\textbf{1.72}$ FID with a single function evaluation (1-NFE) on ImageNet 256$\times$256. iMF substantially outperforms prior methods of this kind and closes the gap with multi-step methods while using no distillation. We hope our work will further advance fastforward generative modeling as a stand-alone paradigm.
Authors: Ece Yurtseven
Abstract: Quantum machine learning has emerged as a promising approach to improve feature extraction and classification tasks in high-dimensional data domains such as medical imaging. In this work, we present a hybrid Quantum-Classical Convolutional Neural Network (QCNN) architecture designed for the binary classification of the BreastMNIST dataset, a standardized benchmark for distinguishing between benign and malignant breast tumors. Our architecture integrates classical convolutional feature extraction with two distinct quantum circuits: an amplitude-encoding variational quantum circuit (VQC) and an angle-encoding VQC circuit with circular entanglement, both implemented on four qubits. These circuits generate quantum feature embeddings that are fused with classical features to form a joint feature space, which is subsequently processed by a fully connected classifier. To ensure fairness, the hybrid QCNN is parameter-matched against a baseline classical CNN, allowing us to isolate the contribution of quantum layers. Both models are trained under identical conditions using the Adam optimizer and binary cross-entropy loss. Experimental evaluation in five independent runs demonstrates that the hybrid QCNN achieves statistically significant improvements in classification accuracy compared to the classical CNN, as validated by a one-sided Wilcoxon signed rank test (p = 0.03125) and supported by large effect size of Cohen's d = 2.14. Our results indicate that hybrid QCNN architectures can leverage entanglement and quantum feature fusion to enhance medical image classification tasks. This work establishes a statistical validation framework for assessing hybrid quantum models in biomedical applications and highlights pathways for scaling to larger datasets and deployment on near-term quantum hardware.
Authors: Vahid Nateghi, Lara Neureither, Selma Moqvist, Carsten Hartmann, Simon Olsson, Feliks N\"uske
Abstract: Coarse graining (CG) is an important task for efficient modeling and simulation of complex multi-scale systems, such as the conformational dynamics of biomolecules. This work presents a projection-based coarse-graining formalism for general underdamped Langevin dynamics. Following the Zwanzig projection approach, we derive a closed-form expression for the coarse grained dynamics. In addition, we show how the generator Extended Dynamic Mode Decomposition (gEDMD) method, which was developed in the context of Koopman operator methods, can be used to model the CG dynamics and evaluate its kinetic properties, such as transition timescales. Finally, we combine our approach with thermodynamic interpolation (TI), a generative approach to transform samples between thermodynamic conditions, to extend the scope of the approach across thermodynamic states without repeated numerical simulations. Using a two-dimensional model system, we demonstrate that the proposed method allows to accurately capture the thermodynamic and kinetic properties of the full-space model.
Authors: Zefang Liu, Nam H. Nguyen, Yinzhu Quan, Shi-Xiong Zhang
Abstract: Representing continuous time is a critical and under-explored challenge in modeling temporal event sequences with large language models (LLMs). Various strategies like byte-level representations or calendar tokens have been proposed. However, the optimal approach remains unclear, especially given the diverse statistical distributions of real-world event data, which range from smooth log-normal to discrete, spiky patterns. This paper presents a systematic empirical study of temporal tokenization for modeling event sequences with LLMs, comparing distinct encoding strategies: naive numeric strings, high-precision byte-level representations, human-semantic calendar tokens, classic uniform binning, and adaptive residual scalar quantization. We evaluate these strategies by fine-tuning LLMs on real-world datasets that exemplify these diverse distributions. Our analysis reveals that no single strategy is universally superior; instead, prediction performance depends heavily on aligning the tokenizer with the data's statistical properties, highlighting temporal tokenization as a critical yet often overlooked design dimension in LLM-based event modeling.
Authors: Chao Gao, Liren Shan, Vaidehi Srinivas, Aravindan Vijayaraghavan
Abstract: We study the problem of finding confidence ellipsoids for an arbitrary distribution in high dimensions. Given samples from a distribution $D$ and a confidence parameter $\alpha$, the goal is to find the smallest volume ellipsoid $E$ which has probability mass $\mathbb{P}_{D}[E] \ge 1-\alpha$. Ellipsoids are a highly expressive class of confidence sets as they can capture correlations in the distribution, and can approximate any convex set. In statistics, this is the classic minimum volume estimator introduced by Rousseeuw as a robust non-parametric estimator of location and scatter. However in high dimensions, it becomes NP-hard to obtain any non-trivial approximation factor in volume when the condition number $\beta$ of the ellipsoid (ratio of the largest to the smallest axis length) goes to $\infty$. This motivates the focus of our paper: can we efficiently find confidence ellipsoids with volume approximation guarantees when compared to ellipsoids of bounded condition number $\beta$? Our main result is a polynomial time algorithm that finds an ellipsoid $E$ whose volume is within a $O(\beta)^{\gamma d}$ multiplicative factor of the volume of best $\beta$-conditioned ellipsoid while covering at least $1-O(\alpha/\gamma)$ probability mass for any $\gamma \in (0,1)$. In particular, setting $\gamma = o(1)$, this gives a $O(\beta)^{o(d)}$ volume approximation, with a multiplicative loss in miscoverage. We complement this with a computational hardness result that shows that such a dependence on $\beta$ seems necessary, even with some slack in coverage. The algorithm and analysis uses the rich primal-dual structure of the minimum volume enclosing ellipsoid and the geometric Brascamp-Lieb inequality. As a consequence, we obtain the first polynomial time algorithm with approximation guarantees on worst-case instances of the robust subspace recovery problem.
Authors: Ming Li, Chenrui Fan, Yize Cheng, Soheil Feizi, Tianyi Zhou
Abstract: Large language models increasingly expose reasoning traces, yet their underlying cognitive structure and steps remain difficult to identify and analyze beyond surface-level statistics. We adopt Schoenfeld's Episode Theory as an inductive, intermediate-scale lens and introduce ThinkARM (Anatomy of Reasoning in Models), a scalable framework that explicitly abstracts reasoning traces into functional reasoning steps such as Analysis, Explore, Implement, Verify, etc. When applied to mathematical problem solving by diverse models, this abstraction reveals reproducible thinking dynamics and structural differences between reasoning and non-reasoning models, which are not apparent from token-level views. We further present two diagnostic case studies showing that exploration functions as a critical branching step associated with correctness, and that efficiency-oriented methods selectively suppress evaluative feedback steps rather than uniformly shortening responses. Together, our results demonstrate that episode-level representations make reasoning steps explicit, enabling systematic analysis of how reasoning is structured, stabilized, and altered in modern language models.
Authors: Qiushuo Hou, Sangwoo Park, Matteo Zecchin, Yunlong Cai, Guanding Yu, Osvaldo Simeone, Tommaso Melodia
Abstract: Large language models (LLMs) are emerging as key enablers of automation in domains such as telecommunications, assisting with tasks including troubleshooting, standards interpretation, and network optimization. However, their deployment in practice must balance inference cost, latency, and reliability. In this work, we study an edge-cloud-expert cascaded LLM-based knowledge system that supports decision-making through a question-and-answer pipeline. In it, an efficient edge model handles routine queries, a more capable cloud model addresses complex cases, and human experts are involved only when necessary. We define a misalignment-cost constrained optimization problem, aiming to minimize average processing cost, while guaranteeing alignment of automated answers with expert judgments. We propose a statistically rigorous threshold selection method based on multiple hypothesis testing (MHT) for a query processing mechanism based on knowledge and confidence tests. The approach provides finite-sample guarantees on misalignment risk. Experiments on the TeleQnA dataset -- a telecom-specific benchmark -- demonstrate that the proposed method achieves superior cost-efficiency compared to conventional cascaded baselines, while ensuring reliability at prescribed confidence levels.
Authors: Ze Zheng, Yuegang Li, Hang Xu, Jingzheng Huang, Tailong Xiao, Guihua Zeng
Abstract: Spatial photonic Ising machines offer a novel optical platform for optimization and spin-model simulation, but existing diffraction-based schemes rely on auxiliary spins or multiplexing to encode high-rank couplings and external fields, reducing either speed or spin count. We demonstrate an amplitude-only, rank-free spatial photonic Ising machine in which arbitrary Ising Hamiltonians are encoded as Hadamard products on aligned amplitude and binary spatial modulators and read out by a single-pixel intensity measurement. The machine directly programs fully connected 797-spin Ising models with external fields at nearly 9-bit precision and operates at a constant iteration rate of ~200 Hz. By removing zero-valued product terms, the same architecture scales to sparse problems and experimentally solves a Max-Cut instance on a 424,108-vertex Mobius ladder graph. We also observe the phase transition of the Sherrington-Kirkpatrick model, demonstrating programmable optical simulation beyond low-rank couplings. These results establish amplitude modulation as a scalable route to programmable photonic Ising machines.
Authors: Mengqi He, Xinyu Tian, Xin Shen, Jinhong Ni, Shu Zou, Zhaoyuan Yang, Jing Zhang
Abstract: Vision-language models (VLMs) achieve remarkable performance but remain vulnerable to adversarial attacks. Entropy, as a measure of model uncertainty, is highly correlated with VLM reliability. While prior entropy-based attacks maximize uncertainty at all decoding steps, implicitly assuming that every token equally contributes to model instability, we reveal that a small fraction (around 20%) of high-entropy tokens, in the evaluated representative open-source VLMs with diverse architectures, concentrates a disproportionate share of adversarial influence during autoregressive generation. We demonstrate that concentrating adversarial perturbations on these high-entropy positions achieves comparable semantic degradation to global methods while optimizing fewer decoding positions. Additionally, across multiple representative VLMs, such attacks induce not only semantic drift but also a substantial unsafe subset (20-31%) under the current pipeline. Remarkably, since such vulnerable high-entropy tokens recur across architecturally diverse VLMs, attacks focused on them exhibit non-trivial transferability. Motivated by these findings, we design a simple Entropy-Guided Attack (EGA) that operationalizes sparse high-entropy targeting and extends it with a reusable token bank, yielding competitive attack success rates (93-95%) with a considerable harmful rate (30.2-38.6%) on the three representative open-source VLMs.
Authors: Hossein Hosseini Kasnavieh, Gholamreza Haffari, Chris Leckie, Adel N. Toosi
Abstract: A major challenge for the operation of large language models (LLMs) is how to predict whether a specific LLM will produce sufficiently high-quality output for a given query. Existing approaches rely on external classifiers, most commonly BERT based models, which suffer from limited context windows, constrained representational capacity, and additional computational overhead. We propose IntroLM, a method that enables causal language models to predict their own output quality during the prefilling phase without affecting generation using introspective tokens. By introducing token conditional LoRA that activates only for the introspective token, the model learns to predict the output quality for a given query while preserving the original backbone behavior and avoiding external evaluators. On question answering benchmarks, IntroLM applied to Qwen3 8B achieves a ROC AUC of 90 precent for success prediction, outperforming a DeBERTa classifier by 14 precent. When integrated into multi model routing systems, IntroLM achieves superior cost performance tradeoffs, reducing latency by up to 33 precent and large model usage by up to 50 precent at matched reliability.
Authors: Chun-Yi Kuan, Hung-yi Lee
Abstract: Recent advances in audio-aware large language models have shown strong performance on audio question answering. However, existing benchmarks mainly cover answerable questions and overlook the challenge of unanswerable ones, where no reliable answer can be inferred from the audio. Such cases are common in real-world settings, where questions may be misleading, ill-posed, or incompatible with the information. To address this gap, we present AQUA-Bench, a benchmark for Audio Question Unanswerability Assessment. It systematically evaluates three scenarios: Absent Answer Detection (the correct option is missing), Incompatible Answer Set Detection (choices are categorically mismatched with the question), and Incompatible Audio Question Detection (the question is irrelevant or lacks sufficient grounding in the audio). By assessing these cases, AQUA-Bench offers a rigorous measure of model reliability and promotes the development of audio-language systems that are more robust and trustworthy. Our experiments suggest that while models excel on standard answerable tasks, they often face notable challenges with unanswerable ones, pointing to a blind spot in current audio-language understanding.
Authors: Skyler Wu, Yash Nair, Emmanuel J. Cand\`es
Abstract: Exhaustively evaluating many large language models (LLMs) on a large suite of benchmarks is expensive. We cast benchmarking as finite-population inference and, under a fixed query budget, seek tight confidence intervals (CIs) for model accuracy with valid frequentist coverage. We propose Factorized Active Querying (FAQ), which (a) leverages historical information through a Bayesian factor model; (b) adaptively selects questions using a hybrid variance-reduction/active-learning sampling policy; and (c) maintains validity through Proactive Active Inference -- a finite-population extension of active inference (Zrnic & Cand\`es, 2024) that enables direct question selection while preserving coverage. With negligible overhead cost, FAQ delivers up to $5\times$ effective sample size gains over strong baselines on two benchmark suites, across varying historical-data missingness levels: this means that it matches the CI width of uniform sampling while using up to $5\times$ fewer queries. We release our source code and our curated datasets to support reproducible evaluation and future research.
Authors: Erica Zhang, Naomi Sagan, Danny Tse, Fangzhao Zhang, Mert Pilanci, Jose Blanchet
Abstract: Large language models (LLMs) encode rich semantic knowledge that can be useful for supervised learning, but their outputs are unreliable as statistical priors: they may be noisy, misspecified, or hallucinated. Existing LLM-informed learning methods either trust such signals directly, leaving predictions vulnerable to unreliable LLM guidance, or restrict semantic integration to a single model class. We introduce Statsformer, a validated framework for learning when to trust LLM-derived semantic priors in supervised statistical learning. Statsformer maps LLM-derived feature scores into a family of learner-specific prior-injection mechanisms across a heterogeneous library of linear and nonlinear predictors. It then uses out-of-fold validation to adaptively calibrate the influence of each prior-informed learner, allowing useful semantic information to improve prediction while attenuating weak, misspecified, or adversarial priors. This yields a guardrailed statistical learning system with an oracle-style guarantee: up to statistical error, the final predictor performs no worse than the best convex combination of its in-library candidates, including prior-free learners. Across diverse prediction tasks, informative LLM priors improve performance, while unreliable priors are automatically downweighted. These results position Statsformer as a reliability-oriented approach to LLM-informed statistical learning: rather than trusting LLM knowledge directly, it validates semantic priors against data before allowing them to influence the final predictor.
Authors: Lorenzo Mazza, Ariel Rodriguez, Rayan Younis, Martin Lelis, Ortrun Hellig, Chenpan Li, Sebastian Bodenstedt, Martin Wagner, Stefanie Speidel
Abstract: Imitation learning has achieved remarkable success in robotic manipulation, yet its application to surgical robotics remains challenging due to data scarcity, constrained workspaces, and the need for an exceptional level of safety and predictability. We present a supervised Mixture-of-Experts (MoE) architecture designed for phase-structured surgical manipulation tasks, which can be added on top of any autonomous policy. Unlike prior surgical robot learning approaches that rely on multi-camera setups or thousands of demonstrations, we show that a lightweight action decoder policy like Action Chunking Transformer (ACT) can learn complex, long-horizon manipulation from less than 150 demonstrations using solely stereo endoscopic images, when equipped with our architecture. We evaluate our approach on the collaborative surgical task of bowel grasping and retraction, where a robot assistant interprets visual cues from a human surgeon, executes targeted grasping on deformable tissue, and performs sustained retraction. Our results show that generalist Vision Language Action models fail to acquire the task entirely, even under standard in-distribution conditions. Furthermore, while standard ACT achieves moderate success in-distribution, adopting a supervised MoE architecture significantly boosts its performance, yielding higher success rates in-distribution and demonstrating superior robustness in out-of-distribution scenarios, including novel grasp locations, reduced illumination, and partial occlusions. Notably, it generalizes to unseen testing viewpoints and also transfers zero-shot to ex vivo porcine tissue without additional training, offering a promising pathway toward in vivo deployment. To support this statement, we present qualitative preliminary results of policy roll-outs during in vivo porcine surgery.
Authors: Palash Goyal, Mihir Parmar, Yiwen Song, Hamid Palangi, Tomas Pfister, Jinsung Yoon
Abstract: The exponential growth of machine learning submissions has strained the traditional peer review process, resulting in slow feedback loops for authors and an immense burden on reviewers to rigorously audit technical soundness and verify literature. To address this, we introduce ScholarPeer, a multi-agent framework designed to operationalize the rigorous auditing workflow of a senior researcher. Rather than attempting to replace human judgment, ScholarPeer serves as a co-scientist: acting as a mentor for rapid author iteration prior to submission, and as an active verification assistant that augments human reviewers. The framework structurally decouples contextualization from critique by deploying a sub-domain historian to synthesize the field's trajectory, a baseline scout to proactively hunt for omitted state-of-the-art comparisons, and a multi-aspect Q&A engine that deeply audits technical soundness-scrutinizing internal logical consistency, experimental validity, and mathematical rigor-while cross-referencing claims against top-tier academic venues. We comprehensively evaluate ScholarPeer on ~1,800 ICLR submissions spanning 2020 through 2025. Our results show that ScholarPeer achieves significant win-rates against state-of-the-art fine-tuned models and search-augmented agentic baselines.
Authors: Hun Chang, Byunghee Cha, Jong Chul Ye
Abstract: Recent studies have explored using pretrained Vision Foundation Models (VFMs) such as DINO for generative autoencoders, showing strong generative performance. Unfortunately, existing approaches often suffer from limited reconstruction fidelity due to the loss of high-frequency details. In this work, we present the \textbf{\em Hyperspherical Autoencoder (HAE)}, a framework that bridges semantic representation and pixel-level reconstruction. Our key insight is that while semantic information in contrastive representations is primarily directional, enforcing strict magnitude matching hinders the preservation of fine-grained details. To address this, we introduce a {\em Directional Feature Alignment} objective that enforces semantic consistency while allowing flexible feature magnitudes for detail retention, alongside a {\em Hierarchical Convolutional Patch Embedding} module to enhance local structure preservation. Furthermore, observing that SSL-based representations intrinsically lie on a hypersphere, we employ {\em Riemannian Flow Matching} to train a Diffusion Transformer (DiT) directly on this spherical latent manifold. Notably, our manifold-aware DiT exhibits highly efficient convergence, achieving an exceptional gFID of \textbf{1.96} alongside a reconstruction rFID of \textbf{0.78} and a PSNR of \textbf{25.2} dB, validating the advantages of our manifold-aware approach.
Authors: David Yallup, Namu Kroupa, Will Handley
Abstract: Model comparison and calibrated uncertainty quantification often require integrating over parameters, but scalable inference can be challenging for complex, multimodal targets. Nested Sampling is a robust alternative to standard MCMC, yet its typically sequential structure and hard constraints make efficient accelerator implementations difficult. This paper introduces Nested Slice Sampling (NSS), a GPU-friendly, vectorized formulation of Nested Sampling that uses Hit-and-Run Slice Sampling for constrained updates. A tuning analysis yields a simple near-optimal rule for setting the slice width, improving high-dimensional behavior and making per-step compute more predictable for parallel execution. Experiments on challenging synthetic targets, high dimensional Bayesian inference, and Gaussian process hyperparameter marginalization show that NSS maintains accurate evidence estimates and high-quality posterior samples, and is particularly robust on difficult multimodal problems where current state-of-the-art methods such as tempered SMC baselines can struggle. An open-source implementation is released to facilitate adoption and reproducibility.
Authors: Yifan Jiang, Cong Zhang, Bofei Zhang, Qiaofeng Zheng, Yifan Yang, Bingzhang Wang, Yew-Soon Ong
Abstract: Despite progress on general tasks, vision-language models (VLMs) still struggle with challenges that demand both fine-grained visual grounding and external knowledge, a synergy overlooked by existing benchmarks that evaluate these abilities in isolation. To fill this void, we introduce Pix2Fact, a visual question-answering benchmark designed to assess expert-level visual perception and knowledge search. Pix2Fact comprises 1,000 high-resolution (4K+) images spanning eight scenarios. Its questions and answers are meticulously crafted by PhD-holding annotators from top global universities across diverse disciplines. Each question requires detailed visual grounding and the integration of external knowledge. Evaluating ten state-of-the-art VLMs, including proprietary models such as Gemini-3.1-Pro and GPT-5.4, we find that Pix2Fact poses a formidable challenge: the most advanced model (Gemini-3.1-Pro) achieves only 51.7% average accuracy, even with access to visual ground truth and search tools. Our analysis attributes this low accuracy to three factors, frequent visual grounding errors even with visual ground truth, shallow search harnessing, and VLM's inability to retrieve long-tail, unstructured local information. This striking gap exposes the limitations of current models in assisting humans with real-world scenarios that demand overwhelming visual comprehension. We believe Pix2Fact will serve as a critical benchmark to drive the next generation of language-vision agents that seamlessly integrate fine-grained perception with robust knowledge search.
Authors: Wenhui Tan, Fiorenzo Parascandolo, Enver Sangineto, Jianzhong Ju, Zhenbo Luo, Qian Cao, Rita Cucchiara, Ruihua Song, Jian Luan
Abstract: Large Reasoning Models (LRMs) have recently achieved strong mathematical and code reasoning performance through Reinforcement Learning (RL) post-training. However, we show that modern reasoning post-training induces an unintended exploration collapse: temperature-based sampling no longer increases pass@$n$ accuracy. Empirically, the final-layer posterior of post-trained LRMs exhibit sharply reduced entropy, while the entropy of intermediate layers remains relatively high. Motivated by this entropy asymmetry, we propose Latent Exploration Decoding (LED), a depth-conditioned decoding strategy. LED aggregates intermediate posteriors via cumulative sum and selects depth configurations with maximal entropy as exploration candidates. Without additional training or parameters, LED consistently improves pass@1 and pass@16 accuracy by 0.61 and 1.03 percentage points across multiple reasoning benchmarks and models. Furthermore, integrating LED into reinforcement learning, e.g., using GRPO as the rollout strategy, yields faster reward improvement and higher final performance, due to the efficient exploration capability of LED. Project page: https://github.com/AlbertTan404/LED.
Authors: Shaoheng Xu, Chunyi Sun, Jihui Zhang, Prasanga N. Samarasinghe, Thushara D. Abhayapala
Abstract: Room impulse responses (RIRs) are essential for many acoustic signal processing tasks, yet measuring them densely across space is often impractical. In this work, we propose RIR-Former, a grid-free, one-step feed-forward model for RIR reconstruction. By introducing a sinusoidal encoding module into a transformer backbone, our method effectively incorporates microphone position information, enabling interpolation at arbitrary array locations. Furthermore, a segmented multi-branch decoder is designed to separately handle early reflections and late reverberation, improving reconstruction across the entire RIR. Experiments on diverse simulated acoustic environments demonstrate that RIR-Former consistently outperforms state-of-the-art baselines in terms of normalized mean square error (NMSE) and cosine distance (CD), under varying missing rates and array configurations. These results highlight the potential of our approach for practical deployment and motivate future work on scaling from randomly spaced linear arrays to complex array geometries, dynamic acoustic scenes, and real-world environments.
Authors: Xingyuan Hua, Sheng Yue, Xinyi Li, Yizhe Zhao, Jinrui Zhang, Ju Ren
Abstract: Multi-Agent Discussion (MAD) has garnered increasing attention very recently, where multiple LLM instances collaboratively solve problems via structured discussion. However, we find that current MAD methods easily suffer from discussion inconsistency, LLMs fail to reach a coherent solution, due to the misalignment between their individual contexts.In this paper, we introduce a multi-LLM context learning method (M2CL) that learns a context generator for each agent, capable of dynamically generating context instructions per discussion round via automatic information organization and refinement. Specifically, inspired by our theoretical insights on the context instruction, M2CL train the generators to control context coherence and output discrepancies via a carefully crafted self-adaptive mechanism.It enables LLMs to avoid premature convergence on majority noise and progressively reach the correct consensus. We evaluate M2CL on challenging tasks, including academic reasoning, embodied tasks, and mobile control. The results show that the performance of M2CL significantly surpasses existing methods by 20%--50%, while enjoying favorable transferability and computational efficiency.
Authors: Xinyu Liu, Zixuan Xie, Amir Moeini, Claire Chen, Shuze Daniel Liu, Yu Meng, Aidong Zhang, Shangtong Zhang
Abstract: While the ecosystem of Lean and Mathlib has enjoyed celebrated success in formal mathematical reasoning with the help of large language models (LLMs), the absence of many folklore lemmas in Mathlib remains a persistent barrier that limits Lean's usability as an everyday tool for mathematicians like \LaTeX{} or Maple. To address this, we introduce MathlibLemma, a modular LLM-based pipeline for automated folklore-lemma mining: the discovery, formalization, and proving of reusable intermediate facts that mathematicians often take for granted but that are not always present in formal libraries. At its core, MathlibLemma proactively mines the missing connective tissue of mathematics. The pipeline produces a verified library of folklore-style lemmas, including 1,506 Lean-checked proofs that pass a proof-bypass screen; a small curated pilot subset has also been merged into Mathlib, providing external evidence that selected outputs can meet expert library standards. Leveraging this pipeline, we further construct the MathlibLemma benchmark, a suite of 4,028 non-trivial type-checked Lean statements spanning a broad range of mathematical domains. By transforming the role of LLMs from passive consumers to active contributors, this work takes a step toward AI-assisted expansion of formal mathematical libraries.
Authors: Azmine Toushik Wasi, Wahid Faisal, Abdur Rahman, Mahfuz Ahmed Anik, Munem Shahriar, Mohsin Mahmud Topu, Sadia Tasnim Meem, Rahatun Nesa Priti, Sabrina Afroz Mitu, Md. Iqramul Hoque, Shahriyar Zaman Ridoy, Mohammed Eunus Ali, Majd Hawasly, Mohammad Raza, Md Rizwan Parvez
Abstract: Spatial reasoning is a fundamental aspect of human cognition, yet it remains a major challenge for contemporary vision-language models (VLMs). Prior work largely relied on synthetic or LLM-generated environments with limited task designs and puzzle-like setups, failing to capture the real-world complexity, visual noise, and diverse spatial relationships that VLMs encounter. To address this, we introduce SpatiaLab, a comprehensive benchmark for evaluating VLMs' spatial reasoning in realistic, unconstrained contexts. SpatiaLab comprises 1,400 visual question-answer pairs across six major categories: Relative Positioning, Depth & Occlusion, Orientation, Size & Scale, Spatial Navigation, and 3D Geometry, each with five subcategories, yielding 30 distinct task types. Each subcategory contains at least 25 questions, and each main category includes at least 200 questions, supporting both multiple-choice and open-ended evaluation. Experiments across diverse state-of-the-art VLMs, including open- and closed-source models, reasoning-focused, and specialized spatial reasoning models, reveal a substantial gap in spatial reasoning capabilities compared with humans. In the multiple-choice setup, InternVL3.5-72B achieves 54.93% accuracy versus 87.57% for humans. In the open-ended setting, all models show a performance drop of around 10-25%, with GPT-5-mini scoring highest at 40.93% versus 64.93% for humans. These results highlight key limitations in handling complex spatial relationships, depth perception, navigation, and 3D geometry. By providing a diverse, real-world evaluation framework, SpatiaLab exposes critical challenges and opportunities for advancing VLMs' spatial reasoning, offering a benchmark to guide future research toward robust, human-aligned spatial understanding. SpatiaLab is available at: https://spatialab-reasoning.github.io/.
Authors: Yansong Ning, Jun Fang, Naiqiang Tan, Hao Liu
Abstract: Managing agent context (e.g., thought and observation) during multi-turn agent-environment interactions is an emerging strategy to improve agent efficiency. However, existing studies treat the entire interaction trajectories equally, overlooking the thought necessity and observation utility varies across turns. To this end, we first conduct quantitative investigations into how thought and observation affect agent effectiveness and efficiency. Based on our findings, we propose Agent-Omit, a unified training framework that empowers LLM agents to adaptively omit redundant thoughts and observations. Specifically, we first synthesize a small amount of cold-start data, including both single-turn and multi-turn omission scenarios, to fine-tune the agent for omission behaviors. Furthermore, we introduce an omit-aware agentic reinforcement learning approach, incorporating a dual sampling mechanism and a tailored omission reward to incentivize the agent's adaptive omission capability. Theoretically, we prove that the deviation of our omission policy is upper-bounded by KL-divergence. Experimental results on five agent benchmarks show that our constructed Agent-Omit-8B could obtain performance comparable to seven frontier LLM agent, and achieve the best effectiveness-efficiency trade-off than seven efficient LLM agents methods. Our code and data are available at https://github.com/usail-hkust/Agent-Omit.
Authors: Yuxin Wang, Dennis Frauen, Emil Javurek, Konstantin Hess, Yuchen Ma, Stefan Feuerriegel
Abstract: The synthetic control method (SCM) estimates causal effects in panel data with a single-treated unit by constructing a counterfactual outcome as a weighted combination of untreated control units that matches the pre-treatment trajectory. In this paper, we introduce the targeted synthetic control (TSC) method, a new two-stage estimator that directly estimates the counterfactual outcome. Specifically, our TSC method (1) yields a targeted debiasing estimator, in the sense that the targeted updating refines the initial weights to produce more stable weights; and (2) ensures that the final counterfactual estimation is a convex combination of observed control outcomes to enable direct interpretation of the synthetic control weights. TSC is flexible and can be instantiated with arbitrary machine learning models. Methodologically, TSC starts from an initial set of synthetic-control weights via a one-dimensional targeted update through the weight-tilting submodel, which calibrates the weights to reduce bias of weights estimation arising from pre-treatment fit. Furthermore, TSC avoids key shortcomings of existing methods (e.g., the augmented SCM), which can produce unbounded counterfactual estimates. Across extensive synthetic and real-world experiments, TSC consistently improves estimation accuracy over state-of-the-art SCM baselines.
Authors: Jiarui Yuan, Tailin Jin, Weize Chen, Zeyuan Liu
Abstract: True self-evolution requires agents to act as lifelong learners that internalize novel experiences to solve future problems. However, rigorously measuring this foundational capability is hindered by two obstacles: the entanglement of prior knowledge, where ``new'' knowledge may appear in pre-training data, and the entanglement of reasoning complexity, where failures may stem from problem difficulty rather than an inability to recall learned knowledge. We introduce SE-Bench, a diagnostic environment that obfuscates the NumPy library and its API doc into a pseudo-novel package with randomized identifiers. Agents are trained to internalize this package and evaluated on simple coding tasks without access to documentation, yielding a clean setting where tasks are trivial with the new API doc but impossible for base models without it. Our investigation reveals three insights: (1) the Open-Book Paradox, where training with reference documentation inhibits retention, requiring "Closed-Book Training" to force knowledge compression into weights; (2) the RL Gap, where standard RL fails to internalize new knowledge completely due to PPO clipping and negative gradients; and (3) the viability of Self-Play for internalization, proving models can learn from self-generated, noisy tasks when coupled with SFT, but not RL. Overall, SE-Bench establishes a rigorous diagnostic platform for self-evolution with knowledge internalization. Our code and dataset can be found at https://github.com/thunlp/SE-Bench.
Authors: Yanxiao Liu, Yijun Fan, Deniz G\"und\"uz
Abstract: Change of measure inequalities translate divergences between probability measures into explicit bounds on event probabilities, and play an important role in deriving probabilistic guarantees in learning theory, information theory, and statistics. We propose novel change of measure inequalities via a unified framework based on the data processing inequality, which is surprisingly elementary yet powerful enough to yield novel, tighter inequalities. We provide change of measure inequalities in terms of a broad family of information measures, including $f$-divergences (with Kullback-Leibler divergence and $\chi^2$-divergence as special cases), R\'enyi divergence, and $\alpha$-mutual information (with maximal leakage as a special case). We apply these results to generalization error analysis, PAC-Bayesian theory, differential privacy, and data memorization, obtaining stronger guarantees while recovering best-known results through simplified analyses.
Authors: Borjan Geshkovski, Dom\`enec Ruiz-Balet
Abstract: Motivated by applications in conditional sampling, given a probability measure $\mu$ and a diffeomorphism $\phi$, we consider the problem of simultaneously approximating $\phi$ and the pushforward $\phi_{\#}\mu$ by means of the flow of a continuity equation whose velocity field is a perceptron neural network with piecewise constant weights. We provide an explicit construction based on a polar-like decomposition of the Lagrange interpolant of $\phi$. The latter involves a compressible component, given by the gradient of a particular convex function, which can be realized exactly, and an incompressible component, which -- after approximating via permutations -- can be implemented through shear flows intrinsic to the continuity equation. For more regular maps $\phi$ -- such as the Kn\"othe-Rosenblatt rearrangement -- we provide an alternative, probabilistic construction inspired by the Maurey empirical method, in which the number of discontinuities in the weights doesn't scale inversely with the ambient dimension.
Authors: Jialin Wu, Wei Shi, Han Shen, Peigui Qi, Kunsheng Tang, Zhicong Huang, Binghao Wang, Zhou Yang
Abstract: Despite the advanced capabilities of Large Vision-Language Models (LVLMs), they frequently suffer from object hallucination. One reason is that visual features and pretrained textual representations often become intertwined in the deeper network layers. To address this, we propose REVIS, a training-free framework designed to explicitly re-activate this suppressed visual information. Rooted in latent space geometry, REVIS extracts the pure visual information vector via orthogonal projection and employs a calibrated strategy to perform sparse intervention only at the precise depth where suppression occurs. This surgical approach effectively restores visual information with minimal computational cost. Empirical evaluations on standard benchmarks demonstrate that REVIS reduces object hallucination rates by approximately 19% compared to state-of-the-art baselines, while preserving general reasoning capabilities.
Authors: Jyotin Goel, Souvik Maji, Pratik Mazumder
Abstract: Instruction-following language models are trained to be helpful and safe, yet their safety behavior can deteriorate under benign fine-tuning and worsen under adversarial updates. Existing defenses often offer limited protection or force a trade-off between safety and utility. We introduce a training framework that adapts regularization in response to safety risk, enabling models to remain aligned throughout fine-tuning. To estimate safety risk at training time, we explore two distinct approaches: a judge-based Safety Critic that assigns high-level harm scores to training batches, and an activation-based risk predictor built with a lightweight classifier trained on intermediate model activations to estimate harmful intent. Each approach provides a risk signal that is used to constrain updates deemed higher risk to remain close to a safe reference policy, while lower-risk updates proceed with standard training. We empirically verify that harmful intent signals are predictable from pre-generation activations and that judge scores provide effective high-recall safety guidance. Across multiple model families and attack scenarios, adaptive regularization with either risk estimation approach consistently lowers attack success rate compared to standard fine-tuning, preserves downstream performance, and adds no inference-time cost. This work demonstrates a principled mechanism for maintaining safety without sacrificing utility.
Authors: Varun Ursekar, Apaar Shanker, Veronica Chatrath, Yuan Xue, Sam Denton
Abstract: An important emerging application of coding agents is agent optimization: the iterative improvement of a target agent through edit-execute-evaluate cycles. Despite its relevance, the community lacks a systematic understanding of coding agent performance on this task. Agent optimization differs fundamentally from conventional software engineering: the target agent interleaves deterministic code with stochastic LLM completions, requiring structured capture of both intermediate reasoning and downstream execution outcomes. To address these challenges, we introduce VERO (Versioning, Rewards, and Observations), which provides (1) a reproducible evaluation harness with versioned agent snapshots, budget-controlled evaluation, and structured execution traces, and (2) a benchmark suite of target agents and tasks with reference evaluation procedures. Using VERO, we conduct an empirical study comparing optimizer configurations across tasks and analyzing which modifications reliably improve target agent performance. We release VERO to support research on agent optimization as a core capability for coding agents.
Authors: Rick S. H. Willemsen, Tenindra Abeywickrama, Ramu Anandakrishnan
Abstract: Cancer is often driven by specific combinations of an estimated two to nine gene mutations, known as multi-hit combinations. Identifying these multi-hit combinations of gene mutations that drive cancer is critical for understanding carcinogenesis and designing targeted therapies. We formalize this challenge as the Multi-Hit Cancer Driver Set Cover Problem (MHCDSCP), optimizing the selection of gene combinations to maximize tumor coverage while strictly minimizing normal sample misclassification. While existing approaches rely on exhaustive enumeration and massive parallelization, we introduce fast heuristics based on constraint programming and mixed integer programming formulations. Evaluated on real-world cancer genomics data, our framework matches state-of-the-art supercomputing methods using a single commodity CPU in under a minute. We also propose a price-and-branch heuristic which, by solving the root node to optimality, provides the first provably optimal solutions for over half of the benchmark instances, thereby verifying the near-optimality of our fast heuristics. These findings demonstrate that on real-world problem instances, the MHCDSCP is far less computationally demanding than previously believed, providing an accessible baseline that enables the exploration of previously intractable multi-hit modeling assumptions.
Authors: Emile Anand, Ishani Karmarkar
Abstract: Many large-scale platforms and networked control systems have a centralized decision maker interacting with a massive population of agents under strict observability constraints. Motivated by such applications, we study a cooperative Markov game with a global agent and $n$ homogeneous local agents in a communication-constrained regime, where the global agent only observes a subset of $k$ local agent states per time step. We propose an alternating learning framework $(\texttt{ALTERNATING-MARL})$, where the global agent performs subsampled mean-field $Q$-learning against a fixed local policy, and local agents update by optimizing in an induced MDP. We prove that these approximate best-response dynamics converge to an $\widetilde{O}(1/\sqrt{k})$-approximate Nash Equilibrium, while separating the sample complexities between the joint state and action spaces. Finally, we validate our results in numerical simulations for multi-robot control.
Authors: Michael J\"ulich
Abstract: Generative AI can convert uncertainty into hypersuasive, authoritative-seeming verdicts, displacing the justificatory work on which democratic epistemic agency depends. As a corrective, I propose a Brouwer-inspired assertibility constraint for responsible AI: in high-stakes domains, systems may assert or deny claims only if they can provide a publicly inspectable and contestable certificate of entitlement; otherwise they must return Undetermined. This constraint yields a three-status interface semantics (Asserted, Denied, Undetermined) in which statuses mark entitlement to categorical speech rather than truth values of the underlying world-claim. The semantics cleanly separates internal entitlement from public standing while connecting them via the certificate as a boundary object. It also produces a time-indexed entitlement profile that is stable under numerical refinement yet revisable as the public record changes. I operationalize the constraint through decision-layer gating of threshold and argmax outputs, using internal witnesses (e.g., sound bounds or separation margins) and an output contract with reason-coded abstentions. A design lemma shows that any total, certificate-sound binary interface already decides the deployed predicate on its declared scope, so Undetermined is not a tunable reject option but a mandatory status whenever no adequate forcing witness is available. By making outputs answerable to challengeable warrants rather than confidence alone, the paper aims to preserve epistemic agency against the hypersuasive pull of automated speech in public justification.
Authors: Baoqing Yue, Zihan Zhu, Yutong Han, Qian Sun, Jichen Feng, Hufei Yang, Yifan Zhang, Mengdi Wang
Abstract: Existing reasoning evaluation paradigms suffer from different limitations: fixed benchmarks are increasingly saturated and vulnerable to contamination, while preference-based evaluations rely on subjective judgments. We argue that a core aspect of intelligence is the ability to decide what information to acquire and how to use it effectively. We propose Interactive Benchmarks, a unified evaluation paradigm that assesses a model's reasoning ability through budgeted multi-turn interaction. We evaluate models under this framework in two settings: Interactive Proofs, where models interact with a judge to solve Logic, UI2Html, and Mathematics tasks under objective feedback; and Interactive Games, where models reason strategically to maximize long-horizon utilities. Our results show that interactive benchmarks provide a more robust assessment of this dimension of model intelligence, revealing substantial room for improvement in interactive scenarios. Project page: https://github.com/interactivebench/interactivebench
Authors: Sizhe Huang, Zitong Li, Shujie Yang
Abstract: Self-supervised masked modeling shows promise for encrypted traffic classification by masking and reconstructing raw bytes. Yet recent work reveals these methods fail to reduce reliance on labeled data despite costly pretraining: under frozen encoder evaluation, accuracy drops from greater than 0.9 to less than 0.47. We argue the root cause is inductive bias mismatch: flattening traffic into byte sequences destroys protocol-defined semantics. We identify three specific issues: 1) field unpredictability, random fields like ip.id are unlearnable yet treated as reconstruction targets; 2) embedding confusion, semantically distinct fields collapse into a unified embedding space; 3) metadata loss, capture-time metadata essential for temporal analysis is discarded. To address this, we propose a protocol-native paradigm that treats protocol-defined field semantics as architectural priors, reformulating the task to align with the data's intrinsic tabular modality rather than incrementally adapting sequence-based architectures. Instantiating this paradigm, we introduce FlowSem-MAE, a tabular masked autoencoder built on Flow Semantic Units (FSUs). It features predictability-guided filtering that focuses on learnable FSUs, FSU-specific embeddings to preserve field boundaries, and dual-axis attention to capture intra-packet and temporal patterns. FlowSem-MAE significantly outperforms state-of-the-art across datasets. With only half labeled data, it outperforms most existing methods trained on full data.
Authors: Yinjie Wang, Xuyang Chen, Xiaolong Jin, Mengdi Wang, Ling Yang
Abstract: Every agent interaction generates a next-state signal, namely the user reply, tool output, terminal or GUI state change that follows each action, yet no existing agentic RL system recovers it as a live, online learning source. We present OpenClaw-RL, a framework that employs next-state signals to optimize personal agents online through infrastructure and methodology innovations. On the infrastructure side, we extend existing RL systems to a server-client architecture where the RL server hosts the policy behind an inference API and user terminals stream interaction data back over HTTP. From each observed next state, the system extracts two complementary training signals, evaluative and directive, via a separate asynchronous server so that neither signal extraction nor optimization blocks inference. On the methodology side, we introduce a hybrid RL objective that unifies both signal types in a single update: directive signals provide richer, token-level supervision but are sparser, while evaluative signals are more broadly available. To stabilize distillation under teacher-student mismatch, we propose overlap-guided hint selection, which picks the hint whose induced teacher distribution maximally overlaps with the student's top-$k$ tokens, together with a log-probability-difference clip that bounds per-token advantages. Applied to personal agents, OpenClaw-RL enables an agent to improve simply by being used, recovering conversational signals from user re-queries, corrections, and explicit feedback. Applied to general agents, OpenClaw-RL is the first RL framework to unify real-world agent settings spanning terminal, GUI, SWE, and tool-call environments, where we additionally demonstrate the utility of next-state signals in long-horizon settings.
Authors: Gideon Popoola, John Sheppard
Abstract: Fairness in machine learning is predominantly evaluated through outcome-oriented metrics, such as Demographic parity, which measure whether predictions are statistically consistent across protected groups. However, these metrics cannot detect whether a model uses systematically different reasoning for different demographic groups, which violates procedural fairness principles. This problem is compounded by intersectionality, where models may appear fair on individual attributes (e.g., race) while exhibiting significant disparities for intersectional subgroups (e.g., race $\times$ gender), a phenomenon known as fairness gerrymandering. In this work, we introduce Multi-category Explanation Stability Disparity (MESD), a procedural fairness metric that quantifies disparities in explanation quality across intersectional subgroups formed by the Cartesian product of multiple protected attributes. MESD integrates three components, which are label-aware aggregation aligned with outcome-conditional fairness, empirical-Bayes shrinkage to stabilize estimates for small intersectional groups, and Conditional Value-at-Risk (CVaR) weighting to emphasize worst-case subgroup disparities. We integrate MESD within a multi-objective optimization framework (UEF) that jointly optimizes utility, outcome fairness, and procedural fairness using NSGA-II. We evaluated MESD and UEF on three benchmark datasets along with four state-of-the-art methods in several experiments, and we demonstrate that MESD reveals procedural disparities invisible to outcome metrics alone. We position our contribution within procedural justice theory and discuss implications for regulatory compliance and intersectional equity.
Authors: Asmae Mouradi, Shruti Kshirsagar
Abstract: Rapid structural damage assessment from remote sensing imagery is essential for timely disaster response. Within human-machine systems (HMS) for disaster management, automated damage detection provides decision-makers with actionable situational awareness. However, models trained on multi-disaster benchmarks often underperform in unseen geographic regions due to domain shift - a distributional mismatch between training and deployment data that undermines human trust in automated assessments. We explore a two-stage ensemble approach using supervised domain adaptation (SDA) for building damage classification across four severity classes. The pipeline adapts the xView2 first-place method to the Ida-BD dataset using SDA and systematically investigates the effect of individual augmentation components on classification performance. Comprehensive ablation experiments on the unseen Ida-BD test split demonstrate that SDA is indispensable: removing it causes damage detection to fail entirely. Our pipeline achieves the most robust performance using SDA with unsharp-enhanced RGB input, attaining a Macro-F1 of 0.5552. These results underscore the critical role of domain adaptation in building trustworthy automated damage assessment modules for HMS-integrated disaster response.
Authors: Jingyu Lu, Yuhan Wang, Fan Zhuo, Xize Cheng, Changhao Pan, Xueyi Pu, Yifu Chen, Chenyuhao Wen, Tianle Liang, Zhou Zhao
Abstract: The rapid evolution of end-to-end spoken dialogue systems demands transcending mere textual semantics to incorporate paralinguistic nuances and the spontaneous nature of human conversation. However, current methods struggle with two critical gaps: the modality gap, involving prosody and emotion, and the colloquialness gap, distinguishing written scripts from natural speech. To address these challenges, we introduce SDiaReward, an end-to-end multi-turn reward model trained on SDiaReward-Dataset, a novel collection of episode-level preference pairs explicitly targeting these gaps. It operates directly on full multi-turn speech episodes and is optimized with pairwise preference supervision, enabling joint assessment of modality and colloquialness in a single evaluator. We further establish ESDR-Bench, a stratified benchmark for robust episode-level evaluation. Experiments demonstrate that SDiaReward achieves state-of-the-art pairwise preference accuracy, significantly outperforming general-purpose audio LLMs. Further analysis suggests that SDiaReward captures relative conversational expressiveness beyond superficial synthesis cues, improving generalization across domains and recording conditions. Code, data, and demos are available at https://github.com/MM-Speech/SDiaReward/.
Authors: Niklas Ro{\ss}berg, Sinan Hasirlioglu, Mohamed Essayed Bouzouraa, Wolfgang Utschick, Michael Botsch
Abstract: Approval of ADS depends on evaluating its behavior within representative real-world traffic scenarios. A common way to obtain such scenarios is to extract them from real-world data recordings. These can then be grouped and serve as basis on which the ADS is subsequently tested. This poses two central challenges: how scenarios are extracted and how they are grouped. Existing extraction methods rely on heterogeneous definitions, hindering scenario comparability. For the grouping of scenarios, rule-based or ML-based methods can be utilized. However, while modern ML-based approaches can handle the complexity of traffic scenarios, unlike rule-based approaches, they lack interpretability and may not align with domain-knowledge. This work contributes to a standardized scenario extraction based on the Scenario-as-Specification concept, as well as a domain-knowledge-guided scenario clustering process. Experiments on the highD dataset demonstrate that scenarios can be extracted reliably and that domain-knowledge can be effectively integrated into the clustering process. As a result, the proposed methodology supports a more standardized process for deriving scenario categories from highway data recordings and thus enables a more efficient validation process of automated vehicles.
Authors: Carlos Esteves, Ameesh Makadia
Abstract: Denoising diffusion models are widely used for high-quality image and video generation. Their performance depends on noise schedules, which define the distribution of noise levels applied during training and the sequence of noise levels traversed during sampling. Noise schedules are typically handcrafted and require manual tuning across different resolutions. In this work, we propose a principled way to design per-instance noise schedules for pixel diffusion, based on the image's spectral properties. By deriving theoretical bounds on the efficacy of minimum and maximum noise levels, we design ``tight'' noise schedules that eliminate redundant steps. During inference, we propose to conditionally sample such noise schedules. Experiments show that our noise schedules improve generative quality of single-stage pixel diffusion models, particularly in the low-step regime.
Authors: Aaron Rose, Carissa Cullen, Sahar Abdelnabi, Philip Torr, Brandon Gary Kaplowitz, Christian Schroeder de Witt
Abstract: As LLM agents are increasingly deployed in multi-agent systems, they introduce risks of covert coordination that may evade standard forms of human oversight. While linear probes on model activations have shown promise for detecting deception in single-agent settings, collusion is inherently a multi-agent phenomenon, and the use of internal representations for detecting collusion between agents remains unexplored. We introduce NARCBench, a benchmark for evaluating collusion detection under environment distribution shift, and propose five probing techniques that aggregate per-agent deception scores to classify scenarios at the group level, evaluated across four open-weight models (Qwen3-32B, Llama-3.1-70B, DeepSeek-R1 32B, GPT-OSS-20B) and six probe architectures. We frame this as a distributed anomaly detection problem, identifying three collusion signatures that map onto distinct anomaly types and detection paradigms. Every model reaches 1.00 AUROC in-distribution; on our strongest model (Llama-3.1-70B), our five probing techniques achieve 0.73 to 0.93 AUROC when transferred zero-shot to structurally different multi-agent scenarios and 0.99 to 1.00 on a steganographic blackjack card-counting task, with detection performance scaling with model capability. We find that no single probing technique dominates across all collusion types, consistent with the framework's prediction that different anomaly types require different detection paradigms. This work takes a step toward multi-agent interpretability: extending white-box inspection from single models to multi-agent contexts, where detection requires aggregating signals across agents. These results suggest that model internals provide a complementary signal to text-level monitoring for detecting multi-agent collusion. Code and data available at https://github.com/aaronrose227/narcbench.
Authors: Smriti Jha, Matteo Paltenghi, Chandra Maddila, Vijayaraghavan Murali, Shubham Ugare, Satish Chandra
Abstract: Production deployment of AI coding agents requires fast, reproducible evaluation signals. Existing industrial practices trade off speed and fidelity: online A/B testing takes weeks and risks user experience, shadow deployment yields signals that are not reproducible across runs, and public benchmarks diverge from production workloads in language distribution, prompt style, and codebase structure. This paper presents REAP (Relevance and Execution-Audited Pipeline), an automated curation pipeline that constructs production-derived benchmarks from real developer-agent sessions without manual labeling. Such curation, while in-distribution to production usage, runs into several challenges. Untestable prompts, misaligned tests, and test flakiness all compromise evaluation reliability. While tasks can be manually audited to ensure only high-quality tasks remain in the benchmark, this approach is infeasible in the monorepo setting: the build infrastructure state is often ephemeral in large monorepos and requires the benchmark to be continuously re-curated against the current codebase. As manual verification cannot be sustained at this cadence, REAP adds an automated verification layer using LLM-based task classification, agentic test-relevance validation, and multi-run stability checks to ensure the executable benchmark yields trustworthy signals. We use REAP to curate Harvest, a benchmark where each task feeds the coding agent a real developer prompt and verifies the resulting code change against fail-to-pass tests retrieved from production. Harvest's distribution spans more than four programming languages with a majority of tasks drawn from Hack. Model and harness evaluations reveal that solve rates range from 42.9% to 58.2% across five frontier models, surfacing capability differences that inform concrete deployment decisions.
Authors: Geordie Williamson, Oded Yacobi, Paul Zinn-Justin
Abstract: We present a new method for constructing Hadamard matrices that combines transformer neural networks with local search in the PatternBoost framework. Our approach is designed for extremely sparse combinatorial search problems and is particularly effective for Hadamard matrices of Goethals--Seidel type, where Fourier methods permit fast scoring and optimisation. For orders between 100 and 200, it produces large numbers of inequivalent Hadamard matrices, and for larger orders, it succeeds where local search from random initialisation fails. The largest example found by our method has order 252. In addition to these new constructions, our experiments reveal that the transformer can discover and exploit useful hidden symmetry in the search space.
Authors: Dip Roy, Rajiv Misra, Sanjay Kumar Singh, Anisha Roy
Abstract: Activation-based linear probing is widely proposed as a method for both detecting and correcting hallucinations in autoregressive language models. We present an empirical study across seven models spanning 117M to 7B parameters and three architecture families (GPT-2, Pythia, Qwen-2.5) that documents a robust asymmetry: linear probes can detect hallucination signals with above-chance accuracy in larger models, but activation steering along the probe-derived direction fails to correct hallucinations in 7 of 7 models tested. We further find that output-confidence baselines outperform activation probes on raw detection AUC at every model above 410M parameters, with the gap reaching 0.157 AUC for Pythia-6.9B. The probe's distinguishing value is therefore not detection accuracy but temporal positioning: probe signals are accessible at position zero (before any output tokens are produced), enabling pre-generation flagging that output-based methods structurally cannot provide. The temporal signal is statistically significant in two of seven models (Pythia-1.4B, p = 0.012; Qwen2.5-7B, p = 0.038) and absent in models below 400M parameters and in the base-only Pythia-6.9B. We position these findings as a clean negative result for the dominant probing-as-detection-and-control research direction and as initial evidence that probe-based methods occupy a complementary deployment niche, namely pre-generation flagging, rather than competing with output-based detectors on raw accuracy.
Authors: David Y. Y. Tan, Kellie Chin, Jingxian Zhang
Abstract: We present AgentGA, a framework that evolves autonomous code-generation runs by optimizing the agent seed: the task prompt plus optional parent archives that initialize a fresh workspace. The outer loop searches over these reusable starting conditions rather than editing code directly. Each generation launches a fresh autonomous run in an isolated workspace, while selected parent archives provide inherited artifacts that descendants can inspect and reuse. AgentGA couples a population-level genetic algorithm with long-horizon agents; selection uses deterministic 1:1 elite tournaments and operator allocation is adapted online with a modified Hedge controller. We instantiate the approach for tabular AutoML on the 16-competition Weco-Kaggle Lite benchmark. Across the full benchmark, AgentGA averages 71.90% Exceeds % of Human versus 51.38% for the AIDE reference, winning 15/16 competitions. Within AgentGA runs, descendants conditioned on inherited parent archives win 51.9% of 1,680 parent-child tournaments versus 8.6% for de novo proposals. These results support agent-seed optimization as a practical design choice for autonomous code-search systems.
Authors: Jian Ni, Lecheng Zheng, John R Birge
Abstract: Competing firms that share a population of risky customers face a decentralized risk detection problem in which each firm holds fragmentary information whose aggregation would generate social value, but private incentives impede truthful sharing. We develop a dynamic mechanism design framework for this setting and identify three strategic frictions that distinguish it from classical mechanism design with decentralized information: compliance moral hazard, adversarial adaptation, and information destruction through intervention. A temporal value assignment (TVA) mechanism credits firms using a strictly proper scoring rule applied to discounted verified outcomes; under stated assumptions, TVA implements truthful posterior reporting as a Bayes--Nash equilibrium (uniquely optimal at each edge in large federations, with $O(1/m)$ shading in finite systems). A network Shapley characterization shows that under edge-additive coalition value, each firm's marginal contribution is proportional to its weighted cross-firm interaction degree, yielding a sharp prescription for coalition design that prioritizes inter-firm volume over firm size. Embedding TVA in a model of competition among firms, we establish a welfare ordering across four regulatory regimes (autarky, voluntary federation, mandated full sharing, TVA) and identify conditions under which information-sharing mandates without compatible incentive design reduce welfare below autarky: a ``backfiring mandate.'' We illustrate the framework on a 1.4M-transaction synthetic anti-money-laundering benchmark; the same machinery extends to platform fraud, cybersecurity threat intelligence, and supply chain risk detection.
Authors: Nikoo Moradi, Gijs Luijten, Behrus Hinrichs-Puladi, Jens Kleesiek, Victor Alves, Jan Egger, Andr\'e Ferreira
Abstract: Diffusion models produce high-quality synthetic data but suffer from slow inference. We propose 3D Variable-Step Denoising Diffusion Probabilistic Model (VS-DDPM) a framework engineered to maintain generative quality while accelerating inference by several factors. We tested our approach on four tasks (missing MRI, tumor removal, MRI-to-sCT, and CBCT-to-sCT) within the BraTS2025 and SynthRAD2025 challenges. Designed for high efficiency under hardware and time constrains imposed by both challenges. VS-DDPM achieved state-of-the-art (SOTA) performance in missing MRI synthesis, yielding Dice scores of 0.80, 0.83, and 0.88 for the enhancing tumor, tumor core, and whole tumor regions, respectively, alongside a structural similarity index (SSIM) of 0.95. For MRI tumor removal, the model attained a root mean squared error (RMSE) of 0.053, a peak signal-to-noise ratio (PSNR) of 26.77, and an SSIM of 0.918. While the framework demonstrated competitive performance in MRI-to-sCT and CBCT-to-sCT tasks, it did not reach SOTA benchmarks, potentially due to sensitivities in data pre and post-processing pipelines or specific loss function configurations. These results demonstrate that VS-DDPM provides a robust and tunable solution for high-fidelity 3D medical image synthesis. The code is available in https://github.com/andre-fs-ferreira/SynthRAD_by_Faking_it.
URLs: https://github.com/andre-fs-ferreira/SynthRAD_by_Faking_it.
Authors: Akira Tamamori
Abstract: High-capacity associative memories based on Kernel Logistic Regression (KLR) exhibit strong storage capabilities, but the dynamical and geometric mechanisms underlying their stability remain poorly understood. This paper investigates the global geometry of attractor basins and the mechanisms governing the storage limit in KLR-trained Hopfield networks. We combine empirical evaluations using random sequences and real-world image embeddings (CIFAR-10) with morphing experiments and statistical Signal-to-Noise Ratio (SNR) analysis. Our experiments show that the network achieves a storage capacity for random sequences up to $P/N \approx 16$, while maintaining stable retrieval for structured data at effective loads near $P/N \approx 20$. Morphing analysis indicates that attractors on the "Ridge of Optimization" are separated by sharp, phase-transition-like boundaries, characterized by steep effective potential barriers and critical slowing down. Furthermore, by comparing an SNR analysis with a geometric reference point inspired by Cover's theorem, we show that the practical storage limit is governed primarily not by a lack of geometric separability in the feature space, but by the loss of dynamical stability against crosstalk noise. These findings suggest that KLR networks function as highly localized exemplar-based memories that operate near the onset of dynamical collapse, providing a useful perspective on the design of robust, large-scale retrieval systems.
Authors: Ben Wan, Yan Feng, Zihan Tang, Weizhe Huang, Yuting Zeng, Jia Wang, Tongxuan Liu
Abstract: DeepSeek-OCR leverages visual-text compression to reduce long-text processing costs and accelerate inference, yet visual tokens remain prone to redundant textual and structural information. Moreover, current token pruning methods for conventional vision-language models (VLMs) fail to preserve textual fidelity due to improper compression mechanisms. By analyzing the decoding process of DeepSeek-OCR, we find that a distinct two-stage reading trajectory: the model initially prioritizes the majority of high-norm tokens, then subsequently redistributes its attention to the remaining ones. Motivated by this insight, we propose RTPrune, a two-stage token pruning method tailored for DeepSeek-OCR. In the first stage, we prioritize high-norm visual tokens that capture salient textual and structural information. In the second stage, the remaining tokens are paired and merged based on optimal transport theory to achieve efficient feature aggregation. We further introduce a dynamic pruning ratio that adapts to token similarity and textual density for OCR tasks, enabling a better efficiency-accuracy trade-off. Extensive experiments demonstrate state-of-the-art performance, as evidenced by 99.47% accuracy and 1.23$\times$ faster prefill on OmniDocBench, achieved with 84.25% token retention when applied to DeepSeek-OCR-Large.
Authors: Mohammad Mahdi Abaei, Ahmad BahooToroody, Arttu Poloj\"arvi, Heikki Remes, Ulf Tyge Tygesen, Mikko Suominen, Michael Beer
Abstract: Monitoring high-dimensional engineering structures in extreme environments is limited by non-stationary excitation, nonlinear structural kinematics, and stochastic forcing. Traditional model-based and black-box data-driven methods often struggle to resolve these dynamics in real time, particularly under sensor failure or partial observability. This paper introduces a rank-optimized digital twin framework based on Koopman operator theory, Hankel-matrix embeddings, and dynamic mode decomposition. By lifting operational data into a linear invariant subspace, the method enables autonomous, input-blind reconstruction of structural states without requiring a priori mass or stiffness matrices. The framework is validated on an NREL 5MW spar-buoy floating offshore wind turbine, representing a challenging coupled aero-hydro-servo-elastic system. Results show that the rank-optimized Koopman-Hankel manifold separates structural resonances from deterministic 3P rotor harmonics under colored noise, where standard subspace identification can be unreliable. A rolling-horizon virtual sensing strategy achieves high-fidelity reconstruction at critical structural hotspots, with coefficient of determination greater than 0.95 at 1 Hz data assimilation and accuracy exceeding 0.99 at higher sampling rates. By estimating a physical Lyapunov time of approximately 1.0 s, the study defines the predictability horizon associated with the system information barrier. The proposed framework provides a computationally efficient and resilient digital twin approach for real-time identification and virtual sensing of complex structural dynamics.
Authors: Kevin H. Guo, Chao Yan, Avinash Baidya, Katherine Brown, Xiang Gao, Juming Xiong, Zhijun Yin, Bradley A. Malin
Abstract: Medical large language model (LLM) evaluations rely on simplified, exam-style benchmarks that rarely reflect the ambiguity of real-world medical inquiries. We introduce the CLinical Evaluation of Ambiguity and Reliability (CLEAR) framework, which assesses how decision-space presentation, ambiguity, and uncertainty affect LLMs' reasoning on medical benchmarks. CLEAR systematically perturbs (1) the number of plausible answer options, (2) the presence of a ground truth or abstention option, and (3) the semantic framing of answer options. Applying CLEAR on three benchmarks evaluated across 17 LLMs reveals three notable limitations of existing evaluation methods. First, increasing the number of plausible answers degrades a model's ability to identify the correct answer and abstain against incorrect ones. Second, this lack of caution intensifies as the framing of abstention shifts from assertive rejection like "None of the Above" to uncertainty admission like "I don't know" (IDK). Notably, just including IDK in the answer space increases incorrect answer selections. Lastly, we formalize the performance gap between identifying the correct answer and abstaining from incorrect ones as the humility deficit, which worsens with model scale. Our findings reveal limitations in standard medical benchmarks and underscore that scaling alone does not resolve LLM reliability issues.
Authors: Anjie Liu, Ziqin Gong, Yan Song, Yuxiang Chen, Xiaolong Liu, Hengtong Lu, Kaike Zhang, Chen Wei, Jun Wang
Abstract: Visual perception in modern Vision-Language Models (VLMs) is constrained by a perceptual bandwidth bottleneck: a broad field of view preserves global context but sacrifices the fine-grained details required for complex reasoning. We argue that high-resolution visual reasoning is therefore not only semantic reasoning but also task-relevant evidence acquisition under limited perceptual bandwidth. Inspired by active vision and information foraging, we formalise this process as sequential Bayesian optimal experimental design (S-BOED), where an agent decides which visual evidence to acquire before answering. Since exact Bayesian inference is intractable in continuous gigapixel spaces, we derive a tractable coverage--resolution objective as a proxy for task-relevant information gain. We instantiate this framework with FOVEA, a training-free procedure that refines VLM crop proposals through evidence-oriented probing. Experiments on high-resolution benchmarks show consistent gains over direct and ReAct-style baselines, with particularly strong improvements in search-dominated remote-sensing settings.
Authors: Yao Du, Shanshan Song, Xiaomeng Li
Abstract: Multimodal large language models (MLLMs) struggle with numerical regression under long-tailed target distributions. Token-level supervised fine-tuning (SFT) and point-wise regression rewards bias learning toward high-density regions, leading to regression-to-the-mean behavior and poor tail performance. We identify the lack of cross-sample relational supervision as a key limitation of existing MLLM training paradigms. To address it, we propose a distribution-aware reinforcement learning framework based on Group Relative Policy Optimization, which introduces batch-level comparison-based supervision via the Concordance Correlation Coefficient-based reward to align predicted and ground-truth distributions in terms of correlation, scale, and mean. The framework is plug-and-play, requiring no architectural modification. Experiments on a unified suite of long-tailed regression benchmarks show consistent improvements over SFT and existing MLLM regression methods, with particularly strong gains in medium- and few-shot regimes.
Authors: Yipin Guo, Siddharth Joshi
Abstract: Contemporary systems serving large language models (LLMs) have adopted prefill-decode disaggregation to better load-balance between the compute-bound prefill phase and the memory-bound decode phase. Under this design, prefill workers generate a KV cache that must be transferred to decode workers before token generation can begin. With these workers residing on different physical systems, this transfer becomes a significant bottleneck to serving LLMs at scale. This bottleneck gets exacerbated for long-input and agentic workloads. Existing lossless codecs are not suited to this setting as they primarily target offline weight compression, run on the CPU, or use variable-length coding whose decompression is fast but compression is too slow to keep up with KV production during prefill. We introduce SplitZip, a GPU-friendly lossless compressor for KV cache transfer that preserves KV tensors bitwise and integrates into existing serving frameworks without changes to model execution. SplitZip exploits redundancy in floating-point exponents of KV activations, encoding the most frequent exponent values with fixed-length codes and routing rare exponents through a sparse escape stream of (position, value). An offline calibrated top-16 exponent codebook eliminates online-histogramming, while the regular dense path and sparse escape correction make both encoding and decoding efficient on GPUs. On real BF16 activation tensors, SplitZip achieves $613.3$ GB/s compression throughput and $2181.8$ GB/s decompression throughput, substantially outperforming prior lossless compressors on the latency-critical codec path. End-to-end transfer experiments show up to $1.32\times$ speedup for BF16 KV cache transfer, $1.30\times$ speedup for TTFT, and $1.23\times$ increase on Request Throughput. The same approach extends to FP8 KV caches, providing up to $1.14\times$ compression over native E5M2.
Authors: Haohan Yu, Jinmiao Cong, Shengzhi Wang, Lu Wang, Chanjuan Liu
Abstract: A key challenge in multi-agent reinforcement learning (MARL) lies in designing learning signals that effectively promote coordination among agents. Designing such signals requires estimating how one agent's current action affects its teammates over future interaction steps. To address this, we introduce Multi-step Advantage-Gated Interventional Causal MARL (MAGIC), a framework that estimates multi-step action effects between agents and selectively converts them into intrinsic rewards. MAGIC uses counterfactual action interventions to compare teammate futures under factual and counterfactual branches, and introduces a gate based on advantage to direct exploration toward beneficial behaviors aligned with the task goal. Experiments on Multi-Agent Particle Environments (MPE) and StarCraft micromanagement benchmarks (SMAC and SMACv2) show that MAGIC consistently outperforms leading prior methods, with average relative final performance improvements of 26.9% and 10.1%, respectively.
Authors: Yijiang Li, Emon Dey, Zilinghan Li, Krishnan Raghavan, Ravi Madduri, Kibaek Kim
Abstract: Federated learning (FL) across multiple HPC facilities faces stochastic admission delays from batch schedulers that dominate wall-clock time. Synchronous FL suffers from severe stragglers, while asynchronous FL accumulates stale updates when queues spike. We propose FedQueue, a queue-aware FL protocol that incorporates scheduler delays directly into training and aggregation, which (i) predicts per-facility queue delays online to budget local work, (ii) applies cutoff-based admission that buffers late arrivals to bound staleness, and (iii) performs staleness-aware aggregation to stabilize heterogeneous local workloads. We prove the convergence for non-convex objectives at rate $\mathcal{O}(1/\sqrt{R})$ under bounded staleness, and show that the admission controls yield bounded staleness with high probability under queue-prediction error. Real-world cross-facility deployment of FedQueue shows 20.5% improvement over baseline algorithms. Controlled queue simulations demonstrate robust improvement over the baselines; in particular, about 34% reduction in time to reach a target accuracy level under high queue variance and non-IID partitions.
Authors: Peggy Joy Lu, Wei-Yu Chen, Yao-Tsung Huang, Vincent Shin-Mu Tseng
Abstract: We propose HeroCrystal, a novel privacy-preserving framework for multi-camera domain-adaptive object detection, addressing challenges such as data privacy, class imbalance, and heterogeneous architectures. Our framework consists of three key stages. In the Generated Stage, we introduce a one-shot, target-aware diffusion-based generation module that learns visual style from a single target-domain image while leveraging prompt-based control to synthesize specific object instances. Unlike conventional style transfer-based methods that require large target datasets and ignore semantic-level discrepancies, our approach enables privacy-preserving augmentation to reduce ethical concerns, and introduces controllable rare object generation to mitigate long-tailed category degradation. In the Federated Stage, we employ probabilistic Faster R-CNN on the client side to improve localization accuracy, and a dynamic model contrastive strategy to suppress domain-specific bias. The server side performs model fusion across heterogeneous architectures without accessing raw data. Finally, in the Distilled Stage, we propose an inconsistent categories integration algorithm to resolve label inconsistency and architecture heterogeneity across clients. Extensive experiments on multiple cross-domain detection benchmarks demonstrate that our method outperforms existing multi-source domain adaptation and federated learning baselines under multi-class, privacy-preserving settings. Our method improves mAP by +2.1% over prior privacy-preserving approaches and achieves a new state-of-the-art mAP of 33.4%, highlighting the effectiveness of HeroCrystal in enabling practical multi-camera AI surveillance systems. The source code is publicly available at https://github.com/ccuvislab/HeroCrystal.
Authors: Po-Heng Chou, Chiapin Wang, Chung-Chi Huang, Kuan-Hao Chen
Abstract: In this paper, we propose a dueling double deep Q-network (DDQN)-based adaptive multi-objective handover framework for low Earth orbit (LEO) satellite networks. The proposed method enables dynamic trade-off learning among throughput, blocking probability, and switching cost under time-varying network conditions. Simulation results demonstrate that the proposed approach consistently outperforms conventional baselines, achieving up to 10.3% throughput improvement and near-zero blocking under typical operating conditions.
Authors: Jian Xu, Wei Chen, Shigui Li, Chao Li, Jingyuan Zheng, Delu Zeng, John Paisley, Qibin Zhao
Abstract: In quantum machine learning (QML), classical data are often encoded as quantum pure states and processed directly as quantum representations, motivating representation-level generative modeling that samples new quantum states from an underlying pure-state ensemble rather than re-preparing them from perturbed classical inputs. However, extending \emph{score-based} diffusion models with well-defined reverse-time samplers to quantum pure-state ensembles remains challenging, due to the non-Euclidean geometry of the complex projective space $\mathbb{CP}^{d-1}$ and the intractability of transition densities. We propose \emph{Stochastic Schr\"odinger Diffusion Models} (SSDMs), an intrinsic score-based generative framework on $\mathbb{CP}^{d-1}$ endowed with the Fubini--Study (FS) metric. SSDMs formulate a forward Riemannian diffusion with a stochastic Schr\"odinger equation (SSE) realization, and derive reverse-time dynamics driven by the Riemannian score $\nabla_{\mathrm{FS}} \log p_t$. To enable training without analytic transition densities, we introduce a local-time objective based on a local Euclidean Ornstein--Uhlenbeck approximation in FS normal coordinates, yielding an analytic teacher score mapped back to the manifold. Experiments show that SSDMs faithfully capture target pure-state ensemble statistics, including observable moments, overlap-kernel MMD, and entanglement measures, and that SSDM-generated quantum representations improve downstream QML generalization via representation-level data augmentation.
Authors: Zirui Tang, Xuanhe Zhou, Yumou Liu, Linchun Li, Weizheng Wang, Hongzhang Huang, Jun Zhou, Jiachen Song, Shaoli Yu, Jinqi Wang, Zihang Zhou, Hongyi Zhou, Jinyang Li, Jiashuo Liu, Chunwei Liu, GuoLiang Li, Fan Wu
Abstract: Workspace learning requires AI agents to identify, reason over, exploit, and update explicit and implicit dependencies among heterogeneous files in a worker's workspace, enabling them to complete both routine and advanced tasks effectively. Despite its importance, existing relevant benchmarks largely evaluate agents on pre-specified or synthesized files with limited real-world dependencies, leaving workspace-level evaluation underexplored. To this end, we introduce Workspace-Bench, a benchmark for evaluating AI agents on Workspace Learning invOlving Large-Scale File Dependencies. We construct realistic workspaces with 5 worker profiles, 74 file types, 20,476 files (up to 20GB) and curate 388 tasks, each with its own file dependency graph, evaluated across 7,399 total rubrics that require cross-file retrieval, contextual reasoning, and adaptive decision-making. We further provide Workspace-Bench-Lite, a 100-task subset that preserves the benchmark distribution while reducing evaluation costs by about 70%. We evaluate 3 popular agent harnesses and 5 foundation models. Experimental results show that current agents remain far from reliable workspace learning, where the best reaches only about 60%, substantially below the human result of 80.7%, and the average performance across agents is only 45.1%.
Authors: Davide Marincione, Michele Mancusi, Giorgio Strano, Luca Cerovaz, Donato Crisostomi, Roberto Ribuoli, Emanuele Rodol\`a
Abstract: Stem retrieval, the task of matching missing stems to a given audio submix, is a key challenge currently limited by models that discard temporal information. We introduce PHALAR, a contrastive framework achieving a relative accuracy increase of up to $\approx 70\%$ over the state-of-the-art while requiring $<50\%$ of the parameters and a 7$\times$ training speedup. By utilizing a Learned Spectral Pooling layer and a complex-valued head, PHALAR enforces pitch-equivariant and phase-equivariant biases. PHALAR establishes new retrieval state-of-the-art across MoisesDB, Slakh, and ChocoChorales, correlating significantly higher with human coherence judgment than semantic baselines. Finally, zero-shot beat tracking and linear chord probing confirm that PHALAR captures robust musical structures beyond the retrieval task.
Authors: Haruka Ezoe, Ryohei Hisano
Abstract: A central challenge in dynamic network analysis is to represent temporal evolution in a way that is both geometrically meaningful and statistically identifiable. One approach embeds a sequence of network snapshots as trajectories in a Euclidean space and relates these trajectories to node embeddings. In multilayer and unfolded spectral constructions, however, node embeddings and their underlying latent positions are identifiable only up to general linear transformations. Although this ambiguity preserves edge probabilities, it can distort geometry and invalidate distance based temporal comparisons at both the trajectory and node-levels. We develop Multiscale Euclidean Network Trajectories (MENT), a framework for multiscale temporal trajectories based on second-moment geometry. By imposing an isotropic normalization on the anchor latent positions, we reduce the relevant ambiguity to orthogonal transformations and prevent distortion of the second-moment geometry. In this canonical representation, we define a trace variation distance and mode-wise variation distances along orthogonal directions, and use multidimensional scaling to obtain low-dimensional trajectories of time points at both global and mode-wise levels. The resulting trajectories support interpretation and inference. They admit mode-wise decompositions, support attribution of global and mode-wise temporal changes to nodes, and enable change point detection through 1D trajectories. We prove consistency of the proposed unfolded spectral embedding and of the induced temporal trajectories. Experiments on two synthetic and two real dynamic networks illustrate stable and interpretable recovery of temporal structure and show strong performance against existing change point detection baselines.
Authors: Zishu Zhou, Zaipeng Xie, Xuanyao Jie
Abstract: Wearable human activity recognition (WHAR) models often suffer from performance degradation under real-world cross-user distribution shifts. Test-time adaptation (TTA) mitigates this degradation by adapting models online using unlabeled test streams, yet existing methods largely inherit assumptions from vision tasks and underexploit the inherent inter-window temporal structure in WHAR streams. In this paper, we revisit such temporal structure as a feature-conditioned inference signal rather than merely an output-space smoothing prior. We derive the insight that temporal continuity and observation-induced feature deviations provide complementary cues for determining when to preserve or release temporal inertia and where to route prediction refinement during likely transitions. Building upon this insight, we propose SIGHT, a lightweight and backpropagation-free TTA framework for WHAR, enabling real-time edge deployment. SIGHT estimates predictive surprise by comparing the current feature with a prototype-based expected state, and then uses the resulting feature deviation to guide geometry-aware transition routing based on prototype alignment and stream-level marginal habit tracking. Evaluations on real-world datasets confirm that SIGHT outperforms existing TTA baselines while reducing computational and memory costs.
Authors: Daniel Grimmer
Abstract: Evolutionary computation has long promised to deliver both high-performance optimization tools as well as rigorous scientific simulations of Darwinian evolution. However, modern algorithms frequently abandon evolutionary fidelity for physics-inspired heuristics or superficial biological metaphors. This paper derives a suite of advanced gradient-based optimization algorithms directly from evolutionary first principles. We introduce Darwinian Lineage Simulations (DLS) to prove that, in an asexual context, Fisher's and Wright's historically opposed views of evolution are actually formally equivalent; One can partition Fisher's deterministically-evolving total population into Wright's randomly-drifting sub-populations. We prove that proper bookkeeping requires introducing a specific kind of structured noise (the DLS noise relation). Crucially, any bookkeeping choices which satisfy this relation will yield a faithful simulation of evolution. Using this vast representational freedom, we prove that a broad family of battle-tested optimization algorithms are already perfectly compatible with evolutionary dynamics. These include: Stochastic Gradient Descent as well as many regularizations/approximations of Newton's method and Natural Gradient Descent. By simply adding DLS noise (i.e., evolutionarily faithful genetic drift), these algorithms become scientifically valid in silico simulations of Darwinian evolution. Finally, we demonstrate that even the state-of-the-art Adam optimizer can be brought into evolutionary compliance through a minor mathematical surgery.
Authors: Anton Selitskiy, David Millard
Abstract: This paper shows that the semi-dual formulation of the optimal transport problem has a degenerate saddle-point structure, and that its numerical solution is equivalent to solving a constrained optimization problem. We derive necessary and sufficient conditions for the convergence of Monge maps without requiring optimality of the dual potential. This analysis helps explain why, in practice, numerical algorithms often require more iterations to update the transport map than the potential.
Authors: Jannis Chemseddine, Gregor Kornhardt, Gabriele Steidl
Abstract: We study the problem of learning generative models for discrete sequences in a continuous embedding space. Whereas prior approaches typically operate in Euclidean space or on the probability simplex, we instead work on the sphere $\mathbb S^{d-1}$. There the von Mises-Fisher (vMF) distribution induces a natural noise process and admits a closed-form conditional score. The conditional velocity is in general intractable. Exploiting the radial symmetry of the vMF density we reduce the continuity equation on $\mathbb S^{d-1}$ to a scalar ODE in the cosine similarity, whose unique bounded solution determines the velocity. The marginal velocity and marginal score on $(\mathbb S^{d-1})^L$ both decompose into posterior-weighted tangent sums that differ only by per-token scalar weights. This gives access to both ODE and predictor-corrector (PC) sampling. The posterior is the only learned object, trained by a cross-entropy loss. Experiments compare the vMF path against geodesic and Euclidean alternatives. The combination of vMF and PC sampling significantly improves results on Sudoku and language modeling.
Authors: Joseph D. Ramsey
Abstract: Gaussian process (GP) marginal likelihood scores and kernel conditional independence tests are theoretically appealing for nonlinear causal discovery but computationally prohibitive at scale. We present three complementary RFF-based methods forming a practical toolkit for score-based, constraint-based, and hybrid causal discovery. The Fourier Feature Marginal Likelihood (FFML) score approximates the exact GP marginal likelihood by replacing the $n x n$ kernel Gram matrix with a finite-dimensional feature representation, reducing cost to $O(nm^2 + m^3)$ while retaining the probabilistic interpretation and automatic complexity penalty of the exact score. FFML extends to mixed (continuous and discrete) parent sets via a product-kernel construction, with a Kronecker path for small discrete parent sets and a Hadamard-product path otherwise. The Tetrad Random Fourier Feature (TRFF) score is a complementary BIC-style alternative using penalized Student-t regression with random Fourier features. TRFF offers robustness to heavy-tailed noise and faster runtime than FFML. Empirically, TRFF and FFML exhibit a complementary precision-recall profile: TRFF achieves higher precision while FFML achieves better recall and lower SHD overall. The Fourier Feature Conditional Independence (FFCI) test is a fast nonparametric CI test for mixed data, using ridge residualization in feature space and a Frobenius-norm cross-covariance statistic approximated as a weighted sum of chi-squared variables. Empirically, BOSS+FFML achieves the lowest SHD on nonlinear data, while BOSS+TRFF offers the highest precision. When run through PC-Max, FFCI and RCIT exhibit complementary precision-recall profiles: RCIT is more precise while FFCI achieves better recall and substantially lower SHD, at approximately twice the runtime.
Authors: Nong Minh Hieu, Antoine Ledent
Abstract: Contrastive Representation Learning (CRL) has achieved strong empirical success in multiple machine learning disciplines, yet its theoretical sample complexity remains poorly understood. Existing analyses usually assume that input tuples are identically and independently distributed, an assumption violated in most practical settings where contrastive tuples are constructed from a finite pool of labeled data, inducing dependencies among tuples. While one recent work analyzed this learning setting using U-Statistics to estimate the population risk, the techniques used therein require the risk of each class to concentrate uniformly, making excess risk bounds scale in the order of $\rho_{\min}^{-{1}/{2}}$ where $\rho_{\min}$ denotes the probability of the rarest class. Such a dependency can be overly pessimistic in the extreme multiclass settings where there are many tail classes which contribute minimally to the overall population risk. Our contributions are two-fold. Firstly, we improve upon the previous work and prove a bound with a sample complexity of the same order as the number of classes $R$, regardless of the distribution over classes. Furthermore, we formulate a different estimator that captures the concentration of the risk \textit{across classes}, enabling sharper bounds in extreme multi-class learning scenarios, especially where class distributions are long-tailed. Under mild assumptions on the class distributions, the resulting sample complexity is $\mathcal{{O}}(k)$ where $k$ is the number of samples per tuple.
Authors: Francesc Levrero-Florencio, Youngkyu Lee, Jay Pathak, George Em Karniadakis
Abstract: The convergence of Krylov-based linear iterative solvers applied to parametric partial differential equations (PDEs) is often highly sensitive to the domain, its discretization, the location/values of the applied Dirichlet/Neumann boundary conditions, body forces and material properties, among others. We have previously introduced hybridization of classical linear iterative solvers with neural operators for specific geometries, but they tend to not perform well on geometries not previously seen during training. We partially addressed this challenge by introducing the deep operator network Geo-DeepONet and hybridizing it with Krylov-based iterative linear solvers, which, despite learning effectively across arbitrary unstructured meshes without requiring retraining, led to only modest reductions in iterations compared to state-of-the-art preconditioners. In this study we introduce Neural Subspace Proper Orthogonal Decomposition (NSPOD), a multigrid-like deep operator network-based preconditioner which can dramatically reduce the number of iterations needed for convergence in Krylov-based linear iterative solvers, even when compared to state-of-the-art methods such as algebraic multigrid preconditioners. We demonstrate its efficiency via numerical experiments on a linearized version of solid mechanics PDEs applied to unstructured domains obtained from complex CAD geometries. We expect that the findings in this study lead to more efficient hybrid preconditioners that can match, or possibly even surpass, the convergence properties of the current gold standard preconditioning methods for solid mechanics PDEs.
Authors: Valentin Kilian, Stefano Cortinovis, Fran\c{c}ois Caron
Abstract: Confidence sequences based on test martingales provide time-uniform uncertainty quantification for the mean of bounded IID observations without parametric distributional assumptions. Their practical efficiency, however, depends strongly on the choice of martingale updates, and many existing constructions do not exploit prior information about plausible data-generating distributions or mean values. We propose a Bayes-assisted framework that uses a Bayesian working predictive model to adaptively construct confidence sequences. For each candidate mean and time point, the predictive distribution selects, among valid one-step martingale factors, the update maximising predictive expected log-growth; validity is therefore preserved even when the prior or working model is misspecified. We prove that if the predictive distribution is Wasserstein-consistent, the resulting procedure is asymptotically log-optimal, matching the per-sample log-growth of an oracle procedure with access to the true distribution. We instantiate the framework using robust predictives based on Dirichlet-process mixtures and Bayesian exponentially tilted empirical likelihood. Experiments on synthetic data, sequential best-arm identification for LLM evaluation, and prediction-powered inference show that informative priors can substantially reduce confidence-sequence width and sampling effort while retaining anytime-valid coverage.