Authors: Fei Zuo, Zikang Zhou, Hao Cong, Xiaoyan Xi, Ho Fai Leung
Abstract: Large language models cache all previously computed key-value (KV) pairs during generation, and this KV cache grows linearly with sequence length, making it a primary memory bottleneck for serving. Quantizing the KV cache to fewer bits reduces this cost, yet all current quantizers assign the same bit-width to every attention head, ignoring the large variation in head importance. A natural idea is to allocate more bits to important heads and fewer to the rest. We show, however, that such mixed-precision allocation has a hidden pitfall: each quantizer follows a different distortion curve D(b)=alpha*beta^{-b}, and the decay rate beta varies from 3.6 to 5.3 across quantizer designs. Applying one quantizer's distortion model to another inverts the allocation order and makes performance worse than uniform quantization. We call this failure mode distortion model mismatch and propose RateQuant to resolve it. RateQuant fits a per-quantizer distortion model from a small calibration set, then solves the resulting bit-allocation problem in closed form via reverse waterfilling from rate-distortion theory. On Qwen3-8B at 2.5 average bits, calibrated RateQuant reduces KIVI's perplexity from 49.3 to 14.9 (70% reduction) and improves QuaRot by 6.6 PPL. The entire calibration takes 1.6 s on a single GPU and adds zero overhead at inference time.
Authors: Enshuai Zhou, Yifan Hao, Chao Wang, Rui Zhang, Di Huang, Jiaming Guo, Xing Hu, Zidong Du, Qi Guo, Yunji Chen
Abstract: Long-context inference in Large Language Models (LLMs) is bottlenecked by the linear growth of Key-Value (KV) cache memory. Existing KV cache compression paradigms are fundamentally limited by heuristics: heuristic budgeting relies on statistical priors rather than task objectives, causing resource misallocation, while heuristic selection relies on coupled query-key interactions or static inductive biases (e.g., attention sinks). To address this limitation, we introduce LKV (Learned KV Eviction), which formulates KV compression as an end-to-end differentiable optimization problem. LKV integrates LKV-H to learn task-optimized global budgets, and LKV-T to derive intrinsic KV importance without materializing attention matrices. This design bypasses heuristic proxies, strictly aligning compression with task objectives. Extensive evaluations demonstrate that LKV achieves state-of-the-art performance on both LongBench and RULER benchmarks at high compression rates. In particular, on LongBench, LKV achieves near-lossless performance with only 15\% KV cache retention. Crucially, our analysis identifies learned budgeting as the dominant driver of fidelity, demonstrating that data-driven allocation is essential to overcome the limitations of hand-crafted heuristics.
Authors: Antoine Heranval (BioSP), Olivier Lopez (CREST), Didier Ngatcha (CREST), Daniel Nkameni (CREST)
Abstract: According to the United Nations Office for Disaster Risk Reduction (2025), the average annual cost of natural catastrophes increased from 70--80 billion USD between 1970 and 2000 to 180--200 billion USD between 2001 and 2020. Reports from organizations such as the IFOA and the WWF highlight the need for the insurance sector to adapt to this rapidly evolving context by developing medium- to long-term strategies that go beyond the one-year horizon of prudential regulations such as Solvency II. This paper introduces an artificial intelligence framework based on Conditional Generative Adversarial Networks (Conditional GANs) to generate future spatio-temporal trajectories of climatic indices. The approach focuses on the Soil Wetness Index (SWI), a key indicator used in France to assess drought severity. Drought accounts for approximately 30% of the indemnities paid under the French natural catastrophe insurance scheme. The proposed model, SwiGAN, simulates plausible drought propagation patterns up to 2050 for a region of France particularly exposed to this hazard. By generating realistic sequences of SWI maps, SwiGAN provides insights into drought dynamics under climate change scenarios and supports the design of adaptive risk management and insurance strategies. The methodology is also generalizable to other climate-related perils and actuarial applications such as economic scenario generation.
Authors: Yubo Jiang, Yitong An, Xin Yang, Abudukelimu Wuerkaixi, Xuxin Cheng, Fengying Xie, Zhiguo Jiang, Cao Liu, Ke Zeng, Haopeng Zhang
Abstract: Vision-Language Models (VLMs) are frequently undermined by object hallucination, generating content that contradicts visual reality, due to an over-reliance on linguistic priors. We introduce Positive-and-Negative Decoding (PND), a training-free inference framework that intervenes directly in the decoding process to enforce visual fidelity. PND is motivated by our finding of an attention imbalance in VLMs, where visual features are under-weighted. Our framework introduces a dual-path contrast: a positive path that amplifies visual evidence and a negative path that constructs counterfactuals to penalize prior-dominant generation. By contrasting outputs from both paths during decoding, PND steers generation toward visually grounded results. Experiments on POPE, MME, and CHAIR demonstrate state-of-the-art performance without retraining.
Authors: Chenxi Tao, Seung-Kyum Choi
Abstract: Flow matching generates data by integrating a learned velocity field, where the number of integration steps (NFE) directly determines inference cost. We analyze which properties of the velocity field govern integration error by decomposing the velocity Jacobian into its symmetric part S (strain rate) and antisymmetric part Omega (vorticity). We prove that strain and vorticity play different roles: strain controls exponential error amplification through the logarithmic norm, while vorticity contributes only linearly to the local truncation error. We further show that the optimal transport velocity field is irrotational and has zero material derivative, implying second-order Euler accuracy; for exact displacement interpolation, the associated Lagrangian particle dynamics are integrated exactly by Euler. Motivated by this analysis, we study weighted Jacobian regularization with strain weight alpha and vorticity weight beta. Experiments on 2D synthetic data confirm the main theoretical predictions, showing up to 2.7x lower integration error at NFE=5. Preliminary CIFAR-10 experiments show consistent trends, with a lightweight fine-tuning procedure improving FID by 14 percent at NFE=10 while preserving high-NFE quality.
Authors: Lorenzo Riccardo Allegrini, Geremia Pompei
Abstract: A hierarchical ensemble pipeline is introduced to address anomaly detection in multivariate telemetry data provided by European Space Agency (ESA). The method integrates shapelet-based and statistical feature extraction, per-channel modeling, intra-channel stacking, and a final cross-channel aggregation. The pipeline is trained and validated using time-series cross-validation and two-level masking strategies to prevent information leakage. Results on the European Space Agency Anomaly Detection Benchmark (ESA-ADB) challenge demonstrate strong generalization, highlighting the effectiveness of hierarchical modeling in detecting subtle anomalies in realistic satellite telemetry.
Authors: Benjamin L. Badger, Ethan Roland
Abstract: Transformer-based large language models are in some respects limited by the quadratic time and space computational complexity of attention. We introduce the Toeplitz MLP Mixer (TMM), a transformer-like architecture that swaps attention for triangular-masked Toeplitz matrix multiplication over the sequence dimension resulting in $\mathcal{O} (dn \log n)$ time and $\mathcal O(dn)$ space complexity during training and $\mathcal O(dn)$ time and space at inference prefill. Despite the lack of sophisticated input modulation or state maintenance present in other sub-quadratic architectures, TMMs yield greater training efficiency in terms of loss achieved per compute and device memory. We demonstrate that TMMs are capable of retaining more input information resulting in improved copying ability, which we argue results from a lack of architectural biases. Consistent with higher input information retention, TMMs exhibit superior information retrieval and in-context learning benchmark accuracy compared to comparable architectures. We conclude with an analysis from the perspective of operator index theory and show that, counterintuitively, trained Toeplitz layers of causal non-invertible models are more likely to be invertible or nearly so than models that are actually invertible over their inputs.
Authors: Abdul Azim, Ahmed Hossain, Soumyadip Maitra, Panick Kalambay
Abstract: Tree-involved crashes represent a critical subset of run-off-road (ROR) collisions, often resulting in fatal or severe injuries due to high-energy impacts. This study develops a comprehensive analytical framework to identify and quantify risk factors contributing to crash severity in tree-involved collisions using the Crash Report Sampling System (CRSS) database spanning 2020-2023. The modeling framework follows a multi-step process. First, a machine learning based classification model (CatBoost) identifies key factors associated with binary crash injury severity (KA: fatal or incapacitating injury versus BC: non-incapacitating or possible injury). Second, SHapley Additive exPlanations (SHAP) tool is used to quantify and visualize the marginal effects of top influential factors on crash severity. Third, a binary logistic regression model estimates factor effects and validates SHAP-derived importance measures. Finally, SHAP interaction plots examine the combined effects of key contributing factors. Results reveal restraint non-use as the most influential predictor, with unrestrained occupants nearly three times more likely to experience severe outcomes due to ejection risk. Vehicle age, speeding violations, and driver impairment demonstrate substantial effects, reflecting reduced crashworthiness, increased impact forces, and reduced control capabilities. Critical interactions emerge between lighting conditions and vehicle age, speeding and lighting conditions, restraint use and vehicle age, and road surface and speeding, demonstrating additive risk effects with specific interactions. These findings provide critical insights for targeted safe system-based interventions, including enhanced seat belt enforcement, speed management in reduced visibility conditions, and vehicle fleet modernization.
Authors: Kirk Bansak, Elisabeth Paulson, Dominik Rothenh\"ausler, Jeremy Ferwerda, Jens Hainmueller, Michael Hotard
Abstract: Previous research has investigated the potential of refugee matching for boosting refugee outcomes, first considered by Bansak et al. (2018). This paper demonstrates the stability of counterfactual impact evaluation results in the context of refugee matching in the United States using a range of off-policy evaluation methods. In order to estimate counterfactual impact and test the robustness of our results, we employ several evaluation methods, including inverse probability weighting (IPW) and multiple variants of augmented inverse probability weighting (AIPW). We also consider various modifications, including alternative modeling architectures and different assignment procedures. The impact estimates remain consistent in magnitude in all scenarios as well as statistically significant in most cases. Furthermore, the estimates are also consistent with the results originally presented in Bansak et al. (2018).
Authors: Justin Sanders, Luca Giancardo, Lan Guo, Yue Zhao, Kemal Sonmez, Nina Cheng, Melih Yilmaz
Abstract: Antibody therapeutics are among the most successful modern medicines, yet computationally designing antibodies with desirable binding and developability properties remains challenging. While protein language models (pLMs) have emerged as powerful tools for antibody sequence design, existing approaches largely suffer from two key limitations: they predominantly memorize germline sequences rather than modeling biologically meaningful somatic variation, and they offer limited support for flexible classifier-guided conditional generation. We address these challenges through two primary contributions. First, we demonstrate that discrete diffusion fine-tuning achieves strong language modeling performance on antibody sequences while allowing for generation conditioned on any off-the-shelf classifier. Second, we introduce germline absorbing diffusion, a novel modification of the discrete diffusion noise process in which the germline sequence - rather than a masked sequence - serves as the absorbing state. This biologically motivated inductive bias restricts the model to learning the trajectory from germline to observed sequence, effectively excluding genetic variation and V(D)J recombination statistics from the learned distribution and dramatically mitigating germline bias. We show that germline diffusion improves non-germline residue prediction accuracy from 26 percent to 46 percent, approaching the theoretical upper bound set by true biological variability. We then demonstrate the utility of our germline diffusion model on the conditional generation tasks of sampling antibodies with improved hydrophobicity and predicted binding affinity. On both tasks our model shows an improved tradeoff between class adherence and sample quality, significantly outperforming EvoProtGrad, a popular strategy to sample from pLMs with gradient-based discrete Markov Chain Monte Carlo.
Authors: Qiyu Rao, Haozhe Tian, Homayoun Hamedmoghadam, Danilo Mandic
Abstract: Denoising wearable electroencephalogram (EEG) is inherently challenging since neural activity is not only subtle but also inseparable from spectrally overlapping noise artifacts. Classical signal processing methods, relying on fixed or heuristic rules, cannot handle the time-varying pervasive artifacts in wearable EEGs. Deep learning methods, on the other hand, show promise in decomposition-free EEG denoising using highly expressive neural networks, but the training requires artifact-free EEG, which is inherently unobtainable. To address this, we propose Intelligent Partitioning for Self-supervised Denoising (iPSD). Our method eliminates the need for clean references by learning to partition an input EEG segment into independent noisy realizations with the same underlying signal. This enables self-supervision of deep learning denoisers, even in zero-shot settings where only a single EEG segment to be denoised is available. We validate iPSD through extensive experiments, including validations on wearable EEG from in-ear sensors. The results show that iPSD achieves state-of-the-art performance, most notably under extremely low signal-to-noise ratios (down to -10 dB) and challenging artifacts (e.g., EMG), with spectral fidelity orders of magnitude higher than competitive baselines.
Authors: Obed Irakoze, Prasenjit Mitra
Abstract: Inferring the identity of wildlife species from daily movement data alone is a challenging task. We train sequence models on large-scale, 7-species GPS trajectories from the Movebank platform. Trajectories models are evaluated using a protocol in which entire telemetry studies or regions are heldout during testing. We compare Transformer-based sequence models to LSTM, CNN, and Temporal Convolutional Networks, and find that Transformers consistently achieve higher balanced accuracy with gains of approximately 8 to 22 percentage points, depending on the species and experimental setting. In an elephant binary classification task with 1-hour resolution, the Transformer achieves a balanced accuracy of 0.83 and an AUC of 0.92, substantially outperforming all baseline models. We examine, under data-limited conditions, feature representations by analyzing the differences between a basic displacement-based encoding and an expanded range of movement descriptors that include speed, direction, and turning behavior. With feature augmentation, we see clear performance gains, especially for underrepresented and sparsely represented species, such as large carnivores, lions, and Zebras. Finally, experiments comparing 1-hour and 30-minutetemporal resolutions show that while finer sampling can capture short-term movement patterns for some species, a unified 1-hour resolution yields more promising performance across studies by reducing missing data and ensuring consistent temporal coverage.
Authors: Nuno Batista, Ana Morgado, Oscar Ferraz, Sagar Silva Pratapsi, Jorge Lobo, Gabriel Falcao
Abstract: We introduce a hybrid quantum-classical pipeline, based on neutral-atom reservoir computing, for medical image classification, focusing on the binary classification task of polyp detection. To deal effectively with the high dimensionality, we integrate a guided auto-encoder. This pipeline learns compact and discriminative representations of image data that are also well-suited for quantum reservoir computing. A key challenge in such systems is the non-differentiable nature of quantum measurements, which creates a 'gradient barrier' for standard training. We overcome this barrier by incorporating a differentiable surrogate model that emulates the quantum layer, enabling end-to-end backpropagation through the entire system. This guided training process is jointly optimized for classification accuracy and for faithful image recovery from the auto-encoder. The learned latent representations are encoded as pulse detuning parameters within a Rydberg Hamiltonian, and quantum embeddings are subsequently obtained through expectation values. These embeddings are then passed to a linear classifier. Our simulations show that this method outperforms some traditional approaches that use PCA or unguided autoencoders. We also conduct ablation studies to assess the impact of various quantum and training parameters, demonstrating the robustness and flexibility of our proposed pipeline for real-world medical imaging applications, even in the current NISQ era.
Authors: Arash Shahmansoori
Abstract: We present the E$\Delta$-MHC-Geo Transformer, a novel architecture that unifies Manifold-Constrained Hyper-Connections (mHC), Deep Delta Learning (DDL), and the Cayley transform to obtain input-adaptive, unconditionally orthogonal residual connections. Unlike DDL, whose Householder operator is orthogonal only at $\beta \in \{0,2\}$, our Data-Dependent Cayley rotation $Q(x)=(I+(\beta/2)A(x))^{-1}(I-(\beta/2)A(x))$ preserves orthogonality for all $\beta$ and all inputs. To handle negation, an eigenvalue $-1$ case that Cayley provably excludes, we introduce the E$\Delta$-MHC-Geo Hybrid, which combines Cayley rotation with Householder reflection via a learned operator-selection gate $X'=\gamma(X)Q(X)X+(1-\gamma(X))H_2(X)X$. A midpoint-collapse regularizer, $4\gamma(1-\gamma)$, encourages boundary gate decisions, where each selected component is orthogonal. In matched-parameter comparisons, with approximately 1.79M parameters per model and mean +/- standard deviation over 3 seeds, against four baselines including the concurrent JPmHC, E$\Delta$-MHC-Geo achieves the best long-horizon stability, 1.9x over JPmHC and 3.8x over GPT; the best near-$\pi$ rotation loss, 4.5x over JPmHC on single-plane; strong norm preservation, with 0.001 mean deviation; and 0.96 negation cosine alignment in a diagnostic reflection probe, all with 33% fewer layers. While JPmHC's wider representation excels on pure rotation, its finite Cayley residual mixer excludes an exact $\lambda=-1$ operator and has no reflection branch, motivating our hybrid approach for accessing both connected components of $O(n)$.
Authors: Likhita Yerra (AIVANCITY School of AI and Data), Remi Uttejitha Allam (AIVANCITY School of AI and Data)
Abstract: We introduce Semantic State Abstraction Interfaces (SSAI): a methodological template for mapping sparse unstructured text into $K$ auditable, named coordinates with neutral defaults on no-news days, designed to separate representation hypotheses from optimisation variance in sequential decision systems. Our contribution is the framework and its evaluation protocol, not a claim that SSAI outperforms denser alternatives. We instantiate SSAI with $K=4$ axes (sentiment, risk, confidence, volatility forecast) on a US-equity panel (30 NASDAQ-100 names, FNSPID news, 2019--2023 test), and evaluate it across direct factor portfolios, supervised ridge forecasters, and RL agents (DP-PPO, SAC) that share the same fixed $\phi$. The four-factor factor portfolio reaches 307.2% cumulative return and Sharpe 1.067, but apparent gains versus buy-and-hold (243.6%) fail coverage-stratified controls, reverse at $\geq 0.2$% costs, and are statistically fragile versus a sentiment-only baseline; a PC1 composite and a FinBERT portfolio baseline are stronger ranking signals in this setting. Ridge and RL blocks diagnose representation versus optimiser effects. We position SSAI as an interpretability-performance diagnostic and reusable protocol for sparse-text decision systems.
Authors: Nadav Timor, Ravid Shwartz-Ziv, Micah Goldblum, Yann LeCun, David Harel
Abstract: State-of-the-art model-based reinforcement learning methods train policies on imagined rollouts. These rollouts are trajectories generated by a learned dynamics model and are scored by a learned reward model, but without querying the true environment during policy updates. We study this training paradigm by quantifying how errors in learned dynamics and reward models affect returns and policy optimization. First, we extend the analysis of Asadi et al. (2018) to MDPs with learned reward models, and derive the optimal sample allocation--the ratio of dynamics samples to reward samples that minimizes a bound on return error under power-law scaling assumptions. We identify lower Lipschitz constants of the learned dynamics, reward, and policy as a representation desideratum that tightens this bound, and we connect this perspective to the temporal-straightening objective of Wang et al. (2026). Second, we examine how policy optimization with REINFORCE tolerates noisy rewards, which are often cheaper to obtain. We show that zero-mean reward noise leaves the gradient estimator unbiased and adds at most a variance term that decreases with the number of rollouts. This introduces a practical tradeoff: given a fixed budget, should one buy more rollouts with cheaper but noisier rewards, or fewer rollouts with more expensive but less noisy rewards? We reduce this choice to a one-dimensional optimization problem and characterize the optimum.
Authors: Jinqian Chen, Chang Liu, Jihua Zhu
Abstract: Federated LoRA enables parameter-efficient adaptation of large language models under decentralized data and limited client resources.However, directly averaging LoRA factors is representation-dependent: the same intrinsic update admits infinitely many gauge-equivalent factorizations, so factor-level aggregation can change under arbitrary coordinate choices while the underlying update remains unchanged. This reveals a semantic mismatch in existing federated LoRA aggregation rules. We propose \textbf{GLoRA}, a gauge-aware server representation for federated LoRA.Instead of aggregating raw factors, GLoRA estimates a consensus update subspace from client projectors and aggregates client updates in shared reference coordinates, thereby representing semantic update aggregation entirely in low-rank form. To support heterogeneous client capacities, GLoRA further provides a rank-compatible readout that instantiates adapters of different ranks from the same server state without dense update reconstruction. Experiments on GLUE and SuperNI show that GLoRA consistently outperforms federated LoRA baselines under data, resource, and task heterogeneity, including heterogeneous client ranks, sparse participation, larger backbones, and unseen-task evaluation. GLoRA also achieves a favorable efficiency--performance trade-off, suggesting that effective federated LoRA requires not merely averaging low-rank factors, but defining a semantically meaningful server-side representation for aggregation.
Authors: Kuo-Chung Peng, Samuel Yen-Chi Chen, Jiun-Cheng Jiang, Chen-Yu Liu, En-Jui Kuo, Yun-Yuan Wang, Prayag Tiwari, Andrea Ceschini, Chi-Sheng Chen, Yu-Chao Hsu, Chun-Hua Lin, Tai-Yue Li, Antonello Rosato, Massimo Panella, Simon See, Saif Al-Kuwari, Kuan-Cheng Chen, Nan-Yow Chen, Hsi-Sheng Goan
Abstract: Fast Weight Programmers (FWPs) encode temporal dependencies through dynamically updated parameters rather than recurrent hidden states. Quantum FWPs (QFWPs) extend this idea with variational quantum circuits (VQCs), but existing implementations rely on multi-qubit architectures that are difficult to scale on noisy intermediate-scale quantum (NISQ) devices and expensive to simulate classically. We propose gated QKAN-FWP, a fast-weight framework that integrates FWP with Quantum-inspired Kolmogorov-Arnold Network (QKAN) using single-qubit data re-uploading circuits as learnable nonlinear activation, known as DatA Re-Uploading ActivatioN (DARUAN). We further introduce a scalar-gated fast-weight update rule that stabilizes parameter evolution, supported by a theoretical analysis of its adaptive memory kernel, geometric boundedness, and parallelizable gradient paths. We evaluate the framework across time-series benchmarks, MiniGrid reinforcement learning, and highlight real-world solar cycle forecasting as our main practical result. In the long-horizon setting with 528-month input window and 132-month forecast horizon, our 12.5k-parameter model achieves lower scaled Mean Square Error (MSE), peak amplitude error, and peak timing error than a suite of classical recurrent baselines with up to 13x more parameters, including Long Short-Term Memory (LSTM) networks (25.9k-89.1k parameters), WaveNet-LSTM (167k), Vanilla recurrent neural network (11.5k), and a Modified Echo State Network (132k). To validate NISQ compatibility, we further deploy the trained fast programmer on IonQ and IBM Quantum processors, recovering forecasting accuracy within 0.1% relative MSE of the noiseless simulator at 1024 shots. These results position gated QKAN-FWP as a scalable, parameter-efficient, and NISQ-compatible approach to quantum-inspired sequence modeling.
Authors: Unaza Tallal, Shruti Kshirsagar, Ankita Shukla
Abstract: Accurate sleep stage classification across datasets remains challenging due to variability in EEG channel montages, sampling rates, recording environments, and subject populations. Although deep learning has shown considerable promise for automated sleep staging, most existing cross-dataset methods rely on one-dimensional EEG signal representations, whereas the use of two-dimensional spectrogram-based inputs within an unsupervised domain adaptation framework has remained largely unexplored. Here, we propose STDA-Net (Spectrogram-based Temporal Domain Adaptation Network), a framework that combines a convolutional neural network (CNN) for spectrogram-based feature extraction, a bidirectional long short-term memory (BiLSTM) module for temporal modeling of sleep dynamics, and a domain-adversarial neural network (DANN) for source-to-target feature alignment without requiring any labeled target-domain data during training. Experiments are conducted on three publicly available datasets Sleep-EDF, SHHS-1, and SHHS-2 under six cross-dataset transfer settings. Results show that the proposed framework achieves an average accuracy of 89.03% and an average macro F1-score of 87.64%, consistently outperforming existing 1D baseline methods in terms of balanced classification performance, with substantially lower variance across five independent runs, indicating improved stability and reproducibility. Overall, these findings demonstrate that 2D spectrogram-based representations, combined with temporal modeling and adversarial domain adaptation, provide a robust and competitive alternative to conventional 1D EEG inputs for cross-dataset sleep staging.
Authors: Abhijit Sen, Bikram Keshari Parida, Giridas Maiti, Mahima Arya, Denys I. Bondar
Abstract: We introduce Geometric Kolmogorov--Arnold Networks (GeoKANs), a family of geometry-aware KAN-type models in which approximation is carried out in learned, geometry-adapted coordinates rather than in fixed Euclidean input coordinates. GeoKAN achieves this by learning a diagonal Riemannian metric that warps the input before basis expansion and feature mixing. The learned metric provides a geometric inductive bias through local length scaling and volume distortion, and in physics-informed settings it also affects the differential structure seen by the model. Within this framework, we develop three main variants, namely GeoKAN-NNMetric, GeoKAN-$\gamma$, and LM-KAN. For LM-KAN, we further consider three basis-specific versions, LM-KAN-RBF, LM-KAN-Wav, and LM-KAN-Fourier. These variants allow us to study geometry-aware KAN models both as general function approximators and as surrogates in physics-informed learning. By stretching regions with rapid variation and compressing smoother regions, GeoKAN reallocates representational resolution in a task-dependent manner, allowing the model to place capacity where it is most needed. As a result, GeoKAN is well suited to sharp, stiff, localized, and strongly non-uniform regimes arising in scientific machine learning and differential-equation problems.
Authors: Zixi Li, Youzhen Li
Abstract: Learning-rate steps are usually treated as hyperparameters. This paper isolates a local beliefspace calculation: when an update is modeled as a projected forward step on the probability simplex, admissibility means contractivity in the natural KL/Bregman geometry. Under this model, the upper bound of an admissible step is not a tuning slogan but a formula.
Authors: Ismam Nur Swapnil, Aranya Saha, Tanvir Ahmed Khan, Mohammad Ariful Haque, Ser-Nam Lim
Abstract: Reinforcement learning is widely used to improve the reasoning ability of large language models, especially when answers can be automatically checked. Standard GRPO-style training updates the model using only the current step, while full multi-step lookahead can give a better update direction but is too expensive because it needs many backward passes. We propose Gradient Extrapolation-Based Policy Optimization (GXPO), a plug-compatible policy-update rule for GRPO-style reasoning RL. GXPO approximates a longer local lookahead using only three backward passes during an active phase. It reuses the same batch of rollouts, rewards, advantages, and GRPO loss, so it does not require new rollouts or reward computation at the lookahead points. GXPO takes two fast optimizer steps, measures how the gradients change, predicts a virtual K-step lookahead point, moves the policy partway toward that point, and then applies a corrective update using the true gradient at the new position. When the lookahead signal becomes unstable, GXPO automatically switches back to standard single-pass GRPO. We also give a plain-gradient-descent surrogate analysis that explains when the extrapolation is exact and where its local errors come from. Across Qwen2.5 and Llama math-reasoning experiments, GXPO improves the average sampled pass@1 by +1.65 to +5.00 points over GRPO and by +0.14 to +1.28 points over the strongest SFPO setting, while keeping the active-phase cost fixed at three backward passes. It also achieves up to 4.00x step speedup, 2.33x wall-clock speedup, and 1.33x backward-pass speedup in reaching GRPO's peak accuracy.
Authors: Umme Mahbuba Nabila, Paul Seurin, Linyu Lin, Majdi I. Radaideh
Abstract: Real-time supervisory control of thermal energy distribution systems requires digital twins that are accurate, interpretable, and uncertainty-aware, yet remain data and computationally efficient. High-fidelity simulations alone are costly, while purely data-driven surrogates often lack robustness. To address these challenges, this work proposes an active learning (AL) framework that couples system-level Modelica simulations with four simpler physics-informed and data-driven surrogate modeling approaches: deterministic Sparse Identification of Nonlinear Dynamics with Control (SINDyC), its probabilistic multivariate-Gaussian extension (MvG-SINDyC), feedforward neural network (FNN), and gated recurrent unit (GRU) network. Tailored to each surrogate, model-specific AL query strategies are employed, including Mahalanobis-distance sampling in coefficient space for MvG-SINDyC and error-based sampling in prediction space for SINDyC, FNN, and GRU, allowing the learning process to prioritize dynamically informative trajectories. The proposed approach is demonstrated on the glycol heat exchanger (GHX) subsystem of the Thermal Energy Distribution System (TEDS) at Idaho National Laboratory. Across key GHX outputs--the bypass mass flow rate $\dot{m}_{\mathrm{GHX}}$ and heat transfer rate $Q_{\mathrm{GHX}}$-the AL framework achieves comparable predictive accuracy using as few as one-fifth of the simulation trajectories required by random sampling. Among the evaluated surrogates, the GRU achieves the highest predictive fidelity, while SINDyC remains the most computationally efficient and interpretable. The probabilistic MvG-SINDyC surrogate further enables uncertainty quantification and exhibits the largest computational gains under AL.
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: Florin Gogianu, Adrian Catalin Lutu, Razvan Pascanu
Abstract: Learning from a sequence of interactions, as soon as observations are perceived and acted upon, without explicitly storing them, holds the promise of simpler, more efficient and adaptive algorithms. For over a decade, however, deep reinforcement learning walked the contrary path, augmenting agents with replay buffers or parallel sampling routines, in an effort to tame learning instability. Recently, this topic has been revisited by Elsayed et al. (2024), focusing on update computation through eligibility traces and modifications to the optimisation routine, resulting in the StreamQ algorithm. In this work we take a step back, investigating the efficacy of established updates, such as those implemented by DQN and C51 within this online setting. Not only do we find that they perform well, but through analysing how the optimisation algorithm generally, and Adam in particular, interacts with these updates, we contend that two properties are essential for robust performance: i) the derivative of the objective is to be bounded and ii) weight updates are variance-adjusted. Rigorous and exhaustive experimentation demonstrates that C51, which exhibits both characteristics, is competitive with StreamQ across a subset of 55 Atari games. Using these insights, we derive a variance-adjusted algorithm based on eligibility traces, termed Adaptive Q$(\lambda)$, which approaches double the human baseline on the same subset, surpassing existing methods by all performance metrics.
Authors: Rachel Ma, Dylan Hadfield-Menell, Kristjan Greenewald
Abstract: Inference-time scaling methods rely on Process Reward Models (PRMs), which are often poorly calibrated and overestimate success probabilities. We propose, to our knowledge, the first use of conditional optimal transport for calibrating PRMs, modifying conditional OT (CondOT) map learning \cite{bunne2022supervised} to estimate a monotonic conditional quantile function over success probabilities estimated by the PRM, conditioned on PRM hidden states. This yields structurally valid quantile estimates and enables efficient extraction of confidence bounds at arbitrary levels, which we integrate into the instance-adaptive scaling (IAS) framework of \cite{park2025know}. We evaluate on mathematical reasoning benchmarks spanning moderate-difficulty problems (MATH-500) and harder out-of-distribution problems (AIME). For PRMs with reliable ranking signals, our method substantially improves calibration over both uncalibrated PRMs and quantile regression. On downstream Best-of-N IAS performance, our method generally improves over uncalibrated PRMs. These results establish conditional optimal transport as another principled and practical approach to PRM calibration, offering structural guarantees and flexible uncertainty estimation.
Authors: Naihe Feng, Yi Sui, Shiyi Hou, Ga Wu, Jesse C. Cresswell
Abstract: When multi-agent systems (MAS) fail, identifying where the decisive error occurred is the first step for automated recovery to an earlier state. Error attribution remains a fundamental challenge due to the long interaction traces that large language model-based MAS generate. This paper presents a framework for error attribution based on conformal prediction (CP) which provides finite-sample, distribution-free coverage guarantees. We introduce new algorithms for filtration-based CP designed for sequential data such as agent trajectories. Unlike existing CP algorithms, our approach predicts sets that are contiguous sequences to enable efficient recovery and debugging. We verify our theoretical guarantees on a variety of agents and datasets, show that errors can be precisely isolated, then use prediction sets to rollback MAS to correct their own errors. Our overall approach is model-agnostic, and offers a principled uncertainty layer for MAS error attribution. We release code at https://github.com/layer6ai-labs/conformal-agent-error-attribution.
URLs: https://github.com/layer6ai-labs/conformal-agent-error-attribution.
Authors: Quentin Berthet, Yu-Han Wu, Clement Crepy, Romuald Elie, Klaus Greff, Michael Eli Sander
Abstract: We propose the Monge Inception Distance (MIND), a metric for evaluating generative models that addresses key limitations of the widely adopted Fr\'echet Inception Distance (FID). The MIND metric leverages the sliced Wasserstein distance to compare distributions by averaging one-dimensional optimal transport distances, efficiently computed via sorting. This approach circumvents the estimation of high-dimensional means and covariance matrices, which underlie FID's poor sample complexity and vulnerability to adversarial attacks. We empirically demonstrate three primary advantages: (i) it is more sample-efficient by one order of magnitude, (ii) it is faster to compute by two orders of magnitude, (iii) it is more robust to adversarial attacks such as moment-matching. We show that MIND with 5k samples can replace the evaluation performance of FID with 50k samples, providing high correlation with this standard benchmark and superior discriminative performance. We further demonstrate that even smaller sample sizes (e.g., 1k or 2k) remain highly informative for rapid model iteration.
Authors: Debolina Halder Lina, Arlei Silva
Abstract: Graph Neural Networks (GNNs) achieve high performance but can be opaque to humans, making it difficult to understand and compare the many proposed architectures. While existing explainability methods attribute individual predictions to nodes, edges, or features, they do not provide architectural transparency or explain the fundamental performance gap between simple and more complex models. To address this limitation, we introduce Model-to-Data (M2D) distillation, a new framework that increases transparency by transferring model complexity into the data space. M2D distills the teacher model into an augmented graph with enriched features and structure, enabling a simple student to match the teacher's performance. By materializing model behavior in the data, our approach allows humans to inspect architectural advantages directly. We show that M2D reveals underlying mechanisms such as fairness objectives and attention-based aggregation in an interpretable way, enhancing GNN transparency while preserving performance.
Authors: Ilan Doron-Arad, Idan Mehalel, Elchanan Mossel
Abstract: Autoregressive generation lies at the heart of the mechanism of large language models. It can be viewed as the repeated application of a next-token generator: starting from an input string (prompt), the generator is applied for $M$ steps, and the last generated token is taken as the final output. [Joshi et al., 2025] proposed a PAC model for studying the learnability of the input-output maps arising from this process. We develop an online analogue of this framework, focusing on the mistake bound of learning the final output induced by an unknown next-token generator. We distinguish between two forms of feedback. In the End-to-End model, after each round the learner observes only the final token produced after $M$ autoregressive steps. In the Chain-of-Thought model, the learner is additionally shown the entire $M$-step trajectory. Our goal is to understand how the optimal mistake bound depends on the generation horizon $M$, and to what extent observing intermediate tokens can reduce this dependence. Our main results show that the online theory of autoregressive learning exhibits a qualitative picture analogous to the statistical one found by [Hanneke et al., 2026], but with a different scale of dependence on the generation horizon. In the End-to-End model, we prove a taxonomy of possible mistake-bound growth rates in the generation horizon $M$: essentially any rate between constant and logarithmic can arise. We further show that this logarithmic ceiling is unavoidable. In the Chain-of-Thought model, we show that access to the full generated trajectory eliminates the dependence on $M$ altogether. We also analyze autoregressive linear threshold classes, and prove optimal mistake bounds, as well as a new lower bound for the statistical setting. Along the way, our results resolve several questions left open by [Joshi et al., 2025].
Authors: Eric Regis, Sinho Chewi
Abstract: Cohen et al. (arXiv:2207.14484) observed that adaptive gradient methods such as Adam operate at the edge of stability. While there has been significant work on continuous-time modeling of gradient descent at the edge of stability, extending these models to momentum methods remains underdeveloped. In the gradient descent setting, Regis et al. (arXiv:2602.01480) introduced rod flow, which models consecutive iterates as an extended one-dimensional object -- a "rod." Here we extend rod flow to Adam by working in the joint phase space of parameters and first moment $(w, m)$ and treating the second moment $\nu$ as a smooth auxiliary variable. We also develop rod flows for heavy ball momentum, Nesterov momentum, and scalar and per-component versions of RMSProp, Adam, and NAdam. For all eight optimizers, we empirically evaluate rod flow on representative machine learning architectures, where it tracks the discrete iterates through the edge-of-stability regime significantly more accurately than the corresponding stable flow.
Authors: Xiwen Chen, Wenhui Zhu, Songzhu Zheng, Kashif Rasul, Yueyue Deng, Huayu Li
Abstract: Large language models (LLMs) are increasingly deployed for autonomous financial trading, a domain requiring continuous adaptation to noisy, non-stationary markets. Existing self-improving agents typically address this through unbounded free-form prompt optimization. However, in low signal-to-noise environments with delayed scalar rewards (P\&L), this unstructured approach exacerbates the fundamental credit assignment problem: optimizers cannot reliably distinguish systematic logic flaws from stochastic market variance, inevitably leading to policy drift. To overcome this bottleneck, we introduce the Self-Evolving Human-Auditable Rubric Policy (SHARP), a neuro-symbolic framework that replaces unconstrained text mutation with structured, symbolic policy optimization. SHARP confines the agent's reasoning to a bounded, human-readable rubric of explicit condition-action rules. When sub-optimal trades occur, an attribution agent employs cross-sample reasoning across multiple samples to isolate specific rule failures. This enables targeted, atomic policy edits that are subsequently regularized through strict walk-forward validation. Evaluated across three diverse equity sectors and four LLM backbones, SHARP consistently transforms generic initial heuristics into highly robust strategies, lifting the empirical performance of compact models by 10 to 20 percentage points on average (e.g., GPT-4o-mini). Ultimately, SHARP demonstrates that LLMs can achieve dynamic and efficient adaptation while significantly enhancing the structural transparency and auditability demanded by institutional finance.
Authors: Aditya Ranganath, Mukesh Singhal
Abstract: We survey continuous-time generative modeling methods based on transporting a simple reference distribution to a data distribution via stochastic or deterministic dynamics. We present a unified framework in which diffusion models, score-based generative models, and flow matching are instances of learning a time-dependent vector field that induces a family of marginals $(\rho_t)_{t \in [0,1]}$ governed by continuity and Fokker-Planck equations. Such a unified theory is timely because these methods are converging methodologically, yet fragmented notation and competing derivations continue to obscure their shared structure and the practical tradeoffs governing sampling, stability, and computation. Within this framework, we (i) derive reverse-time sampling for diffusion and score-based models as controlled stochastic dynamics, (ii) show that the probability flow ODE yields identical marginals and connects diffusion to likelihood-based normalizing flows, and (iii) interpret flow matching as direct regression of the velocity field under a chosen interpolation, clarifying when it coincides with or differs from score-based training. We compare objectives, sampling schemes, and discretization errors under unified notation, discuss connections to Schrodinger bridges and entropic optimal transport, and summarize theoretical guarantees and open problems on approximation, stability, and scalability.
Authors: Dan Ofer, Oriel Perets, Michal Linial, Nadav Rappoport
Abstract: Protein language models (pLMs) produce per-residue representations that capture evolutionary and structural information, yet their mean-pooled sequence embeddings are not explicitly trained to reflect functional, evolutionary or structural similarity between proteins. We present Protein Sentence Transformers (ProtSent), a contrastive fine-tuning framework for adapting PLMs into general-purpose embedding models. ProtSent trains with MultipleNegativesRankingLoss across five protein-pair datasets: Pfam families, structurally derived hard negatives, AlphaFold DB structural pairs, and StringDB protein--protein interactions, and Deep Mutational Scanning data. We evaluate on 23~downstream tasks using frozen embeddings with a k-nearest-neighbor probe to measure embedding neighborhood quality. On ESM-2 150M, ProtSent improves 15 of 23 tasks, with gains of +105% on remote homology detection, +17% on variant effect prediction, and +19.9% Recall@1 on SCOPe-40 structural retrieval. The 35M variant improves 16 of 23 tasks with +40.5% on remote homology and +15.5% Recall@1 on SCOPe-40. Contrastive fine-tuning restructures the embedding space to better capture protein function and structure, without any task-specific supervision. We release the models, public data, and training recipe and code.
Authors: Muhammad H. Ashiq, Samanyu Arora, Abhinav N. Harish, Ishaan Kharbanda, Hung Yun Tseng, Grigorios G. Chrysos
Abstract: We theoretically study the hallucination phenomena in two canonical diffusion samplers: the stochastic Denoising Diffusion Probabilistic Model (DDPM) and the deterministic Denoising Diffusion Implicit Model (DDIM). We analyze the reverse ODE (DDIM) and SDE (DDPM) for a Gaussian mixture target, proving that after a critical time $\tau$, (a) DDIM can become stuck on the segment connecting the two nearest modes and (b) DDPM *stochasticity* helps it become unstuck from this region, thus avoiding hallucination. Our empirical validation verifies that DDPM has a significantly lower hallucination rate than DDIM when this region is entered. Building on our observations, we exhibit how using additional stochastic steps can help DDIM avoid hallucinations and offer new insights on how to design improved samplers.
Authors: Patrick Elisii, Lucas Beauchemin, Dawer Jamshed
Abstract: Continual learning research attempts to conserve two fundamental capabilities: new knowledge acquisition and the preservation of previously acquired knowledge. While knowledge in this case can be measured through performance over an implicit or explicit task space, model plasticity generally concerns adaptability as data distributions evolve. Though much of the literature has focused on catastrophic forgetting, deep networks can also suffer from loss of plasticity, becoming progressively harder to update under continued training. Recent research has identified multiple mechanisms underlying this phenomenon, including neuron saturation, parameter norm growth, and loss of useful curvature directions. Adaptive reset-based interventions, which selectively reinitialize low-utility network parameters, have emerged as practical solutions to restore trainability. Existing utility measures used to guide resets, such as activation magnitude, contribution utility, or gradient-based activity, rely on proxy signals that can become misaligned with the intervention they are meant to guide. In this paper, we introduce gradient times difference from reference (GXD), a theoretically motivated utility measure based on reference-based gradient attribution that estimates the first-order functional cost of replacing a unit. Our results show that utility measures aligned with the functional cost of the reset can make interventions more reliable in settings where existing reset criteria degrade. GXD reframes adaptive resetting as an intervention cost estimation problem, providing a practical path toward more robust continual learning systems.
Authors: Masoumeh Shafieinejad, D. B. Emerson, Behnoosh Zamanlooy, Elaheh Bassak, Fatemeh Tavakoli, Sara Kodeiri, Marcelo Lotif, Xi He
Abstract: Tabular data plays an important role in many fields and industries, including those with elevated privacy considerations and risks. As such, there is a rising interest in generating high-quality synthetic proxies for real tabular data as a means of reducing privacy risk and proprietary data exposure. With tabular diffusion models (TDMs) demonstrating leading performance in synthesizing such data, understanding and measuring the privacy risks associated with these models is imperative. Leveraging state-of-the-art membership inference attacks for TDMs in both black- and white-box settings, this work quantifies the impact of training setup, synthesis choices, and attacker knowledge on privacy leakage. Moreover, the results demonstrate that adversaries need not have perfect knowledge of the training setup, identical data distributions, or massive compute resources to construct successful attacks. Finally, the pitfalls associated with applying heuristic privacy metrics, such as distance-to-closest record, are revealed.
Authors: Rui Zhu, Weiheng Bai, Qiushi Wu, Yang Ren, Haixu Tang, Yuchu Liu
Abstract: Reinforcement Learning (RL) has emerged as a crucial paradigm for unlocking the advanced reasoning capabilities of Large Language Models (LLMs), encompassing frameworks like RLHF and RLAIF. Regardless of the specific optimization algorithm (e.g., PPO, GRPO, or Online DPO), online RL inherently requires an exploratory trajectory generation (rollout) phase. However, for long-context reasoning tasks, this rollout phase imposes a severe ``memory wall'' due to the exorbitant Key-Value (KV) cache footprint. While applying KV cache compression during rollouts mitigates this memory overhead, it induces a critical off-policy bias. Although modern KV compression is often nearly lossless during standard inference, even minuscule approximation errors are drastically amplified by the inherent instability of RL optimization. Specifically, the sampler generates responses under a sparse context, whereas the learner updates parameters using the full, dense context. Existing statistical solutions, such as importance reweighting, struggle to correct this magnified bias, suffering from high gradient variance and severe sample inefficiency.
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: James Rowbottom, Nick Huang, Carola-Bibiane Sch\"onlieb, Ben Adcock
Abstract: State estimation is a critical task in scientific, engineering and control applications. Since the reliability of reconstructions depends on the number and position of sensors, optimal sensor placement (OSP) is essential in scenarios where measurements are sparse and expensive. Classical OSP approaches rely on Gaussian assumptions and are consequently unable to account for the complex distributions encountered in many real-world systems. Generative-model-based reconstruction using sensor guided diffusion posterior sampling (DPS) has emerged as a promising technique for reconstructing states from highly complex distributions. However, existing sensor-selection methods either require unrealistically many sensors or emulate classical OSP, creating a mismatch between modern recovery models with classical OSP tools motivating the need for fundamentally new ideas towards OSP that match the recent advances made in powerful recovery models. We introduce a distribution-free sensor placement framework based on the Christoffel function: a mathematical formulation of optimal sampling and recovery guarantees for posterior sampling with arbitrary sensors and signal distributions, from which we derive a new OSP strategy with non-asymptotic bounds on the number of sensors needed for recovery. We develop Christoffel-DPS, with offline and online variants, instantiating Christoffel sampling for generative models. Christoffel-DPS outperforms Gaussian OSP baselines and existing generative-model placement methods, validating that distribution-free sensing is both theoretically principled and practically superior. The framework is model-agnostic; we demonstrate its application to a range of unconditional DPS and flow-matching models on structurally non-Gaussian benchmarks, showing the efficacy of Christoffel-DPS in low sensor budget regimes.
Authors: John Wang, Mengfan Xu
Abstract: We study multi-objective multi-agent multi-armed bandits (MO-MA-MAB) under stochastic rewards, where agents observe heterogeneous reward vectors and communicate over time-varying graphs. We formulate this emerging problem setting to address \emph{efficient learning}, measured by Pareto regret, and incorporate \emph{fair learning} as an additional goal, captured via social welfare. To measure efficiency, we formulate Pareto regret and develop \textsc{Pareto UCB1 Gossip}, whose novel exploration radius explicitly separates statistical uncertainty in Pareto-based inference from consensus error. To express the fairness constraint, we formulate a Nash Social Welfare objective over preference-scalarized rewards and propose \textsc{Simulated NSW UCB Gossip}, which integrates preference-based reward simulation, gossip-based utility estimation, and UCB-style exploration. We prove that \textsc{Pareto UCB1 Gossip} achieves \(\mathcal{O}(\log T)\) regret and an instance-independent rate of \(\mathcal{O}(\sqrt{T})\), while \textsc{Simulated NSW UCB Gossip} achieves an instance-independent regret bound of \(\mathcal{O}(T^{3/4})\). This separation reveals the cost of imposing the fairness constraint to our efficiency objective: fairness limits information aggregation and slows convergence. Experiments show that our methods consistently outperform baselines, improving performance by approximately \(100\%\) and \(50\%\) in the efficiency and fairness settings, respectively.
Authors: Pengrun Huang, Kamalika Chaudhuri, Yu-Xiang Wang
Abstract: Large language models (LLMs) are pre-trained and post-trained on vast amounts of loosely curated data, raising the possibility that these models may have been trained on proprietary datasets or the same benchmarks used for evaluation. This motivates the need for dataset watermarking: designing datasets such that training on them leaves detectable signatures in the resulting model. Prior work has explored this problem for open models. We introduce the first dataset watermarking method for closed LLMs with provable detection. In particular, we embed a dataset-level watermark signal by increasing the co-occurrence frequency of randomly selected word pairs through rephrasing, and detect it using a statistical test on co-occurrence patterns in model-generated outputs. We evaluate our method with multiple base models and benchmark datasets and show that it reliably detects the watermark ($p <0.01$) in the fine-tuning stage. Notably, our method remains effective in a data mixture setting where the watermarked dataset constitutes only approximately $1\%$ of the total fine-tuning tokens. Furthermore, we show that our method preserves the utility and semantic integrity of the benchmark.
Authors: Ege C. Kaya, Abolfazl Hashemi
Abstract: Recent non-asymptotic analyses have substantially advanced the theory of distributional policy evaluation, but they largely concern synchronous full-state updates under a generative model, model-based estimators, accelerated variants, or different approximation architectures. Standard categorical temporal-difference learning is typically used in a different regime. It asynchronously performs a single-state update at each iteration and, in online settings, is driven by a Markovian trajectory. This leaves an important gap between existing finite-iteration theory and the categorical recursions most closely aligned with practical distributional temporal-difference implementations. We bridge this gap for two categorical policy-evaluation methods: scalar categorical temporal-difference learning in the Cram\'er geometry and multivariate signed-categorical temporal-difference learning in the maximum mean discrepancy geometry. After suitable isometric embeddings, both algorithms take the form of asynchronous single-state stochastic-approximation recursions that contract in a statewise supremum norm. This permits finite-iteration guarantees in discounted problems under both i.i.d. and Markovian state sampling, and in undiscounted fixed-horizon problems under i.i.d. episodic sampling.
Authors: Yi Wang, Chandrajit Bajaj
Abstract: Fixed-budget nonconvex optimization can fail not because local descent is unstable, but because it is too stable: after reaching a nearby stationary point, an optimizer may spend the remaining evaluations refining an uninformative local minimum. We formulate this failure mode as a control problem over optimizer dynamics, where the learner must decide when to descend, when to exploit a promising basin, and when stagnation should trigger movement elsewhere. We introduce SHAPE, a structured adaptive port-Hamiltonian task-family optimizer for event-triggered minima hunting under local information. Starting from gradient-descent dynamics, SHAPE lifts optimization to an augmented phase space $(q, p)$, where the primal state $q$ represents the candidate solution, the cotangent variable $p$ carries directional sensitivity, and a controller $u$ provides processed information from current gradient oracle. Within each stage, a learned Hamiltonian vector field induces structured local descent; across stages, a fixed event clock in the implementation updates ports and memory when local equilibria are detected, with stage-dependent horizons treated in the analysis as a direct generalization. This design preserves a passivity-compatible structure while allowing the same trained policy to use clean, stochastic, or estimated gradient inputs. Experiments on fixed-budget nonconvex optimization tasks show that SHAPE improves best-so-far performance compared with fixed-policy optimizers. These results suggest that adaptive Hamiltonian energy shaping provides a principled mechanism for balancing descent, exploration, and budget allocation in difficult optimization landscapes.
Authors: Xinyu Zhao, Nikita Karagodin, Hamed Hassani, Sinan Hersek, Paul Pu Liang, Yury Polyanskiy
Abstract: While many approaches to improve VQ-VAE performance focus on codebook size and utilization, the effect of dimensional collapse, where trained VQ-VAE representations live in an extremely low-dimensional subspace (1-2% of full rank), remains unaddressed. We show theoretically and empirically that dimension collapse causes a hard loss lower bound that various codebook improvement techniques fail to surpass. Our analytic framework extends the sequential learning effect of Saxe et al. [2014] by introducing ideas from rate-distortion theory and explains how the latent collapse is caused by the VQ suppressing lower-variance directions. Our theory justifies a simple solution: a "warm-up phase" that trains the model as an (unquantized) autoencoder before introducing VQ. On both synthetic experiments and large-scale image (VQGAN) and audio (WavTokenizer) VQ-VAEs, we show that AE Warm-Up successfully restores representation dimension, leading to lower reconstruction and perceptual loss at the same training budget. Across codebook sizes $K \in$ {$2^{10}, 2^{14}, 2^{16}$}, AE warm-up raises VQGAN codebook effective dimension from 3-5 to 17-19 and reduces rFID by 17-35%; on WavTokenizer at $K \in$ {$2^{13}, 2^{14}$}, it raises codebook dimension from 4 to 17-19 and improves PESQ by 11-14%. We empirically characterize how warm-up duration governs the achievable final loss. In agreement with experiment, our theoretical analysis predicts downstream performance as a function of warm-up length, enabling an adaptive criterion for switching from AE Warm-up to VQ-VAE training.
Authors: David Antrobius, Shangtong Zhang
Abstract: Learning rate is a critical component of reinforcement learning (RL). This work uses global and local clocks to distinguish two types of learning rates. The former is of the standard form $\alpha_t$ that depends only on the time step $t$ (i.e., a global clock). The latter is of the form $\alpha_{\nu(S_t, t)}$, where $\nu(s, t)$ counts the number of visits to state $s$ until time $t$ (i.e., a local clock). In discounted RL, an RL algorithm that is convergent with a local clock is always also convergent with a global clock, and vice versa. We are not aware of any counterexample. The key contribution of this work is to show that this nice correspondence breaks down in average-reward RL. Specifically, we construct a counterexample showing that although differential temporal difference learning is convergent with a local clock, it can diverge with a global clock. This counterexample closes the open problem in Wan et al. [2021], Blaser et al. [2026].
Authors: Giansalvo Cirrincione, Adriano Fagiolini
Abstract: Adaptive control of Euler-Lagrange systems is challenging when friction is governed by a finite-horizon internal state that is not directly observable from joint measurements. In this setting, the measured closed-loop state is no longer Markovian, and standard certainty-equivalence adaptive laws may lose their convergence guarantees. The paper proposes a meta-control architecture in which the gains of a computed-torque controller are generated by a self-attention block processing a short window of recent motion history. The number of attention heads is selected before policy training through a surrogate analysis of the autocovariance of the memory-state gradient along the temporal window. This surrogate is based on a temporal adaptation of an incremental rank-tracking framework previously developed by the authors. The selected head count is then fixed and used as an architectural hyperparameter in a reinforcement-learning stage, where the policy is trained under a shielded admissibility constraint. The approach is tested on a 2-DOF manipulator with nonlinear friction and variable payload. In the short and matched memory regimes, the single-layer attention-only meta-controller outperforms a deeper Transformer baseline, with tracking-error reductions of 12 and 19 percentage points, respectively. The reported effect sizes are large, with d approximately -1.1 and -2.1, and Mann-Whitney p < 0.05 in both cases. In the long memory regime, however, the advantage disappears. Four out of ten training runs show either divergence or payload-invariant policy collapse, revealing a weakness in the static Phase-1 head-count prescription. This motivates moving rank-tracking inside the reinforcement-learning loop, allowing attention heads to be pruned or grown at runtime instead of fixed before training.
Authors: Zhongmou Chao, Poompol Buathong, Ekaterina Selivanovitch, Susan Daniel, Peter I. Frazier
Abstract: Protein sequence data from nature exhibits survivorship bias: we only observe data from those organisms that survive and reproduce, while non-functional protein mutations are eliminated by natural selection. Thus, predicting whether a protein sequence is functional often requires learning from positive examples alone. While positive-unlabeled (PU) learning frameworks offer a generic solution to this problem, existing PU methods ignore the evolutionary processes that shape sequence observability and cause survivorship bias. Consider a sequence that is one mutation away from a commonly-observed protein variant in a well-surveilled organism. If the sequence were functional, it would likely be observed. If it is not observed, this suggests non-functionality. In contrast, sequences that are unlikely to arise through mutation may be missing simply because they never arose. Thus, these two kinds of missing sequences should be treated differently when training models. In this work, we propose Evo-PU, a PU learning framework that uses a scientific understanding of nucleotide mutation to model survivorship bias for well-surveilled single-organism sequence data. On three prediction tasks using single-organism uniform-coverage surveillance data -- predicting results from held-out influenza and respiratory syncytial virus (RSV) mutagenesis studies, and predicting future SARS-CoV-2 variants -- Evo-PU outperforms standard PU learning, one-class classification (OCC), and protein language models (PLMs). On prediction tasks from multi-organism ProteinGym datasets with more heterogeneous surveillance coverage, we identify opportunities to generalize our approach.
Authors: Fred Zhangzhi Peng, Alexis Fox, Anru R. Zhang, Alexander Tong
Abstract: Diffusion language models (DLMs) have recently demonstrated capabilities that complement standard autoregressive (AR) models, particularly in non-sequential generation and bidirectional editing. Although recent work has shown that pretrained autoregressive checkpoints can be converted into diffusion language models, existing recipes primarily transfer parameters through continued denoising training with objective- and attention-level modifications. We instead ask whether the internal representation geometry learned by next-token prediction can be explicitly preserved during AR-to-DLM conversion. We hypothesize that much of the semantic structure learned by AR pretraining can transfer across generation orders, and thus DLM training should be viewed as relearning the decoding path rather than relearning language representations. To investigate this, we introduce REPR-ALIGN, a representation alignment objective that adapts a bidirectional masked diffusion model to reuse representations from a pretrained AR model of identical architecture. Concretely, we align the hidden states of the DLM to the frozen AR model at every layer using cosine similarity, while optimizing the standard masked denoising objective. This simple alignment, with no adapters and no architectural changes beyond the attention mask, yields up to 4x training acceleration in our setting and is particularly effective in low-data regimes. Our results suggest that linguistic representations can transfer across generation order, and that representation alignment provides a simple and effective technique for training diffusion language models. Code is available at https://github.com/pengzhangzhi/Open-dLLM.
Authors: Shane Cairns, Leonardo Enzo Brito da Silva, Sasha Petrenko, Donald C. Wunsch II, Jian Liu
Abstract: Adversarial robustness has been studied extensively for offline deep networks, but less is known about strict single-pass streaming neural learners. This paper studies adversarial robustness in Fuzzy ARTMAP, an Adaptive Resonance Theory architecture based on category competition, complement coding, match tracking, and replay-free prototype updates. We introduce WB-Softmax, a differentiable white-box attack surrogate aligned with ARTMAP's category-competition and map-field prediction mechanism, and formalize a streaming evaluation principle requiring robustness to be assessed on the final deployed model. Across four image benchmarks, WB-Softmax achieves 89-100% attack success on vanilla Fuzzy ARTMAP models. We show that defense rankings can reverse across protocols: offline adversarial training may appear strong under transfer attacks yet collapse under adaptive white-box evaluation, whereas progressive two-stage selective training provides the strongest overall replay-free robustness. We further show that ART's explicit category geometry enables interpretable diagnosis of separation collapse and match-score inversion. These results provide a mechanism-aligned, protocol-aware framework for adversarial robustness in streaming prototype-based learners.
Authors: Eshed Gal, Md Shahriar Rahim Siddiqui, Moshe Eliasof, Eldad Haber
Abstract: Modern generative modeling is dominated by transport from a noise prior to data. We propose an alternative paradigm in which generation is performed by a discrete stochastic dynamics that leaves the data distribution invariant, initialized from data-supported states rather than from noise. The framework can utilize any pretrained flow model. We develop two probability-preserving sampling mechanisms, a corrected Langevin dynamics with a Metropolis adjustment and a predictor-corrector flow, that operate directly on existing checkpoints. We validate the framework on a synthetic Swiss-roll target, ImageNet-256 and Oxford Flowers-102, where our samplers consistently improve over the original generation procedures.
Authors: Shang-Ling Hsu, Mark Tenzer, Cyrus Shahabi, Khurram Shafique
Abstract: Human mobility differs from text and from generic time series in three structural ways: visits are tuple-valued events whose meaning depends on the joint distribution over location, time, and activity; users carry persistent signatures across trajectories; and visits are not independent across users, since co-location at shared places is a primary signal. Existing pre-training recipes for mobility import objectives from language modeling, treating trajectories as sentences and visits as tokens, an analogy that fails against each of the three properties above. These properties define a broader class, multi-entity spatiotemporal event streams (MESES), spanning enterprise authentication logs, electronic health records, and other event-stream domains where entities share infrastructure, schedules, or contexts. We make the properties precise as three axioms that any pre-training framework for MESES should satisfy, and introduce TraXion, whose objectives and architecture are jointly designed to meet them. A single TraXion checkpoint per dataset beats task-specific baselines on every task across six public mobility datasets covering anomaly detection, next-POI recommendation, next-visit prediction, and social-link prediction. The same recipe, applied unchanged to enterprise authentication logs and ICU mortality prediction, matches or exceeds prior work on both, showing that event streams from domains as different as mobility, security, and healthcare can be modeled under a single framework.
Authors: Ziming Li, Jiatan Huang, Xiaoguang Guo, Guilin Wang, Chuxu Zhang
Abstract: Adaptive test-time compute for LLM agents aims to invoke extra computation only when it improves performance. Existing methods typically use confidence-, uncertainty-, or difficulty-based gates, assuming a fixed direction from the gating signal through compute need to the value of computation. This makes gating a utility-calibration problem: gating signals should align with whether extra computation improves the final outcome over the base policy. We show that this alignment is unstable: the same signal predicts rollout benefit in one setting and rollout harm in another, with reversals across environments and backbones even when the task is fixed. Wrong-direction gates can therefore worsen performance by precisely selecting harmful states. This reversal reflects a deeper distinction between compute need and compute suitability: a high uncertainty signal may indicate decision-difficult states where rollouts help compare alternatives, or intervention-unsuitable states where the current context does not support useful rollout-based improvement. Under this two-source model, fixed-direction gates are unreliable across heterogeneous settings. To address this, we propose DIAL (Direction-Informed Adaptive Learning), a sparse gate trained from signal-agnostic counterfactual exploration to learn the utility direction of state features per (environment, backbone). Across six environments and three backbones, DIAL yields a stronger overall success-cost trade-off than fixed-direction baselines.
Authors: Elnaz Bashir, Jiali Wang, Lin Yan
Abstract: Subseasonal-to-seasonal (S2S) temperature forecasts, spanning several weeks to a few months, are critically needed in agriculture practice, energy planning, and extreme-weather induced risk management, yet their reliability varies substantially across seasons and regions. Forecast skill is often attributed primarily to lead time, but this perspective does not fully explain the spatiotemporal patterns of predictability. Here we show that S2S predictability is organized across interacting temporal components, spatial heterogeneity, and large-scale pattern coherence, and that this structure can be explicitly characterized and exploited. We develop a dual-scale learning framework that separates calendar-aligned historical climate context from lead-time matched recent weather evolution, combining them through spatially adaptive fusion to enable stable temperature forecasts across the 30 to 90-day window. The learned fusion weights reveal that the balance between these two temporal scales shifts systematically with season and geography: during winter, interannual context dominates over high latitudes and complex terrain where forecast is the most difficult, while summer predictions reflect a more balanced temporal contribution across the domain. This spatially explicit reorganization of predictability, rather than simple lead-time decay, emerges as the primary determinant of forecast skill within the subseasonal window. Topology-aware structural constraints further improve spatial coherence of predicted temperature fields, stabilizing large-scale pattern organization particularly over complex terrain. These results reframe S2S predictability as a structured, multi-scale phenomenon, providing a more interpretable foundation for improving forecast systems and informing their use in practice.
Authors: Chacha Chen, Matthew J\"orke, Adam Goli\'nski, Masha Fedzechkina, Guillermo Sapiro, Sinead Williamson, Nicholas Foti
Abstract: Modern AI systems are being deployed in complex domains such as medicine, science, and law, where it is important that they not only produce correct answers, but also represent and update uncertain beliefs about the world as new evidence arrives. We introduce the novel technique of studying LLMs as information processing rules and utilize the information processing gap to study the internal (in)consistencies of how LLMs update their probabilistic beliefs from evidence. Our extensive experiments evaluate multiple approaches in which LLMs can incorporate evidence into their beliefs. Some of these approaches produce (nearly) Bayesian updates; others seem to use a learned heuristic. Surprisingly, the non-Bayesian heuristic updates often outperform exact Bayesian computation in terms of downstream task performance -- indicating the LLMs' probabilistic models of the world are misspecified. Lastly, we show how our measure can provide diagnostics to identify issues with LLM-powered inferential systems.
Authors: Fan Xu, Yuan Gao, Kun Wang, Rui Su, Fenghua Ling, Hao Wu, Wanli Ouyang
Abstract: Probabilistic weather forecasting requires not only accurate trajectories, but calibrated distributions over plausible atmospheric futures. Recent data-driven systems have achieved remarkable deterministic skill, and diffusion-based ensemble forecasters have substantially improved sample realism and uncertainty quantification. However, their inference cost scales with forecast horizon, ensemble size, and the number of denoising steps required for each transition, making large operational ensembles expensive. To address this, we present Tyche, a one-step conditional flow model for efficient probabilistic weather forecasting. Tyche models the conditional forecast distribution with a destination-aware average-velocity flow that maps Gaussian noise directly to future weather states in a single function evaluation (1-NFE). To make this one-step transport learnable in high-dimensional geophysical fields, we derive a JVP-regularized rectification objective that enforces temporal self-consistency across source and destination flow timesteps without explicitly forming Jacobians. The transport field is parameterized by an isotropic Swin-style transformer that preserves fine-scale spatial structure while remaining scalable on global grids. To improve ensemble reliability under autoregressive forecasting, we further introduce a rollout-based finetuning stage with curriculum CRPS calibration supervision. Experiments on ERA5 at 1.5$^\circ$ and 6-hour resolution show that our Tyche, using merely a single NFE, matches or exceeds the forecast skill and calibration of state-of-the-art multi-step generative baselines and the operational ECMWF IFS ensemble.
Authors: Eshed Gal, Uri Ascher, Eldad Haber
Abstract: Learning-based approaches to NP-hard problems have shown increasing promise, but their progress is fundamentally constrained by the high cost of generating labeled training data. In domains such as Boolean satisfiability (SAT), standard pipelines rely on solver-in-the-loop labeling, which scales poorly with problem size and limits the amount of usable supervision. This bottleneck hinders the broader goal of leveraging machine learning to capture structure in hard combinatorial problems. In this work, we propose a target-aware, solver-free data generation framework for SAT that produces correctly labeled SAT and UNSAT instances by construction, eliminating the need for expensive solver calls. Our method aligns generated instances with the structural properties of a target benchmark, making synthetic data effective for downstream learning. We further develop a linear-programming-aware graph neural network (LPGNN) architecture that incorporates constraint-violation residuals into message passing, enabling the model to exploit underlying optimization structure. Together, these contributions support a data-centric paradigm for learning on NP-hard problems, where scalable, task-aligned data generation is as critical as model design. Our approach yields orders-of-magnitude speedups in data generation, demonstrating that benchmark-aligned synthetic data can effectively augment solver-labeled datasets for GNN-based SAT prediction.
Authors: Sepideh Avizeh, Tushin Mallick, Alina Oprea, Cristina Nita-Rotaru, Reihaneh Safavi-Naini
Abstract: Our computing ecosystem is being transformed by two emerging paradigms: the increased deployment of agentic AI systems and advancements in quantum computing. With respect to agentic AI systems, one of the most critical problems is creating secure governing architectures that ensure agents follow their owners' communication and interaction policies and can be held accountable for the messages they exchange with other agents. With respect to quantum computing, existing systems must be retrofitted and new cryptographic mechanisms must be designed to ensure long-term security and quantum resistance. In fact, NIST recommends that standard public-key cryptographic algorithms, including RSA, Diffie-Hellman (DH), and elliptic-curve constructions (ECC), be deprecated starting in 2030 and disallowed after 2035. In this paper, we present MAGIQ, a framework for policy definition and enforcement in multi-agent AI systems using novel, highly efficient, quantum-resistant cryptographic protocols with proven security guarantees. MAGIQ (i) allows users to define rich communication and access-control policy budgets for agent-to-agent sessions and tasks, including global budgets for one-to-many agent sessions; (ii) enforces such policies using post-quantum cryptographic primitives; (iii) supports session-based enforcement of policies for agent-to-agent and one-to-many agent sessions; and (iv) provides accountability of agents to their users through message attribution. We formally model and prove the correctness and security of the system using the Universal Composability (UC) framework. We evaluate the computation and communication overhead of our framework and compare it with the state-of-the-art agentic AI framework SAGA. MAGIQ is a first step toward post-quantum-secure solutions for agentic AI systems.
Authors: Giansalvo Cirrincione, Adriano Fagiolini
Abstract: We augment the Slotine--Li adaptive controller for Euler--Lagrange systems with three learned components: a structured-quadratic Lyapunov function \(V_\psi\) whose positive-definiteness follows from a Cholesky parameterization, a residual Soft Actor--Critic policy that adds bounded torque corrections to the analytic baseline, and a physics-informed neural network that estimates unmodeled dynamics. A closed-form safety filter, derived from the single affine constraint \(\dot V_\psi + \alpha V_\psi \le 0\), projects every policy output onto the safe set without requiring an online QP solver. We prove: global feasibility of the filter under a drift-decay condition on the control-degeneracy set; exponential stability under exact shielding, with a robust extension whose margin depends on the PINN approximation error; almost-sure convergence of the three-timescale policy--certificate--multiplier updates to a KKT point; and a PAC generalization bound for the certificate over compacts. On a 2-DOF manipulator with nonlinear friction and variable payload, the learned certificate accounts for most of the empirical gain: tracking error drops by 41\% on nominal friction and 24\% on aggressive friction at the centroid of the training distribution. A 7-DOF scalability study on a Franka Emika Panda confirms clean convergence of the full pipeline at industrial scale, identifies the conditions under which gains over exact model-based baselines should and should not be expected, and documents a warm-start pathology of the learned certificate that has practical implications for deployment.
Authors: Teo Susnjak
Abstract: This methods article presents a reproducible calibration workflow for prompt-based large language models (LLMs) in structured evidence-synthesis tasks. The method separates the rules that define the scientific task from the mutable prompt harness that frames and applies them. It optimises that harness against labelled or reference examples and an explicit task metric, then preserves the calibrated workflow as an inspectable artefact with its specification, metric, settings, and evaluation traces. The example code instantiates the protocol with DSPy and GEPA tools, but the underlying logic can transfer to other prompt-optimisation frameworks that support structured task definitions, metric-guided search, and artefact reuse. Title and abstract screening is the worked validation case because it provides labelled benchmark data and clear evaluation metrics. The demonstrated workflow uses a smaller student LLM for performing the scientific task execution and a larger reflection LLM to steer the prompt optimisation process during calibration. This work shows compilation, artefact round-tripping, and how optimisation budget affects a smaller student model.
Authors: Brian Charles Brown, Robert Bridges, David Grimsman, Mauricio Munoz, Sean Warnick
Abstract: Building on the abstract Generalized Singular Value Decomposition (GSVD) theory of Brown et al. [2025], we prove that most modern neural architectures admit a generalized SVD representation in which they are left-invertible before a final linear layer, with no change in input-output behavior. Furthermore, the left-invertible nonlinear portion of the input-output behavior can be made to be \emph{norm preserving}, meaning that perturbations in the left-invertible ``embedding'' (the activations prior to the final linear layer in this representation) correspond proportionally to changes in the input, i.e., distance in feature space can be calibrated directly to distance in input space. We provide a data-driven algorithm for estimating this representation from trained models and propose a model architecture that naturally facilitates the decomposition. We then provide a proof-of-concept that the learned representation can be used to identify adversarial perturbations to model inputs, and develop the theory necessary for future applications to areas such as model bias and invertibility.
Authors: James Fiedler
Abstract: LLM-as-a-Judge evaluation has become a standard tool for assessing base model performance. However, characterizing performance via the naive estimator, i.e., raw judge outputs, is systematically biased. Recent work has proposed estimators to correct this bias, but their reliability depends critically on judge quality and, for model comparisons, on calibration stability. Sharing calibration across compared models is practically attractive but can introduce severe bias, including cases where the comparison estimate points in the wrong direction with high apparent confidence. We study these failure modes through analytical results, simulations over judge quality ($J$) and cross-model calibration instability ($\Delta J$), and a real-data MMLU-Pro case study with sign reversal. We propose $J$ and $\Delta J$ as diagnostics for when corrected estimates, especially shared-calibration comparisons, are likely unreliable, and provide reporting guidance for LaaJ evaluation.
Authors: Shivaram Subramanian, Zhengliang Xue, Markus Ettl, Yingdong Lu, Jayant Kalagnanam
Abstract: We introduce a causal aware foundation-model framework for real time optimal decision making in discrete choice environments. We propose a constrained triple-head price optimization (C3PO) network to solve a bilevel decision problem in which a service provider selects an optimal assortment while heterogeneous users make personalized acceptance or rejection choices optimizing their own personalized preferences. C3PO integrates imitation learning of prices, multi-task learning of revenue responses, and in context learning of price elasticity to generate pricing recommendations while adhering to business constraints. During inference, frontier model prompting retrieves an enhanced elasticity prior for new products from behavioral economics literature, improving pricing effectiveness. We demonstrate strong in context learning performance using simulated, synthetic, and real-world datasets. C3PO is trained on simulated data generated from multiple classical discrete choice models in economics. The model is trained on data comprising simulated customer segments and counterfactual action and outcome pairs and evaluated on randomly generated choice environments with no access to the underlying preference structure. The trained model consistently improves the pricing KPIs, with gains increasing as customer price sensitivity increases. We also deploy the tuned foundation model for optimal pricing in real-world applications such as healthcare, tender pricing, airline ancillary pricing, and other domains, achieving substantial gains across multiple products, markets, and divisions.
Authors: Steven Song, Sahil Sethi, Brett Beaulieu-Jones, Robert L. Grossman
Abstract: In time-series domains where both predictive performance and interpretability are essential, deep neural networks achieve strong results but provide limited insight into how their predictions are made. Projection-based prototype networks address this limitation by grounding predictions in similarity to representative training examples, enabling case-based explanations and global prototype inspection. However, existing approaches rely on label supervision, tying prototypes to a specific task and requiring large labeled datasets. We introduce ProtoSSL, a novel framework for learning interpretable, projection-based prototypes from unlabeled time-series data and adapting them to downstream tasks. Our key idea is to separate motif discovery from label alignment. ProtoSSL first learns a reusable prototype bank using a self-supervised objective applied directly to prototype activations, and then aligns these prototypes to downstream tasks through an efficient assignment procedure. Across six electrocardiography (ECG) datasets, ProtoSSL improves label efficiency, outperforming supervised prototype baselines in low-data regimes with as few as 256 labeled examples; with fine-tuning, ProtoSSL outperforms supervised prototype baselines at full dataset scale. In a human evaluation study, ProtoSSL produces prototypes and prototype-based explanations that are judged more favorably than those learned with direct label supervision. We further show that the framework extends to audio classification. Thus, ProtoSSL enables both learning generalizable prototypes from unlabeled data before the downstream label space is known, and subsequent assignment of interpretable, projection-grounded prototypes to new time-series tasks.
Authors: Yaxita Amin, Helen Zichen Li, Mengfan Zhang, Samet Ayhan
Abstract: Sequence models face a fundamental tradeoff between memory capacity and computational efficiency. Transformers achieve expressive context modeling at quadratic cost, while linear attention and state-space models run in linear time by compressing context into a fixed-size hidden state, inherently limiting recall. Log-linear attention navigates this tradeoff by organizing memory across a Fenwick tree hierarchy, growing its hidden state logarithmically with sequence length at log-linear compute cost. However, its memory decay parameter {\lambda} is fixed and independent of the input, assigning uniform weights across all hierarchy levels regardless of the content, which introduces unnecessary rigidity. We propose learning {\lambda} directly from the input via a lightweight two-layer MLP, producing per-token, per-level decay that adapts to content rather than position. A softplus activation lets each Fenwick tree level scale independently, avoiding the inter-level competition that softmax introduces. This modification preserves log-linear complexity exactly and adds negligible parameter overhead. We evaluate on associative recall, selective copying, and language modeling, finding that input-dependent decay consistently outperforms the baseline, with the largest gains in long-range memory settings where baseline {\lambda} degrades or collapses entirely.
Authors: Chenhui Xu, Ziyue Bai, Fuxun Yu, Heng Huang, Jinjun Xiong
Abstract: While autoregressive models have advanced 3D generation, creating physically stable brick structures remains a challenge due to the strict requirements of gravity and interconnectivity. Existing approaches rely on external physical simulators during inference to perform rejection sampling and brick-by-brick rollbacks, which severely bottlenecks efficiency. To address this, we propose a reinforcement learning paradigm that shifts physical validity enforcement from test-time correction to training-time policy optimization. By utilizing assembly-level rewards, the model optimizes for collision avoidance, global connectivity, structural interlocking, and shape conformity. This paradigm allows the model to internalize physical priors, enabling the first rollback-free generation of stable brick structures. Experimental results demonstrate that our approach achieves state-of-the-art generation quality while accelerating inference speed by orders of magnitude. Our code and dataset are available at https://github.com/miniHuiHui/STABLE. Our models are available at https://huggingface.co/miniHui/STABLE.
URLs: https://github.com/miniHuiHui/STABLE., https://huggingface.co/miniHui/STABLE.
Authors: Victor Livernoche, Jie Zan, Reihaneh Rabbany
Abstract: Denoising score matching (DSM) provides a way to learn data distributions by training a neural network to recover the score function, defined as the gradient of the log density, from noise-corrupted samples. Once trained, the score magnitude at a test point reflects how consistent that point is with the learned distribution, making it a natural anomaly signal. The key practical challenge is selecting the perturbation scale: too little noise yields unstable score estimates in sparse regions, while too much erases local structure and weakens anomaly sensitivity. This is compounded by the difficulty of hyperparameter tuning when anomalies are unknown and no validation set is available. We introduce kurtosis-based noise scaling (K-DSM), a per-feature scheme that sets noise levels from the shape of each marginal distribution, improving coverage of low-density regions and precision in high-density regions without extra model complexity. Contrary to prior claims that multi-scale or noise-conditioned training is necessary, we find that a carefully trained single-scale model is already a strong anomaly detector. On standard tabular anomaly detection benchmarks, K-DSM achieves state-of-the-art performance in the semi-supervised setting. When combined with a lightweight EMA-teacher filtering rule that removes low-density training points before each gradient step, it also achieves strong performance in the fully unsupervised (contaminated) setting, suggesting that simple, data-adaptive noise scaling enables robust anomaly detection while reducing reliance on hyperparameter tuning.
Authors: Di Wu, Chengshuai Shi, Jing Yang, Cong Shen
Abstract: Reinforcement Learning from Human Feedback (RLHF) has become a cornerstone technique for post-training large language models. While most existing approaches rely on the reverse KL-regularization, recent empirical studies have begun exploring alternative divergences (e.g., forward KL, chi-squared) as regularizers in RLHF. However, a unified theoretical understanding of general $f$-divergence regularization remains under-explored. To fill this gap, this work develops a comprehensive theoretical framework for online RLHF with a general $f$-divergence regularized objective. Rather than treating each possible divergence function individually, we adopt a holistic perspective across the entire function class and propose two algorithms based on distinct sampling principles. The first extends the classical optimism principle with a carefully designed exploration bonus, while the second introduces a new method that exploits the sensitivity of the optimal policy to reward perturbations under $f$-divergence regularization. Theoretical analysis shows that $O(\log T)$ regret and $O(1/T)$ sub-optimality gap are achievable, establishing provable efficiency of both algorithms and, to the best of our knowledge, the first performance bounds for online RLHF under general $f$-divergence regularization.
Authors: Jonathn Chang, Arya Datla, Ziv Goldfeld
Abstract: Causal abstraction offers a principled framework for mechanistic interpretability, aligning a high-level causal model with the low-level computation realized by a neural network through counterfactual intervention analysis. Existing methods such as distributed alignment search (DAS) learn expressive subspace interventions, but the relevant neural site is unknown a priori, so finding a handle requires a computationally burdensome search over candidate sites. We introduce PLOT (Progressive Localization via Optimal Transport), a transport-based framework that localizes causal variables from the output effect geometry of abstract and neural interventions. PLOT fits an optimal transport coupling between abstract variables and candidate neural sites, yielding a global soft correspondence that can be calibrated into intervention handles. In simple settings, a single coupling over individual neurons suffices. In larger models, PLOT is applied progressively, moving from coarse sites such as tokens, timesteps, or layers to finer supports such as coordinate groups or PCA spans, and optionally guiding DAS based on the localized signal. Across experiments of increasing complexity, transport-only PLOT handles are exceedingly fast and competitive on accuracy, while PLOT-guided DAS reaches DAS-level accuracy at a fraction of full DAS runtime, providing an efficient localization engine for causal abstraction research at scale.
Authors: Ahmed K. Kadhim, Lei Jiao, Rishad Shafik, Ole-Christoffer Granmo, Mayur Kishor Shende
Abstract: Embedding models in natural language processing (NLP) increasingly rely on deep architectures such as BERT, while simpler models such as Word2Vec provide efficient representations but limited interpretability. The Tsetlin Machine (TM) offers an alternative logic-based learning paradigm. Omni TM Autoencoder (Omni TM-AE) applies this paradigm to static embedding by exploiting automaton state distributions within a single clause layer, but its training process remains slow. In this work, we propose FastOmniTMAE, a reformulation of Omni TM-AE that replaces sequential training dependencies with a two-stage parallel process: evaluation and update. Using a Single-Run Multi-Environment Benchmark covering classification, similarity, and clustering, FastOmniTMAE achieves up to 5$\times$ faster training in classification while maintaining comparable embedding quality under both Spearman and Kendall similarity measures. To address the limited efficiency of TM training on conventional GPUs, we further implement FastOmniTMAE as a reusable accelerator on SoC-FPGA platforms. The Multi-Hardware Benchmark shows that FastOmniTMAE achieves similarity scores of 0.669 on a resource-constrained FPGA and 0.696 on an UltraScale+ SoC, demonstrating efficient logic-based embedding training with a small hardware footprint.
Authors: Federico Echenique, Alireza Fallah, Baihe Huang, Michael I. Jordan
Abstract: Aligning large language models (LLMs) to human preferences typically relies on aggregating pooled feedback into a single reward model. However, this standard approach assumes that all labelers share the same underlying preferences, ignoring the fact that real-world labelers are highly heterogeneous and usually anonymous. Consequently, relying solely on binary choice data fundamentally distorts the learned policy, making the true population-average preference unidentifiable. To overcome this critical limitation, we demonstrate that augmenting preference datasets with a simple, secondary signal -- the user's response time -- can restore the identifiability of the population's average preference. By modeling each decision as a Drift-Diffusion Model (DDM), we introduce a novel, consistent estimator of heterogeneous preferences that successfully corrects the distortions of standard choice-only labels. We prove that our estimator asymptotically converges to the true average preference even in extreme cases where each anonymous labeler contributes only a single choice. Empirically, across both synthetic and real-world datasets, our method consistently outperforms standard baselines that otherwise fail and plateau at a bias floor. Because response times are essentially free to record and require zero user tracking or identification, our results bring promises and open up new opportunities for future data-collection pipelines to improve the social benefit without requiring user-level identifiers or repeated elicitations.
Authors: Yonatan Slutzky, Yotam Alexander, Tomer Slor, Yoav Nagel, Nadav Cohen
Abstract: AI agents are increasingly deployed in multi-task settings, where the task to perform is specified at test time, and the agent must generalize to unseen tasks. A major concern in such settings is safety: often, an agent must not only execute unseen tasks, but do so while avoiding risks and handling ones that materialize. Empirical evidence suggests that even when the ability to execute generalizes to unseen tasks, the ability to do so safely frequently does not. This paper provides theory and experiments indicating that failures of agentic safety to generalize across tasks are not merely due to limitations of training methods, but reflect an inherent property of safety itself: the relationship between a task and its safe execution is more complex than the relationship between a task and its execution alone. Theoretically, we analyze linear-quadratic control with $H_{\infty}$-robustness, and prove that the mapping from task specification to an optimal controller has higher Lipschitz constant with safety requirements than without, yielding a Lipschitz bound of independent interest. Empirically, we demonstrate our conclusions in simulated quadcopter navigation with a neural network agent and in CRM with an LLM agent. Our findings suggest that current efforts to enhance agentic safety may be insufficient, and point to a need for fundamentally different approaches.
Authors: Anupama Sridhar, Alexander Johansen
Abstract: Long chain-of-thought reasoning and agentic tool-calling produce traces spanning tens of thousands of tokens, yet Transformer KV caches grow linearly with sequence length, creating a memory bottleneck on commodity hardware. State-space models offer constant-memory recurrence but suffer a memory cliff: retrieval accuracy collapses once the gap between a stored fact and its query exceeds the effective horizon of the recurrent state. We introduce Echo, a KV-cache-free associative recall architecture built around Spectral Koopman Attention (SKA); a drop-in replacement for attention layers that augments SSM blocks with a closed-form dynamical operator whose sufficient statistics are accumulated in constant memory with no KV cache. Echo fits a spectral linear system to the key and value history via kernel ridge regression and retrieves through a learned power-iterated filter, all from $O(r^{2})$ streaming state where $r$ is a small projection rank. On the Multi-Query Associative Recall benchmark, a pure Mamba-2 SSM fails to exceed chance accuracy (${\sim}3\%$) across all gap lengths and KV-pair counts, while at the 50M parameter scale SKA-augmented models achieve $100\%$ retrieval accuracy on every configuration tested, including distractor gaps of $4{,}096$ tokens with $32$ KV pairs. Across five additional transfer benchmarks including needle-in-a-haystack, tool-trace, and multi-hop retrieval, SKA consistently outperforms both pure SSM and SSM+Attention hybrids while maintaining constant inference memory. Ablations confirm that the spectral operator, not the prefix masking strategy, drives the retrieval gain.
Authors: Tianxin Zhou, Xiang Li, Haibing Lu
Abstract: Identifying vulnerable transmission lines in power grids before a cascading failure occurs is challenging: existing methods can learn inter-line failure correlations from cascade data, but they are trained and evaluated on a single grid, and transferring the learned knowledge to an unseen grid remains an open problem. We address this by training a single Gated Recurrent Unit (GRU)-gated Graph Attention Network on combined cascading failure data from limited training grids and applying it directly to any unseen grid without retraining. A GRU gate controls what information each node retains or discards at each cascade iteration. Empirical evaluation shows that the model transfers zero-shot to multiple new grids spanning inter-time and inter-domain settings. Using information extracted from the trained model, we consistently identify more vulnerable lines than established structural and electrical baselines.
Authors: Da Long, Lingyi Fu, Diya Michelle Rao, Jasmine Ruales Carrera, Yang Bai, Shandian Zhe
Abstract: Motivational-interviewing-based health coaching is an effective approach for improving mental health and promoting healthy behavior change. However, the scarcity of trained human coaches and the high cost of coaching services make such support inaccessible to many people who could benefit from it. This motivates the development of AI health coaches that can provide scalable and affordable support. Existing methods typically optimize only one side of the interaction: they either train a dialogue agent against a fixed client environment or train a client simulator against a fixed assistant. This one-sided setup can limit exploration of the interaction space and may be inefficient at developing the capabilities required by the target agent and pushing its performance boundaries. In this paper, we propose a dual-agent framework that interactively co-trains both the health coach agent and the client simulator. The coach is optimized with DPO using Pareto-dominant response pairs identified by a multi-dimensional LLM judge. In turn, the client is trained adversarially by reversing these preferences, inducing an implicit adversarial training dynamic. We further show that this co-training process admits a natural stochastic-game interpretation. Extensive experiments demonstrate that our method effectively improves coaching quality across several important dimensions.
Authors: Xinyuan Wei, Zian Li, Shaoheng Yan, Cai Zhou, Muhan Zhang
Abstract: Generating chemically valid 3D molecular conformations is critical for computational drug discovery. Classical diffusion-based models like GeoLDM perform well but require hundreds of steps, making large-scale in silico screening impractical. Recent efforts on few-step molecular generation have accelerated this process to 12-50 steps, but they often largely sacrifice sample stability. In this work, we present FlashMol, an ultra-fast molecule generative model producing high-quality molecular conformations in as few as 4 steps. To achieve this, we adapt distribution matching distillation (DMD) - a reverse KL-divergence minimization objective - to the molecular domain for effective distillation. Considering the local minimization behavior of DMD, we respace the molecule generation timesteps, providing the generator with much better initialization and enables effective distillation. Additionally, to mitigate the mode-seeking behavior of DMD and improve diversity, we further regularize it with a Jensen-Shannon divergence term, which incorporates the mean-seeking behavior of the forward KL divergence. Extensive experiments on QM9 and GEOM-DRUG datasets demonstrate that FlashMol matches and even surpasses the original 1000-step teacher, achieving up to 250$\times$ acceleration in sampling speed while maintaining high molecular quality.
Authors: Haydn Jones, Yimeng Zeng, Alden Rose, Li S. Yifei, Yining Huang, Kaiwen Wu, Jiaming Liang, Maggie Ziyu Huan, Yoseph Barash, Cesar de la Fuente-Nunez, Osbert Bastani, Zachary Ives, Mark Yatskar, Jacob R. Gardner
Abstract: Manually curated biomedical repositories -- spanning bioactivity, genomics, and chemistry -- are expensive to maintain, lag behind primary literature, and discard experimental context, obscuring nuances needed to assess data correctness and coverage. We show that PubMed itself can be autonomously and cost-effectively turned into structured datasets that are larger, more nuanced, and more accurate than the curated databases they replace. We present three coupled contributions: (1) an LLM-based entity-tagging pipeline, grounded in nine biomedical ontologies, that tags 4.5B entities across 19 categories in a 22.5M-paper, 2.5T-token PubMed corpus; (2) hybrid sparse-dense retrieval supporting entity-filtered semantic queries over the tagged corpus; and (3) Starling, a multi-agent deep research system that, given only a natural-language task description, designs precision- and recall-targeted retrieval filters, induces an extraction schema, and emits structured records with nuance-rich fields and supporting passages. Across six tasks -- blood-brain barrier permeability, oral bioavailability, acute toxicity (LD50), gene-disease associations, protein subcellular localization, and chemical reactions -- Starling produces ~6.3M records (91K-3M per task); several are, to our knowledge, the largest public datasets for their property. Frontier-model rejection of our extractions is 0.6-7.7% across tasks, far below error rates we measure on widely used curated counterparts (e.g., 16.5% on BBB_Martins, 7.3% on Bioavailability_Ma). Beyond scale and accuracy, the supporting passages carry nuance tabular databases discard -- e.g., oral bioavailability may depend on fed vs. fasted state. Together, the corpus, retrieval, and agent establish a foundation for AI-driven therapeutic design. Code and datasets: https://github.com/starling-labs/starling.
Authors: Mahdi Erfanian, Nelson Daniel Troncoso, Aashna Garg, Amabel Gale, Xiaoyu Liu, Pareesa Ameneh Golnari, Shengyu Fu
Abstract: Large Language Models for code generation frequently produce hallucinations in Fill-in-the-Middle (FIM) tasks -- plausible but incorrect completions such as invented API methods, invalid parameters, undefined variables, or non-existent imports. These failures pass superficial review yet introduce runtime errors. We introduce Delulu, a verified multi-lingual benchmark of 1,951 FIM samples across 7 languages and 4 hallucination types. Samples are curated through an adversarial pipeline: a frontier LLM generates plausible hallucinations, four diverse judge models evaluate them, embedding-based clustering mines progressively harder examples, self-contained Docker containers verify that golden completions compile while hallucinated variants produce the expected runtime error, and a final human-expert review removes any remaining biased or trivially decidable samples. We evaluate 11 open-weight FIM models from five families spanning 0.5B-32B parameters: a six-point Qwen2.5-Coder scaling slate, plus a cross-family slate (CodeLlama, DeepSeek-Coder-V2, StarCoder2). The strongest model reaches only 84.5% pass@1, no family exceeds 0.77 Edit Similarity, and every family produces hallucination-aligned completions on a non-trivial share of samples, confirming that the difficulty exposed by Delulu is task-intrinsic rather than family-specific. We release the benchmark, containers, and evaluation framework at https://github.com/microsoft/delulu.
Authors: Montaser Mohammedalamen, Kevin Roice, Reginald McLean, Alyssa Lefaivre \v{S}kopac
Abstract: The evolution of generative models from next-token predictors to autonomous engines of complex systems necessitates rigorous safety hardening. Adversarial jailbreaking, the strategic manipulation of models to elicit harmful output, remains a primary threat to safe deployment. While Reinforcement Learning (RL) frames jailbreaking as a multi-step attack through sequential optimization, a mechanistic understanding of why the framework succeeds remains incomplete. To fill this gap, we present the first systematic decomposition of RL jailbreaking. We deconstruct the framework into problem formalization (reward function, action space, episode length), and algorithmic measures (RL algorithm, training data, reward-shaping) to identify the structural determinants of adversarial success. Our results reveal that the RL-jailbreaker successfully compromised all targeted models and safeguards. Through this first-of-its-kind analysis, we demonstrate that environment formalization, specifically dense rewards and extended episode lengths, is the primary driver of jailbreaking success. This work provides a tool for improving RL-jailbreaker efficiency and, ultimately, harden generative models resistant to RL-based attacks.
Authors: Aditya Sai Ellendula, Yi Wang, Chandrajit Bajaj
Abstract: Risk-aware navigation should be selective: a policy should expose evasive degrees of freedom only when the local scene admits a lower-risk feasible maneuver, and suppress them when no safer alternative exists. We show that adding one context-energy term to a port-Hamiltonian navigation policy produces a learned force channel with exactly this falsifiable signature. When the local risk field contains a feasible lower-risk direction, the induced context force activates toward it; when the apparent escape is blocked or not yet available, a route-aware gate suppresses lateral force rather than hallucinating an unsafe maneuver. A CVaR tail-risk objective focuses gradient updates on rare but consequential risk transitions. We validate the selectivity signature across four settings. In the primary delayed-required-escape benchmark, route-aware CVaR reduces premature force activation from 0.950 to 0.180 versus DWA while raising success from 0.480 to 0.810 with zero replans. On real off-road terrain (RELLIS-3D), route-aware enrichment achieves correct activation rate 0.837 and false activation rate 0.114, compared to 0.378/0.752 for scalar risk gradients. On static semantic maps (DFC2018), enrichment reduces catastrophic failure from 0.60 to 0.10 and oscillation by 90.7% while preserving path efficiency. In highway traffic, collisions drop from 100% to 0% when a lane escape is feasible; when no escape exists, the policy suppresses the lateral maneuver. The selectivity property follows from the gradient structure of the context energy rather than from training-time tuning.
Authors: Minghao Yan, Bo Peng, Benjamin Coleman, Ziqi Chen, Zhouhang Xie, Shuo Chen, Zhankui He, Noveen Sachdeva, Weili Wang, Ed H. Chi, Shivaram Venkataraman, Wang-Cheng Kang, Derek Zhiyuan Cheng, Beidou Wang
Abstract: Large language models have become drivers of evolutionary search, but most systems rely on a fixed, prompt-elicited policy to sample next candidates. This limits adaptation in practical engineering and research tasks, where evaluations are expensive, and progress depends on learning task-specific search dynamics. We introduce PACEvolve++, an advisor-model reinforcement learning framework for test-time policy adaptation in evolutionary search agents. PACEvolve++ decouples strategic search decisions from implementation: a trainable advisor generates, assesses, and selects hypotheses, while a stronger frontier model translates selected hypotheses into executable candidates. To train the advisor under non-stationary feedback, we propose a phase-adaptive approach that adapts its optimization strategy to different phases of the evolutionary process. Early in evolution, it uses group-relative feedback to learn broad search preferences; later, as reward gaps compress, it emphasizes best-of-$k$ frontier contribution to support stable refinement. Across expert-parallel load balancing, sequential recommendation, and protein fitness extrapolation, PACEvolve++ outperforms the state-of-the-art evolutionary search framework with frontier models, achieving faster convergence and stabilizing test-time training during evolutionary search.
Authors: Xujun Che, Xiuxia Du, Depeng Xu
Abstract: De novo molecular generation from tandem mass spectra is a challenging inverse problem whose core difficulty lies in the circular dependency between atom-level and bond-level reasoning: determining a bond's type requires knowing its endpoint atoms' chemical environment, yet an atom's environment is in turn defined by its incident bonds. Existing graph diffusion methods process atoms and bonds within a single computation stream, where atom-bond information synchronization can only occur implicitly across layers. We argue that this single-stream paradigm, rather than the choice of any particular aggregation kernel, is a key architectural bottleneck. We propose DualLGD (Dual-stream Line Graph Diffusion), which reformulates molecular graph denoising as the alternating solution of two coupled subproblems: atom-level reasoning and bond-level reasoning, each operating in its own dedicated representation space. The line graph provides a natural mathematical construction for the bond space, in which bond angles, dihedrals, conjugation chains, and rings correspond to local topological motifs between bonds. Incidence-constrained bidirectional cross-attention synchronizes the two streams at every layer, ensuring that each atom attends only to its incident bonds and vice versa, respecting the fundamental chemical principle that an atom's environment is determined by its bonding context. On the NPLIB1 and MassSpecGym benchmarks, DualLGD achieves top-1 accuracy of 34.37\% and 23.89\%, approximately $3\times$ the previous state of the art. Ablation studies confirm the architecture as the primary source of improvement: DualLGD without any pre-training already surpasses the previous best fully pretrained model.
Authors: Yi He, Xingyu Zhou
Abstract: We present the first theoretical guarantees for differentially private online reinforcement learning (RL) with general function approximation, extending beyond prior work restricted to tabular and linear settings. Our approach combines a batched policy update scheme with the exponential mechanism, together with a novel regret analysis. We show that, even under general function approximation, the regret in the model-free setting under differential privacy matches the state of the art for the linear case, scaling as $\widetilde{O}(K^{3/5})$, where $K$ denotes the number of episodes. As an important by-product, we also establish the first regret bound for online RL with batch update that depends on the standard complexity measure of coverability, complementing existing results based on a newly introduced Eluder-Condition class. In addition, we uncover fundamental gaps in recent results for private RL with linear function approximation, thereby clarifying its landscape.
Authors: Jiamin Xu, Jacqueline Maasch, Kyra Gan
Abstract: Online reinforcement learning (RL) relies on the Markov property for guaranteed performance, but real-world applications often lack well-defined states given raw observed variables. While causal RL has attracted growing interest, existing work typically assumes Markovian states are provided and focuses on using causality to accelerate learning, leaving a fundamental gap: \emph{given a longitudinal causal graph over observed variables, how does one construct MDP states that provably satisfy the Markov property?} We address this by providing a procedure that constructs a provably minimal state representation. In deep RL, we observe that the minimal representation alone empirically fails to improve performance, indicating that neural networks cannot directly exploit Markovian minimality. To address this, we propose \textbf{MOSE} (Multi-Order State Exposure), which feeds multi-order historical state constructions into the same $Q$-function. MOSE consistently outperforms both the minimal state construction and single-window policies on common benchmarks and synthetic datasets. Including the minimal representation alongside MOSE can further improve performance. Our results establish a core principle for causal deep RL: minimal sufficiency is not enough, and \emph{controlled redundancy} is necessary to unlock the benefit of causal state information.
Authors: Pingbang Hu, Xueshen Liu, Z. Morley Mao, Jiaqi W. Ma
Abstract: Data selection methods address a critical challenge in LLM post-training: effectively leveraging scarce, high-fidelity target data alongside abundant but imperfectly aligned general training data. In this work, we move beyond the data-selection framing and introduce Dr. Post-Training (Data-Regularized Post-Training), a novel framework that reconceptualizes general training data as a data-induced regularizer that prevents overfitting to the scarce target objective, rather than serving as a pool for selection. Specifically, our framework proposes that at each training step, construct a feasible set of model update directions using the general training data, and project the model update direction specified by the scarce target data onto that feasible set. Standard training and existing data selection methods arise as special cases with different choices of the data-induced regularizer, and these methods correspond to different points on a bias--variance spectrum with different regularization strength. Building on this view, we propose a family of methods offering a richer design space and more flexible bias--variance tradeoffs. For practical LLM-scale use, we introduce careful system optimizations that realize these methods with minimal overhead. Extensive experiments across SFT, RLHF, and RLVR show that our methods consistently outperform state-of-the-art data selection baselines, and system benchmarks confirm their efficiency.
Authors: Haozhou Zhang
Abstract: Muon's matrix-level update couples two distinct effects: spectral control via a polar map, and equivariance under orthogonal changes of multiplicity-space basis (Schur gauge-equivariance). We separate them with PolarAdamW, a controlled hybrid that preserves Muon's polar spectral-norm control but breaks the gauge-equivariance, since AdamW's coordinatewise preconditioner is basis-dependent. Algorithmically, PolarAdamW applies Muon's Newton-Schulz polar map to AdamW's preconditioned direction rather than to raw momentum, at per-iteration wall-time comparable to Muon. We prove that Muon's polar step is Schur gauge-equivariant on multiplicity matrices while AdamW's coordinatewise step is not. On DeiT-Tiny trained from scratch on four independently sampled 100-class subsets of ImageNet-1k, where multiplicity-basis freedom is trivial, PolarAdamW outperforms Muon by +1.93 pp in test accuracy on average and AdamW by +9.5 pp; under the 300-epoch DeiT-style recipe, it remains ahead of Muon by +1.37 pp and AdamW by +5.80 pp on average. On SO(3)-equivariant 3D point-cloud regression, where multiplicity-basis freedom is non-trivial, the ordering reverses: Muon outperforms PolarAdamW at every audited capacity, and the gap widens with capacity. Both matrix-polar optimisers continue to outperform AdamW. This double dissociation separates spectral control from Schur gauge-equivariance: the first composes well with AdamW preconditioning on standard transformers, while the second becomes consequential when multiplicity-basis freedom is structurally non-trivial.
Authors: Andy Dong, Ayfer \"Ozg\"ur
Abstract: Poisson subsampling is the default sampling scheme in differentially private machine learning, largely because its unstructured randomness yields tractable privacy amplification analyses. Yet this same randomness introduces substantial participation variance: each sample appears in very different numbers of training iterations. In this work, we show that this variance is not merely a practical artifact to be tolerated, but a fundamental source of suboptimal privacy amplification. We prove that Balanced Iteration Subsampling (BIS), a structured scheme in which each sample participates in exactly a fixed number of iterations, achieves stronger privacy amplification than Poisson subsampling and is optimal at both extremes of the noise spectrum ($\sigma \to 0$ and $\sigma \to \infty$). Our analysis reveals that the privacy-noise tradeoff is governed not by maximizing randomness, but by eliminating participation variance while preserving uniform marginal participation across iterations. To translate this asymptotic theory into finite-noise guarantees, we introduce a practical near-exact Monte Carlo accountant for BIS, which removes the analytical slack of existing RDP and composition-based PLD analyses. Evaluations across more than 60 practical DP-SGD configurations show that BIS consistently outperforms Poisson subsampling in the low-noise regimes most relevant for high-utility private training, reducing the required noise multiplier by up to $9.6\%$. These results overturn the common intuition that more sampling randomness necessarily yields stronger privacy amplification: in DP-SGD, structured participation can be both more practical and more private. Our implementation is available at https://github.com/dong-xin-ao-andy/bis-mc-accountant.
URLs: https://github.com/dong-xin-ao-andy/bis-mc-accountant.
Authors: Rui Cai, Weijie Jacky Mo, Xiaofei Wen, Qiyao Ma, Wenhui Zhu, Xiwen Chen, Muhao Chen, Zhe Zhao
Abstract: The open-source model ecosystem now contains hundreds of thousands of pretrained models, yet picking the best model for a new dataset is increasingly infeasible: new models and unbenchmarked datasets emerge continuously, leaving practitioners with no prior records on either side. Existing approaches handle only fragments of this in-the-wild setting: AutoML and transferability estimation select models from small predefined pools or require expensive per-model forward passes on the target dataset, while model routing presupposes a given candidate pool. We introduce ModelLens, a unified framework for model recommendation in the wild. Our key insight is that public leaderboard interactions, though scattered and noisy, collectively trace out an implicit atlas of model capabilities across heterogeneous evaluation settings, a signal rich enough to learn from directly. By learning a performance-aware latent space over model--dataset--metric tuples, ModelLens ranks unseen models on unseen datasets without running candidates on the target dataset. On a new benchmark of 1.62M evaluation records spanning 47K models and 9.6K datasets, ModelLens surpasses baselines that either rely on metadata alone or require running each candidate on the target dataset. Its recommended Top-K pools further improve multiple representative routing methods by up to 81% across diverse QA benchmarks. Case studies on recently released benchmarks further confirm generalization to both text and vision-language tasks.
Authors: Zekun Wang, Anant Gupta, Tianyi Zhu, Christopher J. MacLellan
Abstract: Compositional generalization requires models to produce novel configurations from familiar parts. In diffusion models, prior compositional generation methods typically assume that the relevant concepts or conditioning signals are already available. We instead ask whether a pretrained diffusion model can discover query-specific concepts from the time-indexed scores it learns for the noisy marginals $p_t(x_t)$ and compose them at test time. Given a single out-of-distribution query, our method performs gradient ascent on $s_\theta(x_t,t) \approx \nabla_{x_t}\log p_t(x_t)$ at multiple noising timesteps to recover local density modes, maps these modes into clean-space Gaussians, greedily selects relevant prototypes with a submodular likelihood objective, and combines them into a product-of-experts (PoE) teacher model with an analytic score. This teacher model can be sampled directly through classifier-free guidance or used to generate a sample pool for training a new class embedding and low-rank adapter. On held-out composition benchmarks built from ColorMNIST and CelebA, both the analytic PoE sampler and the low-rank adapted model outperform query-only and nearest trained-class baselines. These results suggest that the time-indexed score geometry of the diffusion model contains reusable density-mode concepts that support test-time compositional generation without a predefined concept library.
Authors: Majid Molaei, Gabor Paczolay, Matteo Papini, Alberto Maria Metelli, Marcello Restelli
Abstract: This paper introduces the Active-Importance-Sampling Actor-Critic (AISAC) algorithm, an extension of the Actor-Critic framework for reducing variance in policy gradient estimation. AISAC optimizes the behavior policy to minimize gradient variance while preserving unbiased gradient estimates. Using importance sampling principles, the algorithm adapts the behavior policy toward efficient data collection distributions aligned with target policy gradients. For continuous action spaces, AISAC employs Gaussian behavior policies optimized through cross-entropy minimization. We provide theoretical analysis demonstrating variance reduction and unbiasedness. Experiments on Inverted Pendulum and Half Cheetah tasks show improved learning speed, sample efficiency, and training stability compared to standard Actor-Critic methods. Results indicate that optimizing the behavior policy improves both target policy updates and critic estimation accuracy across different hyperparameter settings. AISAC accelerates convergence and stabilizes reinforcement learning training, making it promising for real-world applications. Future work includes integration with advanced algorithms such as Soft Actor-Critic and TD3 for more complex environments.
Authors: Hayden Helm, Ben Johnson, Carey Priebe
Abstract: Evaluating a new model on an existing benchmark is often necessary to understand its behavior before deployment. For modern evaluation frameworks, generating and evaluating a response for all queries can be prohibitively expensive. In practice, responses from previously-evaluated models are often cached -- creating a potential opportunity to use this additional information to decrease the number of queries required to accurately evaluate a new model. In this paper, we introduce an approach for predicting benchmark performance that leverages cached model responses based on the Data Kernel Perspective Space (DKPS), a method for quantifying the relationship between models in the black-box setting. Theoretically, we show that DKPS-based methods are query-efficient under certain conditions. Empirically, we demonstrate that DKPS-based methods achieve the same mean absolute error as baselines with a substantially decreased query budget. We conclude by proposing an offline method for selecting a set of queries that maximizes the goodness-of-fit on reference models, improving prediction accuracy over random query selection.
Authors: Mohamed Elrefaie, Dule Shu, Matthew Klenk, Faez Ahmed
Abstract: Crash simulation is a cornerstone of modern vehicle development because it reduces the need for costly physical prototypes, accelerates safety-driven design iteration, and increasingly supports virtual testing workflows. At the same time, modeling structural crash mechanics remains exceptionally challenging: the response is governed by nonlinear contact, large deformation, material plasticity, failure, and complex multi-body interactions evolving over space and time on high-resolution finite-element meshes. In this work, we introduce \textsc{CarCrashNet}, a public high-fidelity open-source benchmark for data-driven structural crash simulation. \textsc{CarCrashNet} combines component-scale and full-vehicle simulations in a multi-modal format, including more than 14{,}000 bumper-beam pole-impact simulations with varying geometry, materials, and boundary conditions, together with 825 full-vehicle crash simulations built from three industry-standard vehicle models of increasing structural complexity: Dodge Neon, Toyota Yaris, and Chevrolet Silverado. To establish the reliability of the benchmark, we validate our open-source finite-element workflow based on OpenRadioss against both experimental crash data and the commercial solver Ansys LS-DYNA. We also introduce \textsc{CrashSolver}, a machine-learning model designed for full-vehicle crash prediction from high-resolution finite-element crash data. We further perform extensive benchmarking across the released datasets and evaluate \textsc{CrashSolver} against state-of-the-art geometric deep learning and transformer-based neural solvers. Our results position \textsc{CarCrashNet} as a foundation for reproducible research in structural simulation, crashworthiness modeling, and AI-driven virtual crash testing. The dataset is available at https://github.com/Mohamedelrefaie/CarCrashNet.
Authors: Xinyu Liu, Zixuan Xie, Shangtong Zhang
Abstract: Establishing almost sure convergence rates for stochastic approximation and reinforcement learning under Markovian noise is a fundamental theoretical challenge. We make progress towards this challenge for a class of stochastic approximation algorithms whose expected updates are contractive, a setting that arises in many reinforcement learning algorithms such as $Q$-learning and linear temporal difference learning. Specifically, for a power-law learning rate $O(n^{-\eta})$ with $\eta \in (1/2, 1)$, we obtain an almost sure convergence rate arbitrarily close to $o(n^{1 - 2\eta})$. For a harmonic learning rate $O(n^{-1})$, we obtain an almost sure convergence rate arbitrarily close to $o(n^{-1})$, which we argue is a strong result because it is close to the optimal rate $O(n^{-1}\log\log n)$ given by the law of the iterated logarithm (for a special case of i.i.d. noise). Key to our analysis is a novel Lyapunov drift construction that applies a Poisson-equation based correction for Markovian noise to the well-established Moreau-envelope smoothing for the contractive mapping.
Authors: Lucas Monteiro Paes, Natalie Mackraz, Barry-John Theobald, Federico Danieli
Abstract: Language model (LM) alignment improves model outputs to reflect human preferences while preserving the capabilities of the base model. The most common alignment approaches are (i) reinforcement learning, which maximizes the expected reward under a KL-divergence constraint, and (ii) best-of-$N$ alignment, which selects the highest-reward output among $N$ independent samples. Despite their widespread use, the fundamental limits of reward improvement under a KL budget remain poorly understood. We characterize the information-theoretic limits of KL-regularized alignment by deriving the maximum achievable expected reward gain for a fixed KL-divergence budget. Our first result provides a closed-form expression for the optimal reward improvement, governed by a Jeffreys divergence term rather than the $\sqrt{\texttt{KL}}$ used in prior analyses. We further reformulate this expression as a covariance under the base model, yielding a practical estimator that predicts achievable alignment gains from base model samples alone. We extend our analysis to the proxy reward setting, showing that the gap between ideal and proxy alignment (reward hacking) grows with the magnitude of reward error and when the KL penalty factor decreases. We then prove that reward ensembling mitigates reward hacking, providing a theoretical justification for this technique used in practice. Empirically, we compute the KL-reward Pareto frontier for two tasks for LMs, safety and summarization, and show that best-of-$N$ closely approaches the theoretical limit, while PPO and GRPO remain substantially suboptimal. Our theoretical results shed light on several empirically observed phenomena in the alignment literature and suggest that algorithmic improvements are needed to achieve optimal alignment without high inference costs.
Authors: Hao Chen, Chendi Qian, Christopher Morris, Andrea Lodi, Can Li
Abstract: Exact solution of hard combinatorial optimization problems often relies on strong convex relaxations, but solving these relaxations repeatedly inside a branch-and-bound algorithm can be prohibitively expensive. Hence, we consider this challenge for Max-Cut, where branch and bound commonly uses semidefinite programming (SDP) relaxations to bound subproblems. We propose a Max-Cut-specific graph neural network that serves as a principled, lightweight neural proxy for these SDP solvers and can be plugged directly into an exact branch-and-bound framework. The proposed architecture has update steps of complexity $\mathcal{O}(n^2 + ne)$, and predicts both primal- and dual-feasible SDP solutions. The primal SDP solutions yield feasible Max-Cut solutions via the Goemans--Williamson algorithm. In addition, it is trained in a self-supervised fashion without requiring solved SDP relaxations as labels. Empirically, we show that our architecture can substantially reduce the cost of bounding in exact Max-Cut solving by up to $10.6 \times$ compared with using the state-of-the-art SDP solver Mosek. Our work highlights the potential of learned, validity-preserving surrogates for accelerating exact optimization over structured convex relaxations.
Authors: Tao Wang, Shuo Li, Yan Sun, Dongsheng Ding, Edgar Dobriban
Abstract: Reinforcement learning with verifiable rewards (RLVR) has emerged as a central paradigm for improving the reasoning capabilities of large language models. Group-based policy optimization methods, such as GRPO, typically allocate a fixed number of rollouts to every prompt. This uniform allocation can be inefficient: it over-allocates compute to prompts whose sampled groups are already saturated while under-exploring prompts for which additional samples may reveal useful correct trajectories. To address this limitation, we introduce hit utility, the posterior probability that at least one rollout in a proposed additional allocation for a prompt will be correct. Building on this notion, we propose Hit-Utility Optimal Rollout Allocation (HORA), a learning-free rollout allocation policy that maximizes total posterior hit utility within each allocation batch. HORA adaptively reallocates rollout budgets while leaving the downstream reward evaluation and group-based advantage estimator unchanged. Across four mathematical reasoning benchmarks and three model scales, HORA preserves comparable Pass@1 and improves Pass@K over compute-matched GRPO in ten of twelve model--benchmark configurations, with one tie and one saturated exception. It is also drop-in compatible with other group-based estimators such as RLOO. Ablation studies indicate that the uniform prior used by HORA is competitive with five prompt-conditioned learned-prior alternatives.
Authors: Chengyu Du, Mengfan Xu
Abstract: Stochastic bandit algorithms are usually analyzed under a mean-reward criterion, yet many problems favor arms with strong upper-tail performance, which we study herein. For a fixed miscoverage level \(\alpha\), the natural upper-tail target of arm \(j\) is the upper endpoint \(F_j^{-1}(1-\alpha/2)\) of a central prediction interval. This target can rank arms differently from their means, creating a central mismatch with the classical bandit objective. To this end, we propose ACP-UCB1, a conformal-style policy that combines an adaptive conformal estimate of the upper endpoint with a UCB-type optimism bonus. The technical challenge is that the conformity scores used by ACP-UCB1 are recomputed from evolving empirical quantile estimates and evaluated at an adaptive level. We control this endpoint through reward-quantile concentration, a perturbation argument for recomputed score quantiles, and deterministic localization of the adaptive level. ACP-UCB1 achieves logarithmic upper-quantile regret with per-arm contribution \(O(\nicefrac{\log n}{\Delta_j^{\mathrm{ACP}}})\). We also provide metric-specific regret decompositions comparing ACP-UCB1 with UCB1 and use numerical experiments to validate performance and improvement.
Authors: Minseok Kim, Yeongjong Kim, Namkyeong Cho, Yeoneung Kim
Abstract: Physics-informed neural solvers offer a promising route to model-based reinforcement learning in continuous time, where optimal feedback synthesis is governed by Hamilton--Jacobi--Bellman (HJB) equations. Practical implementations often occupy a regime that is neither a classical grid method nor a continuous-PDE PINN: the value function is represented by a neural network, finite-difference HJB policy-evaluation operators are evaluated by network queries at shifted points, and residuals are minimized by random continuous collocation. This regime preserves the stabilized finite-difference policy-evaluation structure while avoiding grid-based value unknowns. We develop an error theory for this hybrid regime. Interpreting finite differences as shift operators acting on neural networks, we prove a population $L^2$ stability estimate for one policy-evaluation step with learned dynamics. The bound separates residual error, initial and exterior-collar mismatch, policy mismatch, and model-identification error, with an explicit gradient amplification factor for learned dynamics, while the underlying linear evaluation stability remains free of hidden inverse-viscosity blow-up. We further give a finite-sample collocation certificate and a conditional multi-step propagation result through greedy policy improvement. Experiments on compact-control LQR upto 64 dimensions, Allen--Cahn control, pendulum, Hopper, and 3D quadrotor benchmarks compare against representative model-based and model-free RL baselines, demonstrating the predicted residual, policy-mismatch, and learned-model error trends.
Authors: Wenjie Guan, Jelena Bradic
Abstract: Template tasks have emerged as a clean testbed for asking whether transformers reason with abstract symbols rather than concrete token names. We study the fixed-label classification version of this problem, where train and test examples share latent templates but may use disjoint vocabularies. Unlike next-token prediction, the model need not emit unseen symbols; it must learn a decision rule invariant to symbol renaming. We analyze regularized kernel logistic classification in the transformer-kernel regime. Our main result decomposes the learned predictor into an ideal template-level classifier and a finite-sample perturbation caused by accidental token overlaps in the training data. We encode these overlaps by a colored collision graph and prove high-probability margin-transfer guarantees for fresh-symbol classification. This perspective extends template-based analyses to logistic classification and refines scalar diversity conditions: vocabulary size controls the average rate of collisions, but collision geometry controls whether the ideal classification margin is preserved. More broadly, the same perturbation framework applies to abstraction-augmented inputs, yielding a general margin-versus-collision criterion for identifying when prompting strategies improve fresh-symbol generalization. Synthetic template experiments illustrate the predicted roles of regularization, sample size, and transformer-kernel structure.
Authors: Zixuan Xie, Xinyu Liu, Rohan Chandra, Shangtong Zhang
Abstract: In-context reinforcement learning (ICRL) refers to the ability of RL agents to adapt to new tasks at inference time without parameter updates by conditioning on additional context. Recent empirical studies further demonstrate that Chain-of-Thought (CoT) generation can amplify this ICRL capability. This paper is the first to provide a theoretical understanding on how CoT interacts with ICRL. We conduct our analysis in a policy evaluation setup with linear Transformer. We prove that with specific Transformer parameters, the CoT generation process is equivalent to repeatedly executing temporal difference learning updates. Additionally, we provide finite sample convergence analysis showing that the policy evaluation error decreases geometrically with CoT length and eventually saturates at a statistical floor determined by the context length. We also prove that the desired Transformer parameters are a global minimizer of the pretraining loss, providing a theoretical understanding on the empirical emergence of those parameters.
Authors: Zhanqi Zhang, Hua-Dong Xiong, Robert C. Wilson, Mikio Aoi, Marcelo G. Mattar, Li Ji-An
Abstract: Modern large language models (LLMs) can find a needle in a haystack (locating a single relevant fact buried among hundreds of thousands of irrelevant tokens) with near-saturated accuracy, yet fail to retrieve the last few items in a short list. We call this failure the Position Curse. For instance, even in a two-line code snippet, Claude Opus 4.6 misidentifies the second-to-last line most of the time. To characterize this failure, we evaluated two complementary queries: given a position in a sequence (of letters or words), retrieve the corresponding item; and given an item, return its position. Each position is specified as a forward or backward offset from an anchor, either an endpoint of the list (its start or end) or another item in the list. Across both open-source and frontier closed-source models, backward retrieval substantially lags forward retrieval. To test whether this capability can be rescued by post-training, we constructed PosBench, a position-focused training dataset. LoRA fine-tuning improves both forward and backward retrieval and generalizes to a held-out code-understanding benchmark (PyIndex), yet absolute performance remains far from saturated. As LLM coding agents increasingly operate over large codebases where precise indexing becomes essential for code understanding and editing, position-based retrieval emerges as a key capability for future pretraining objectives and model design.
Authors: Tianle Jiang, Yufa Zhou
Abstract: Being robust to the presence of outliers is crucial for applying clustering algorithms in practice. In the $\textit{robust $k$-Means}$ problem (i.e., $k$-Means with outliers), the goal is to remove $z$ outliers and minimize the $k$-Means cost on the remaining points. Despite the close connection between robust $k$-Means and outlier detection, both theoretical and empirical understanding of the effectiveness of $\textit{classic outlier detection heuristics}$ for robust $k$-Means remains limited. In this paper, we prove that under a practical assumption on the optimal cluster sizes, simply removing points with large $K$-Nearest-Neighbor distances achieves performance comparable to prior work in terms of approximation guarantees: it yields a constant-factor reduction from robust $k$-Means to standard $k$-Means, without introducing additional centers or discarding extra outliers, as is commonly required by existing approaches. Empirically, experiments on real-world datasets show that our method outperforms or matches several more sophisticated algorithms in terms of clustering cost and runtime. These results demonstrate that simple KNN-based heuristics can be surprisingly effective for robust clustering, highlighting new opportunities to bridge techniques from outlier detection and clustering.
Authors: Jingjing Zhou, Shiyu Huang, Qing Qing, Zuquan Yuan, Huafei Huang, Ziqi Xu, Mingliang Hou, Xikun Zhang, Renqiang Luo, Ivan Lee
Abstract: Graph Anomaly Detection (GAD) is a critical task in graph machine learning with vital applications in financial fraud detection and social platform governance. However, existing GAD benchmarks are often restricted to small-scale, curated graphs with relatively balanced anomaly ratios, leaving a substantial gap between academic evaluation and real-world deployment. To bridge this gap, we present a multi-dimensional benchmark that systematically evaluates GAD models under three deployment-relevant challenges: million-scale graphs, extreme anomaly scarcity, and missing node attributes. We derive a family of controlled benchmark variants from five diverse graphs, including two native industrial-scale datasets with over 3.7 million nodes. Our extensive evaluation of nine representative GAD models reveals three major limitations: (1) most GNN-based methods fail to scale to million-node graphs due to prohibitive memory requirements; (2) detection performance drops sharply under realistic anomaly ratios (e.g., 0.1\%), often resulting in zero recall; and (3) reconstruction-based models are highly sensitive to attribute imputation strategies. Our findings suggest that strong performance in laboratory settings does not guarantee robustness in production environments. We release this benchmark and empirical evaluation as a diagnostic testbed to promote the development of robust and scalable GAD systems for large-scale, imperfect graphs encountered in practice. Code is available at https://anonymous.4open.science/r/Benchmark_GAD-E7A3.
Authors: Yash Ingle, Jaival Chauhan, Ankit Yadav, Sudhakar Mishra
Abstract: Reinforcement learning with verifiable rewards (RLVR) has become a highly effective method for improving the reasoning abilities of Large Language Models (LLMs). Recent research shows that Negative Sample Reinforcement (NSR) -- which focuses on penalizing incorrect steps rather than simply rewarding correct ones -- can match or even exceed the performance of more complex frameworks like PPO and GRPO across the entire Pass@k spectrum. However, current NSR techniques usually apply a fixed penalty throughout the training process and treat every incorrect response with the same weight. To address these limitations, we propose two extensions to the NSR framework: Adaptive Negative Sample Reinforcement. Rather than using a fixed update rule, A-NSR uses time-dependent scheduling functions. In the initial training phases, the system focuses heavily on correcting errors to stabilize the model. As training continues, it shifts toward more subtle and controlled updates. We also introduce Confidence-Weighted Negative Reinforcement, which operates on the principle that different mistakes carry different levels of importance. CW-NSR assigns specific penalty weights based on the model's normalized sequence likelihood. If the model is highly confident in a wrong path, it receives a larger penalty and for uncertain errors -- where the model is effectively exploring -- are penalized less strictly. Our formal analysis shows how these mechanisms govern token-level updates, allowing the model to leverage prior-guided probability redistribution while providing a natural defense against overfitting. We evaluated these methods on difficult reasoning datasets, including MATH, AIME 2025, and AMC23, using the Qwen2.5-Math-1.5B architecture.
Authors: Idan Attias, Steve Hanneke, Arvind Ramaswami
Abstract: Agnostic online learning is classically solved via a reduction to the realizable setting, utilizing Littlestone's Standard Optimal Algorithm (SOA) as a base learner. However, the SOA is computationally intractable to execute even for a single round. To overcome this barrier, recent work in oracle-efficient online learning replaces the SOA with a realizable base learner that accesses the concept class exclusively through an offline empirical risk minimization (ERM) oracle. While such agnostic learners achieve near-optimal expected regret, they suffer from a doubly-exponential oracle complexity of $O\big(T^{2^{O(d_\mathrm{LD})}}\big)$, where $d_\mathrm{LD}$ is the Littlestone dimension and $T$ is the number of rounds. In this work, we significantly improve this oracle complexity while relying on an even weaker primitive: a weak-consistency oracle, which merely decides whether a given labeled dataset is realizable. At the core of our approach is an adaptive and dynamic agnostic-to-realizable reduction that actively prunes non-realizable label sequences on the fly. By using the VC dimension ($d_\mathrm{VC}$) to bound the number of dynamically maintained active paths, our algorithm reduces the total query complexity down to $O(T^{d_\mathrm{VC}+1})$ while perfectly preserving near-optimal expected regret. Crucially, this dynamic pruning also yields a memory reduction over the standard reduction. Furthermore, we formally quantify the regret--oracle complexity tradeoff, providing upper bounds that smoothly interpolate between restricted query budgets and attainable expected regret. We complement these with lower bounds proving that any learner restricted to $Q = o(\sqrt{T})$ queries must suffer an expected regret of $\Omega(T/Q)$.
Authors: Lyra Zhornyak, Eric Forgoston, M. Ani Hsieh
Abstract: We present the first method to directly use a learned continuous Lagrangian to forecast the dynamics of systems governed by partial differential equations, exploiting the inherent conservative structure to achieve stable long-range predictions. We develop an optimization-based integrator that minimizes the squared Euler--Lagrange residual via a mesh-free near-symplectic construction on local space-time patches. Different from integrators for analytical models, integrators for learned models should decouple model error (phase error) from integration error (conservation error). By relying on optimization rather than time-stepping, we bypass the global coupling inherent to fixed discretizations, which slows time- and space-stepping and complicates learning. Our method scales linearly with domain size via Jacobi iteration, and places no structural requirements on the learned network, allowing it to be coupled with existing physics-guided machine learning (ML) methods. We validate our approach on a learned representation of a double pendulum, a one-dimensional wave equation, and a two-dimensional wave equation. Our method achieves error comparable to classical symplectic methods while generalizing to spatially varying dynamics and arbitrary boundary conditions without retraining.
Authors: Nikhilesh Prabhakar, Varun Balaji, Athresh Karanam, Kristian Kersting, Sriraam Natarajan
Abstract: Imitation learning is widely used for learning to act in complex environments. While pure neural-based methods handle high dimensional data effectively, they suffer from the requirement of large number of samples and are prone to overfitting. Pure symbolic approaches, while generalize well, do not handle high-dimensional data effectively. We propose a neurosymbolic approach that achieves the best of both worlds, i.e, handling high-dimensional data while achieving generalization. The key advantage of our approach is that it can effectively exploit additional privileged information that is available only during training (in our case, gaze data). Our empirical evaluations demonstrate the effectiveness, efficiency and the generalization capability of our proposed approach.
Authors: Ishank Juneja, Carlee Joe-Wong, Osman Ya\u{g}an
Abstract: The classic multi-armed bandit (MAB) problem tackles the challenge of accruing maximum reward while making decisions under uncertainty. However, in applications, often the goal is to minimize cost subject to a constraint on the minimum permissible reward, an objective captured by multi-armed bandits with cost-subsidy (MAB-CS). Of interest to this paper is the setting where the quality (reward) constraint is specified relative to the unknown best reward and the cost of each arm is known. We characterize the expected sub-optimal samples required by any policy by proving instance-dependent lower bounds that offer new insight into the problem and are a strict generalization of prior bounds. Then, we propose an algorithm called Cost-Ordered Feasibility (COF) that leverages our insight and intelligently combine samples from all arms to gauge the feasibility of a cheap arm. Thereafter, we analyze COF to establish instance-dependent upper bounds on its expected cumulative cost and quality regret, i.e., relative to the cheapest feasible arm. Finally, we empirically validate the merits of COF, comparing it to baselines from the literature through extensive simulation experiments on the MovieLens and Goodreads datasets as well as representative synthetic instances. Not only does our paper develop qualitatively better theoretical regret upper bounds, but COF also convincingly demonstrates improved empirical performance.
Authors: Qing Qing, Xikun Zhang, Zhongyuan Zhang, Jiarui Liu, Xingtong Yu, Xiaotao Shen, Ziqi Xu, Qixin Zhang, Zhe Wang, Renqiang Luo
Abstract: Aging clocks aim to estimate biological age, a measure of physiological state distinct from chronological age, from observable biomarkers, and are widely used for health assessment and disease analysis. DNA methylation is a particularly informative biomarker due to its stability and strong association with aging, and recent learning-based approaches have improved predictive performance. However, most existing methods treat CpG sites as independent features, overlooking the complex and heterogeneous biological relationships among them. We propose RelAge-GNN, a multi-relational graph neural network framework for DNA methylation-based age prediction. Our method constructs three complementary graphs capturing co-methylation patterns, genomic co-localization, and gene-level associations among CpG sites. Each graph is modeled by an independent GNN branch, and a learnable gating mechanism adaptively fuses the resulting representations. Experiments on large-scale datasets show that RelAge-GNN achieves competitive accuracy and stronger correlation with chronological age compared to state-of-the-art methods. Moreover, the model exhibits improved sensitivity in detecting age acceleration across diverse disease cohorts, highlighting its potential utility for disease characterization. Finally, through post hoc interpretability analyses, we quantify the contributions of different relational structures and CpG sites, providing biologically meaningful insights and suggesting potential directions for aging-related research. Our code is available at: https://anonymous.4open.science/r/RelAge-GNN-F1E3/.
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: Ali Taghibakhshi, Ruisi Cai, Saurav Muralidharan, Sharath Turuvekere Sreenivas, Aditya Vavre, Ameya Sunil Mahabaleshwarkar, Bilal Kartal, Sheldon Liang, Marcin Chochowski, Zijia Chen, Akhiad Bercovich, Ran Zilberstein, Ran El-Yaniv, Yonatan Geifman, Daniel Korzekwa, Yoshi Suhara, Oluwatobi Olabiyi, Ashwath Aithal, Nima Tajbakhsh, Pavlo Molchanov
Abstract: Training a family of large language models (LLMs), either from scratch or via iterative compression, is prohibitively expensive and inefficient, requiring separate training runs for each model in the family. In this paper, we introduce Star Elastic, a novel LLM post-training method that adds N nested submodels to a given parent reasoning model using the compute of one run (N-fold savings) via a single post-training job. Beyond reducing training costs, Star Elastic also addresses a fundamental limitation of efficient reasoning: the rigidity of static architectures, which forces the allocation of constant resources regardless of token difficulty. By unlocking elastic budget control, Star Elastic enables a novel inference scheme that uses different submodels for each reasoning phase (thinking and answering). Star Elastic supports (1) nesting along the SSM, embedding channel, MoE, and FFN axes, (2) learning nested submodels via an end-to-end trainable router, and (3) curriculum-based knowledge distillation. Building on the Nemotron Elastic framework, we apply Star Elastic to the NVIDIA Nemotron Nano models, with a particular focus on hybrid Mixture-of-Experts (MoE) architectures: from Nemotron Nano v3 (30B/3.6A), we generate 23B (2.8A) and 12B (2.0A) variants with 160B training tokens. All nested models match or outperform independently trained baselines of comparable size and achieve a 360x reduction versus pretraining from scratch and a 7x reduction over state-of-the-art compression. Crucially, elastic budget control advances the accuracy-latency Pareto frontier, achieving up to 16% higher accuracy and 1.9x lower latency via dynamic per-phase model selection. We further extend Star Elastic to quantized regimes via Quantization-Aware Distillation (QAD), producing nested NVFP4 and FP8 elastic checkpoints that preserve zero-shot slicing while delivering smaller deployment footprints.
Authors: Fred Zhangzhi Peng, Avishek Joey Bose, Anru R. Zhang, Alexander Tong
Abstract: Generative modeling over discrete structures underpins applications across deep learning, from biological sequence design and code generation to large language models, yet generation often remains sequential, relying on autoregressive decoding or iterative refinement. In this work, we introduce Coupling Models(Coupling Models), a one-step discrete generative model that learns a direct coupling between discrete sequences and Gaussian latents. Unlike recent distillation methods that compress a pretrained multi-step sampler into a few steps, Coupling Model trains a purpose-built decoder to invert this coupling and generate samples in a single step. The model also avoids complex continuous flows over the simplex and hand-specified data-to-noise couplings. Empirically,Coupling Model improves the strongest one-step baselines in each domain: it reduces LM1B text-generation perplexity by 33% at its lowest-perplexity operating point, Fly Brain enhancer-design FBD by 18%, and MNIST-Binary FID by 46%. These results suggest that effective one-step discrete generation depends strongly on how data and noise are coupled before decoding. Code is available at https://github.com/pengzhangzhi/Coupling-Models.
Authors: Ryan Thompson, He Zhao, Daniel M. Steinberg, Edwin V. Bonilla
Abstract: We introduce Arrow, a foundation model for zero-shot causal discovery on observational tabular data. Arrow factorizes a directed acyclic graph into an undirected skeleton and a topological order, guaranteeing acyclicity by construction. Given a new dataset, it uses a transformer-based architecture to contextualize variables within and across observations, then predicts skeleton edge probabilities and node order scores that together define a graph. Arrow is trained in a supervised fashion on synthetic datasets with ground-truth graphs, using an end-to-end differentiable directed edge composite likelihood induced by the skeleton-order factorization. The training distribution spans diverse graph families, functional forms, noise models, and dataset shapes. Across in- and out-of-distribution synthetic, semi-synthetic, and real datasets, Arrow matches or outperforms existing causal discovery methods at substantially lower inference cost than competitive alternatives. Our results demonstrate that large-scale pretraining on diverse synthetic data can yield zero-shot causal discovery models that are fast, accurate, and reusable on new datasets.
Authors: Jianrong Ding, Jianyuan Zhong, Zhengyan Shi, Qiang Xu
Abstract: Large Language Models (LLMs) are increasingly used to brainstorm and evaluate research ideas, yet assessing such judgments is fundamentally difficult because the true impact of a new idea may take years to emerge. We address this challenge by using the impact forecasting of human-authored manuscripts as a verifiable proxy task. In a prospective forecasting study, we find that frontier LLMs fail to reliably distinguish high-impact papers from ordinary publications, suggesting that static text-based judging is insufficient for scientific evaluation. To address this limitation, we propose $\textbf{FAME}$ ($\underline{\text{F}}$orecasting $\underline{\text{A}}$cademic Impact via Continuous-Time $\underline{\text{M}}$anifold $\underline{\text{E}}$volution), a spatiotemporal framework for modeling the dynamic trajectories of scientific topics. FAME projects papers into a dynamic latent space informed by textual features and a verified knowledge-flow graph, learning geometric constraints that align impactful manuscripts with the forward momentum of their fields. Experiments on 3,200 arXiv papers across three fast-evolving subfields show that FAME consistently and substantially outperforms state-of-the-art LLM evaluators in prospective multidimensional impact forecasting. Furthermore, integrating FAME's dynamic geometric signals into LLMs significantly improves their forecasting performance. These results support manuscript impact forecasting as a useful, measurable proxy benchmark and position FAME as a strong, trajectory-aware foundation for automated scientific evaluation.
Authors: Jiseok Youn, You Rim Choi, Goodsol Lee, Sangtae Ha, Hyung-Sin Kim, Saewoong Bahk
Abstract: Mobile devices face diverse resource constraints and non-IID data class distributions, requiring fast on-device inference for local in-distribution (ID) classes and on-demand remote support for client-specific out-of-distribution (OOD) classes. Hybrid split federated learning (Hybrid SFL) couples personalized client-side front ends (supporting early exit) with a generalized server-side backend for fallback inference, balancing accuracy and cost. However, under client architectural heterogeneity, the existing hybrid SFL suffers from representation skew, where features from customized extractors fail to align in the shared space, leading to a sharp degradation in the server model responsible for OOD prediction. We propose HARMONY, the first hybrid SFL framework to support heterogeneous client architectures. HARMONY modifies meta-learning to simulate diverse extractors across parameters and architectures, and to learn to personalize. To mitigate representation skew, HARMONY conducts server-side contrastive learning to align extracted features, neither sacrificing clients' personalization nor sharing raw labels. Compared to the state of the art across multiple datasets and model families, HARMONY improves test accuracy by up to 43.0%/28.3% without/with OOD, respectively, while maintaining acceptable latency.
Authors: Dengzhe Hou, Zihao Wu, Lingyu Jiang, Zirui Li, Fangzhou Lin, Kazunori D. Yamada
Abstract: Electroencephalography (EEG) is a cornerstone of brain-computer interfaces and clinical neuroscience, yet deep learning models are typically trained and evaluated under a single, unreported preprocessing pipeline. We formalize preprocessing choices as a counterfactual intervention space and show that EEG predictions are surprisingly unstable under this space: across six datasets spanning four paradigms, up to 42% of trial-level predictions flip when only the preprocessing changes, a variability that standard uncertainty methods do not explicitly quantify because they condition on a fixed preprocessing pipeline. We provide three tools to make this instability measurable, decomposable, and reducible. First, a Walsh-Hadamard decomposition of the 2^7 pipeline space reveals that sensitivity is near-additive in practice under the binary intervention design, enabling efficient step-by-step optimization. Second, we introduce Preprocessing Uncertainty (PU), a per-trial diagnostic that captures a dimension of instability complementary to model-based confidence. Third, we study Normalized Adaptive PGI (NA-PGI), a graph-structured regularizer that exploits the compositional structure of preprocessing interventions as one mitigation strategy with clear scope conditions.
Authors: Kun Long, Yuqiang Li, Xianyi Wu
Abstract: For continuous state-action space scenarios, classical reinforcement learning (RL) theory predominantly focuses on low-rank Markov decision processes (MDPs), which provide sample-efficient guarantees at the expense of restrictive structural assumptions. Kernel smoothing model-based approaches offer a promising alternative paradigm that instead leverages the smoothness of the MDP and employs non-parametric kernel smoothing estimates of transition dynamics. This paper proposes a new kernel-smoothing model-based approach for online reinforcement learning in finite-horizon settings under Lipschitz continuity assumptions on the MDP. By incorporating a Bernstein-style exploration bonus into the kernel smoothing framework, our method achieves a regret bound which improves upon the state-of-the-art regret bound in its dependence on the horizon. The theoretical advancement relies on a delicate analysis of the synergy between Bernstein-style bonuses and kernel smoothing, where a new tight Bernstein-type concentration inequality for martingales may be of independent interest.
Authors: Ruijia Cao, Yuchen Wu, Nisha Chadramoorthy
Abstract: Diffusion guidance is a powerful technique that enables controllable and high-fidelity sample generation with diffusion models. At a high level, it modifies the score function by incorporating a guidance term that steers the generative process toward a desired condition. Despite its empirical success, the theoretical properties of diffusion guidance remain largely unexplored, and it is not well understood why it consistently produces high-quality samples. In this work, we explain the effectiveness of diffusion guidance by establishing a \emph{robustness of support} property. Specifically, we show that, given exact access to the score functions, guided diffusion processes almost always generate samples that remain close to the target support. This property is particularly desirable, as samples that lie off the support are often structurally implausible and may adversely affect downstream tasks. Our analysis covers both Denoising Diffusion Implicit Models (DDIM) and Denoising Diffusion Probabilistic Models (DDPM), and applies to a wide range of discretization schemes induced by exponential integrators. Our results provide a rigorous foundation for understanding why diffusion guidance produces physically meaningful and structurally plausible samples.
Authors: Takato Honda
Abstract: How few parameters do we really need to forecast a periodic time series? An hourly electricity series, reshaped as a 24-row matrix with one column per day, is approximately rank-1: a daily shape modulated by a daily level (median centered rank-1 energy 0.82 on GIFT-Eval). Should we learn the shape? Smoothing, shrinkage, and low-rank fits all seem like obvious upgrades over the simple average of the last K=2 cycles. On all 97 GIFT-Eval configurations, we tested 8 such alternatives (e.g., Fourier, EWMA, James-Stein, rank-r SVD): none significantly beats the frozen baseline under Holm correction; two are significantly worse. The resulting method, FLAIR, is (a) Effective: matches PatchTST on aggregate GIFT-Eval (relMASE 0.838 vs 0.849); (b) Compact: 28 scalars for hourly, 57 for weekly; (c) Fast: 22 minutes on one CPU core of a MacBook Pro; (d) Closed-form & Hands-Off: one SVD per period candidate, GCV-averaged Ridge, no GPU, no pre-training, no per-task tuning. In the high-rank-1, many-cycle regime, extra flexibility is estimation noise.
Authors: Praneeth Vepakomma, Amirhossein Reisizadeh, Samuel Horv\'ath, Munther Dahleh
Abstract: This work focuses on the question of learning from a large number of devices with each device holding only a single sample of data. Several real-world applications exist to this one sample per client setup up including learning from fitness trackers, data/app usage aggregators, body-worn sensing devices, and daily event monitors to name a few. When a client has only one sample, the standard federated learning paradigm breaks down as a local update based on that single point is far from being useful, especially in the earlier rounds for estimation of the model coefficients. This utility is further weakened by the privacy-inducing noise applied at every round. This work caters to this problem to enable such clients to collaboratively contribute to effectively learn a global model without leaking the privacy of their data. The proposed approach injects a single, carefully calibrated noisy perturbation to transform the sample at each client, followed by a post-processed representation which is shared with the server. These representations aggregated at the server are processed to obtain an unbiased gradient update that in expectation matches the non-private centralized gradient while preserving data privacy. This approach is different than traditional private federated learning, where the communication payloads involve model coefficients as opposed to privately transformed data samples. This method enables devices with extremely limited data to collaborate and learn accurate, privacy-preserving models without requiring large local datasets or sacrificing individual privacy.
Authors: Hongyu Cheng, Yinghao Zheng, Marco Molinaro, Amitabh Basu
Abstract: We establish sample complexity results for stochastic optimization over the integers, especially with a view to understand the complexity with respect to the corresponding continuous optimization problem. We show that integer optimization can sometimes require strictly more samples and sometimes strictly smaller number of samples, depending on the structure of the objective and constraints. 1. For Lipschitz objectives over subsets of the $\ell_\infty$ ball, the statistical complexity of general stochastic mixed-integer, nonlinear, nonconvex optimization is exactly the same as stochastic linear optimization with just bound constraints. 2. For Lipschitz objectives over subsets of the $\ell_2$ ball, we show that integer optimization can require strictly *smaller* sample size compared to the continuous setting in a certain regime. To get to this result, we also establish tight sample complexity results for nonconvex continuous stochastic optimization which, to the best of our knowledge, do not appear in prior work. 3. For strongly convex, smooth objectives, integer optimization has high statistical complexity compared to the continuous setting. In particular, we show that integer optimization requires $\Omega(1/\epsilon^2)$ samples to report an $\epsilon$-approximate solution, compared to the well-known $O(1/\epsilon)$ sample complexity from the continuous optimization literature.
Authors: Xiaoze Liu, Dhananjay Ram, Yuting Zhang, Zhaoyang Zhang, Wei Xia, Stefano Soatto
Abstract: We introduce Mutual Reinforcement Learning, a framework for concurrent RL post-training in which heterogeneous LLM policies exchange typed experience while keeping separate parameters, objectives, and tokenizers. The framework combines a Shared Experience Exchange (SEE), Multi-Worker Resource Allocation (MWRA), and a Tokenizer Heterogeneity Layer (THL) that retokenizes text and aligns token-level traces across incompatible vocabularies. This substrate makes the experience-sharing design question operational across model families. We instantiate three controlled probes on top of GRPO: data-level rollout sharing via Peer Rollout Pooling (PRP), value-level advantage sharing via Cross-Policy GRPO Advantage Sharing (XGRPO), and outcome-level success transfer via Success-Gated Transfer (SGT). A contextual-bandit analysis characterizes their structural positions on a stability-support trade-off: PRP pays density-ratio variance and THL residual costs, XGRPO preserves on-policy actor support while changing scalar baselines, and SGT supplies a rescue-set score direction toward verified peer successes. In the evaluated regime, outcome-level sharing occupies the favorable point of this trade-off.
Authors: Youngsik Yoon, Siwei Wang, Wei Chen, Jungseul Ok
Abstract: Mixture-of-Experts (MoE) language models route each token to a small subset of experts, but whether the routes selected by a trained top-$k$ router are good ones is rarely evaluated directly. Holding the model fixed, we compare each standard route against sampled equal-compute alternatives for the same token and score each by the next-token probability it assigns to the realized token in a verified reasoning trajectory. The result is sharply token-conditional: the standard router is well-aligned with route utility on confident tokens but uninformative on the fragile tokens that drive hard reasoning, where lower-loss equal-compute routes consistently exist inside the frozen model but are not selected. The same pattern holds across Qwen3-30B-A3B, GPT-OSS-20B, DeepSeek-V2-Lite, and OLMoE-1B-7B, and follows structurally from how standard top-$k$ training evaluates routing decisions: the language modeling loss scores only the executed route, and load balancing depends only on aggregate routing statistics. A minimal router-only update to the final-layer router, leaving every expert and every other router frozen, is sufficient to shift pass@K on AIME 2024+2025 and HMMT 2025 for both Qwen3-30B-A3B and GPT-OSS-20B, suggesting that at least part of the failure reflects router-reachable misallocation rather than expert capacity alone.
Authors: Elahe Khatibi, Ziyu Wang, Saba A. Farahani, Di Huang, Hung Cao, Ramesh Jain, Amir M. Rahmani
Abstract: Personalized healthcare decisions require reasoning about how physiological and behavioral variables influence an individual patient over time. Existing temporal causal discovery methods are poorly matched to this setting: cohort-level models provide stable but non-personalized structures, while per-patient discovery is unreliable because individual trajectories are short, noisy, irregular, and non-stationary. This creates a fundamental gap between population-level causal modeling and the patient-specific, time-varying mechanisms needed for intervention reasoning. We introduce PerCaM-Health, a framework for learning personalized dynamic causal graphs from longitudinal health data. The framework learns a knowledge-guided population temporal graph, then conservatively adapts and evolves it using patient-specific temporal evidence and rolling-window updates, producing interpretable and auditable graph sequences. By coupling these graphs with temporal structural equations, the framework enables patient-level counterfactual queries, such as estimating short-horizon outcome changes under hypothetical behavioral interventions. Experiments on a semi-synthetic dynamic health benchmark show that PerCaM-Health improves graph recovery, dynamic edge tracking, and intervention direction accuracy compared to cohort-level, per-patient, and non-personalized temporal baselines. These results demonstrate that jointly modeling personalization and temporal evolution yields more reliable causal structure and intervention reasoning.
Authors: Johan Mathe, Adele Myers, Simon Mataigne, Nina Miolane
Abstract: Many machine learning tasks are invariant under the action of a group $G$ of transformations: signal classification can be invariant under translations, image classification under 2D rotations, and spherical-image classification under 3D rotations. The $G$-bispectrum is a principled complete invariant of a signal (retaining all all signal's information up to the group action) with proven benefits in machine learning and as a pooling layer in deep networks. However, its deployment has been hampered by high computational cost and a patchwork of group-specific implementations. We present bispectrum, an open-source, fully unit-tested PyTorch library that implements selective $G$-bispectra for seven different group actions, as differentiable modules that can be directly incorporated into machine learning pipelines and deep learning architectures. For finite groups $G$, selectivity reduces the computational cost from $O(|G|^2)$ to $O(|G|)$. For planar rotations, we leverage the disk bispectrum. For spherical 3D rotations, we introduce an augmented selective bispectrum at band-limit $L$ which reduces the cost from $O(L^3)$ to $\Theta(L^2)$ coefficients. We profile the entire library (for which we implemented various compute optimizations), showing that it delivers near-exact $G$-invariance with its selective $G$-bispectra computed in sub-millisecond time on GPU (up to commonly used bandlimits). We evaluate the benefits of incorporating $G$-bispectra as pooling layers into deep learning architectures on three classical benchmark datasets --comparing against norm pooling, gated pooling, Fourier-ELU pooling, max pooling, and (non-equivariant) data-augmented convolutional baselines. Results show that $G$-bispectra consistently outperform alternatives in the low-data, moderate-capacity regime.
Authors: Caleb Jore, Jialin Liu
Abstract: Many scientific and combinatorial problems admit multiple correct solutions, not a single label. Standard supervised learning resolves this ambiguity by choosing one solution as the target, but this hidden selector can be arbitrary, discontinuous, and harder to learn than the underlying solution set. We study bifurcation models, a weight-tied dynamical view in which different initializations can converge to different stable equilibria, so the model represents an attractor landscape rather than one chosen branch. We prove that broad set-valued maps with locally Lipschitz branches can be represented by regular equilibrium dynamics and that the induced selectors are almost everywhere regular, while manual selectors can be arbitrarily irregular. Experiments on frustrated Ising models show that such dynamics can discover multiple valid equilibria without branch labels and outperform single-branch supervision. Allen--Cahn experiments further show that diversity is not automatic: it can be encouraged explicitly, but with an accuracy--diversity tradeoff.
Authors: Wenyuan Li, Guang Li, Keisuke Maeda, Takahiro Ogawa, Miki Haseyama
Abstract: A latent world model may achieve accurate short-horizon prediction while still inducing a latent space that is poorly aligned with planning. A key issue is spatiotemporal mismatch: these models are often trained with local predictive supervision, but deployed for long-horizon goal-directed search in latent spaces where Euclidean distance may not reflect what is reachable within a finite action budget. We present the Reachability-Correction auxiliary objective (RC-aux), a lightweight correction for this mismatch in reconstruction-free latent world models. RC-aux keeps the world-model backbone unchanged and adds planning-aligned supervision along two axes. Along the time axis, multi-horizon open-loop prediction trains the model beyond one-step consistency. Along the space axis, budget-conditioned reachability supervision, together with temporal hard negatives, encourages the latent space to distinguish states that are eventually reachable from those reachable within the current planning horizon. At test time, the learned reachability signal can also be used by a reachability-aware planner to favor trajectories that are both goal-directed and attainable under the available budget. We instantiate RC-aux on LeWorldModel and evaluate it under both continuation-training and matched-from-scratch settings. Across goal-conditioned pixel-control tasks and a LIBERO-Goal extension, RC-aux improves LeWM-style planning with modest additional cost. These results suggest that planning with latent world models depends not only on predictive accuracy, but also on whether the learned representation encodes the temporal and geometric structure required by downstream search. The code is available at https://github.com/Guang000/RC-aux.
Authors: Omar Muhammad, Pasupuleti Dhruv Shivkant, Deepak N. Subramani
Abstract: Leveraging deep learning for causal discovery in time series remains challenging because existing neural methods predominantly rely on component-wise architectures that fail to capture shared system dynamics or employ decoupled post-hoc graph extraction that risks overfitting to spurious correlations. We propose $\textbf{Mask2Cause}$, an end-to-end framework that recovers the underlying causal graph directly during the forecasting forward pass. Our approach introduces an Inverted Variable Embedding and an Adjacency-Constrained Masked Attention mechanism, trained with homoscedastic or heteroscedastic objectives to capture causal influences in both mean and variance. Empirical results on diverse benchmarks, from synthetic chaotic dynamics to realistic biological simulations, demonstrate state-of-the-art causal discovery with significantly reduced parameter complexity compared to standard baselines. We further show that inferred causal structures can be used to reduce parameter count of forecasting models by more than 70% on average while maintaining predictive accuracy.
Authors: Yifan Zhou
Abstract: Final outputs hide when a checkpoint commits to its next-token prediction. We introduce the convergence gap, a model-diffing diagnostic that decodes each layer's next-token distribution and measures its distance to the model's own final distribution. Across six paired pretrained and instruction-tuned checkpoints in native prompting regimes, instruction-tuned checkpoints remain farther from their final predictions later into the stack. The effect persists under endpoint-matched raw and tuned readouts, endpoint-free same-history checks, and fixed-history template replay. Matched-prefix interventions identify late MLP windows as the largest tested leverage point: late IT grafts into PT hosts increase late KL by +0.34 nats, while PT-late swaps into IT hosts reduce it by -0.51 nats; matched random late perturbations give only +0.003 versus +0.327 for the true late graft. A preselected Gemma case study provides behavior-facing plausibility for the same late swap, without serving as a benchmark claim. These results identify a robust predictiondynamics signature of post-training: released instruction-following checkpoints tend to settle later, and late MLP computation is the strongest tested bidirectional handle on that delay under matched histories.
Authors: Yifan Zhou
Abstract: Recent interpretability work has identified model-internal handles on post-trained behavior, including refusal directions, assistant/persona axes, and sparse chat-tuning features. These results localize where behaviors can be read out or controlled, often in middle-to-late layers. We ask how earlier computation and the late stack cooperate to turn those differences into next-token margins. To test this, we introduce first-divergence cross-patching: at the first token where pretrained base (PT) and instruction-tuned (IT) checkpoints disagree, we cross each model's earlier-layer state with each model's late stack. The diagnostic separates training recipes: same-base instruction-following descendants show late effects that depend on their own earlier-layer state, while OpenMath2 math-domain SFT and controlled code/biomed CPT controls with verified domain learning do not; for OpenMath2, the late effect is already largely portable from base earlier-layer state. Across five dense families (4B-32B), the IT late stack adds +0.76 logits from PT upstream and +2.44 from IT upstream, giving a +1.68 interaction that is positive in every family. Thus the late stack has a real PT-upstream effect, but its larger effect in the IT checkpoint appears only when it reads its own post-trained upstream state. Sparse features in final MLP layers partially mediate the effect and are driven by upstream patches, supporting a handoff from earlier state to final-layer feature activation to IT-token margin. Forced-token scoring shows that the local token choice can change later exact-answer success. Operationally, paired-checkpoint studies that localize a difference to late layers should test whether it survives under the other checkpoint's upstream state before treating the late stack as self-contained.
Authors: Junjie Yu, Yue Wang, Zihan Deng, Yan Zhu, Wenxiao Ma, Quanying Liu
Abstract: Finetuning pretrained models occurs in a low-dimensional subspace of the full parameter space. Prior work has focused on characterizing this optimization subspace, but largely ignored the complementary question: why do certain directions remain unexplored during finetuning? Are these stable directions irrelevant to downstream tasks, or do they already encode task-relevant structure that requires no further adjustment? Answering this question is central to understanding how pretrained knowledge transfers. Through systematic spectral analysis across vision and language models, we show that the leading singular vectors of pretrained weight matrices remain highly stable under finetuning and are shared across unrelated downstream tasks, revealing that pretraining establishes a reusable spectral coordinate system. Models pretrained on larger datasets exhibit greater spectral stability under distribution shift or task change, directly linking pretraining scale to geometric transferability. Motivated by these findings, we propose a parameter-efficient method that freezes pretrained singular vectors and optimizes only leading spectral coefficients, achieving competitive performance on GLUE with 0.2% trainable parameters. Our results reveal that the stable directions encode transferable structure rather than irrelevant noise: successful pretraining discovers spectral bases that downstream tasks inherit and operate within.
Authors: Emil Carlsson, Newton Mwai, Fredrik D. Johansson
Abstract: Bandit algorithms solve diverse sequential decision-making problems, but are often too sample-inefficient for from-scratch personalization. To substantially reduce exploration times, latent bandit algorithms exploit cross-instance structure implied by discrete latent states, provided that the posterior distribution of rewards and latent states is known and accurate. However, obtaining an accurate model of this structure is difficult, and a small number of latent states may be insufficient to characterize the reward distributions in all problem instances. We propose latent order bandits (LOB), relaxing the assumptions of latent bandits to require only prior knowledge of a partial order of action preferences in each state. This allows instances of the same state to vary in reward distributions, as long as the partial order of actions is shared. For example, groups of users on a streaming service may agree on which movie genres are the best but rate experiences on different scales. We give an upper-confidence bound procedure for the LOB problem, applicable to both total and partial latent orders, and give an upper bound on its regret. To improve empirical performance, we propose a posterior-sampling algorithm and show, in a suite of experiments, that both are competitive with full-prior latent bandits when same-state instances share reward parameters, and preferable to them when reward scales differ between instances with the same latent state.
Authors: Peter Pao-Huang, Xiaojie Qiu, Stefano Ermon
Abstract: We introduce Flux Matching, a new paradigm for generative modeling that generalizes existing score-based models to a broader family of vector fields that need not be conservative. Rather than requiring the model to equal the data score, the Flux Matching objective imposes a weaker condition that admits infinitely many vector fields whose stationary distribution is the data. This flexibility enables a class of generative models that cannot be learned under score matching, in which inductive biases, structural priors, and properties of the dynamics can be directly imposed or optimized. We show that Flux Matching performs strongly on high-dimensional image datasets and, more importantly, that our added freedom unlocks a range of applications including faster sampling, interpretable and mechanistic models, and dynamics that encode directed dependencies between variables. More broadly, Flux Matching opens a new dimension in generative modeling by turning the vector field itself into a design choice rather than a fixed target. Code is available at https://github.com/peterpaohuang/flux_matching.
Authors: Lucas Hu, Ranchi Zhao, Isaac Zhu, Zach Zhang, Hscos Zhang, Hugh Yin, Jason Zhao
Abstract: In large-scale reinforcement learning (RL) systems with decoupled Trainer-Rollout execution, the Trainer must regularly synchronize policy weights to the Rollout side to limit policy staleness. When inter-node bandwidth is abundant, such synchronization is usually only a small fraction of end-to-end cost. As model size grows, however, the communication demand rises rapidly. In bandwidth-constrained or network-variable deployments -- for example, cross-datacenter or cross-cluster settings, heterogeneous resource pools, and online RL -- weight synchronization can become a dominant bottleneck for throughput and tail latency. We observe that, in mainstream large-model RL training, the locations where parameters actually change are highly sparse at the element level (often 99%+ sparsity). Building on this observation, we propose and implement SparseRL-Sync, which replaces full-weight transfers with a lossless sparse update payload (indices and values) that can be exactly reconstructed on the inference side, thereby preserving 100% fidelity. Under a simplified cost model, sparse synchronization reduces the per-update communication volume from S to approximately S/X; with 99% sparsity (X ~ 100), this yields about a 100x reduction in transmitted data. Combined with appropriate bucketing, SparseRL-Sync also reduces launch and control-plane overhead, significantly improving scalability and end-to-end efficiency in bandwidth-limited and highly asynchronous RL settings.
Authors: Yuheng Zhang, Chenlu Ye, Shuowei Jin, Changlong Yu, Wei Xiong, Saurabh Sahu, Nan Jiang
Abstract: Reinforcement learning, including reinforcement learning with verifiable rewards (RLVR), has emerged as a powerful approach for LLM post-training. Central to these approaches is the design of the importance sampling (IS) ratio used in off-policy policy-gradient estimation. Existing methods face a fundamental bias-variance dilemma: token-level IS ratios, as adopted by PPO (Schulman et al., 2017) and GRPO (Shao et al., 2024), introduce bias by ignoring prefix state distribution mismatch; full sequence ratios provide exact trajectory-level correction but suffer from high variance due to the multiplicative accumulation of per-token ratios, while GSPO (Zheng et al., 2025) improves numerical stability via length normalization at the cost of deviating from the exact full-sequence IS correction. In this work, we identify the cumulative token IS ratio, the product of per-token ratios up to position $t$, as a theoretically principled solution to this dilemma. We prove that, under the token-level policy-gradient formulation, this ratio provides an unbiased prefix correction for each token-level gradient term and has strictly lower variance than the full sequence ratio. Building on this insight, we propose CTPO (Cumulative Token Policy Optimization), which combines the cumulative token IS ratio with position-adaptive clipping that scales log-space clip bounds according to the natural $\sqrt{t}$ growth of the cumulative log-ratio. This yields more consistent regularization across token positions. We implement and evaluate CTPO in the tool-integrated reasoning setting on several challenging mathematical reasoning benchmarks, achieving the best average performance across both model scales compared with strong GRPO and GSPO baselines. Code will be available at https://github.com/horizon-llm/CTPO.
Authors: Zixuan Xie, Xinyu Liu, Claire Chen, Shuze Daniel Liu, Rohan Chandra, Shangtong Zhang
Abstract: In-context reinforcement learning (ICRL) studies agents that, after pretraining, adapt to new tasks by conditioning on additional context without parameter updates. Existing theoretical analyses of ICRL largely rely on linear attention, which replaces the softmax function in the standard attention with an identity mapping. This paper provides the first theoretical understanding of ICRL without making the unrealistic linear attention simplification. In particular, we consider the standard softmax attention used in practice. We show that, with certain parameters, the layerwise forward pass of a Transformer with such softmax attention is equivalent to iterative updates of a weighted softmax temporal difference (TD) learning algorithm. Here, weighted softmax TD is a new RL algorithm that performs policy evaluation in kernel space and adopts both linear TD and tabular TD as special cases. We also prove that under a certain contraction condition, the policy evaluation error decays as the number of layers grows, with the identified parameters above. Finally, we prove that those parameters are a global minimizer of a pretraining loss, explaining their emergence in our numerical experiments.
Authors: Mengran Li, Bo Li, Jiaying Wang, Wenbin Xing, Yixuan Dong, Chengyang Zhang, Hongliang Zhang, Yuzhong Peng, Jinlin Wu, Bob Zhang, Bingo Wing-Kuen Ling, Fuji Yang, Zhen Lei, Jiebo Luo, Zelin Zang
Abstract: Virtual Cell Modeling (VCM) requires models that not only predict perturbation responses, but also support targeted revision when predictions fail. Current LLM-assisted modeling workflows face a refinement-routing problem: prediction discrepancies are observed through executable implementations, but the relevant revision may involve the modeling assumption, representation design, implementation, or task constraint. Without structured feedback propagation across these levels, iterative refinement may repair code while failing to revise the assumption responsible for the discrepancy. We propose CellScientist, a dual-space hierarchical framework that couples a high-level hypothesis space with a low-level executable implementation space. CellScientist represents modeling decisions as structured states, realizes them as admissible programs under task and interface constraints, and routes execution discrepancies back to targeted hypothesis or implementation updates. This enables a closed Hypothesis -> Implementation -> Hypothesis loop where failures become structured signals for model refinement rather than debugging events. Across morphology and transcriptomic benchmarks, with additional single-cell perturbation evaluations, the final executable models selected by CellScientist improve over reference baselines under fixed split and evaluation protocols, while the workflow produces auditable refinement traces.
Authors: Hugh Xuechen Liu, K{\i}van\c{c} Tatar
Abstract: Compile-pass rate is the dominant evaluation signal for LLM code generation, yet for multi-component domain-specific artifacts it can be actively misleading. We demonstrate this on executable game scene synthesis with a four-axis evaluation protocol (named `Mage') -- compile success, runtime success, structural fidelity, and mechanism adherence -- applied to 858 generation attempts across four open-weight LLMs (7B--30B), 26~hand-crafted Unity goal pattern playable concepts, and two automatically extracted IR granularity levels. Direct NL-to-C\# generation achieves the highest runtime-pass rate (43\% mean) yet produces structurally vacuous scenes (mechanism $F_1 \approx 0.12$). Structural IR conditioning halves the runtime rate but recovers domain-faithful structure ($F_1$ up to 1.00). Within IR conditioning, behavior-only and full-scene granularity are statistically indistinguishable (McNemar $p = 1.0$), indicating input-level granularity saturation. These results show that compile rate is anti-correlated with functional correctness in this domain and that multi-axis evaluation is necessary to detect the divergence. We release the benchmark, replay logs, and per-record metrics for independent verification.
Authors: Ruijie Zhou, Fanxu Meng, Yufei Xu, Tongxuan Liu, Guangming Lu, Muhan Zhang, Wenjie Pei
Abstract: DeepSeek Sparse Attention (DSA) sets the state of the art for fine-grained inference-time sparse attention by introducing a learned token-wise indexer that scores every prefix token and selects the most relevant ones for the main attention. To remain expressive, the indexer uses many query heads (for example, 64 on DeepSeek-V3.2) that share the same selected token set; this multi-head design is precisely what makes the indexer the dominant cost on long contexts. We propose MISA (Mixture of Indexer Sparse Attention), a drop-in replacement for the DSA indexer that treats its indexer heads as a pool of mixture-of-experts. A lightweight router uses cheap block-level statistics to pick a query-dependent subset of only a few active heads, and only those heads run the heavy token-level scoring. This preserves the diversity of the original indexer pool while reducing the per-query cost from scoring every prefix token with every head to scoring it with only a handful of routed heads, plus a negligible router term computed on a small set of pooled keys. We further introduce a hierarchical variant of MISA that uses the routed pass to keep an enlarged candidate set and then re-ranks it with the original DSA indexer to recover the final selected tokens almost exactly. With only eight active heads and no additional training, MISA matches the dense DSA indexer on LongBench across DeepSeek-V3.2 and GLM-5 while running with eight and four times fewer indexer heads respectively, and outperforms HISA on average. It also preserves fully green Needle-in-a-Haystack heatmaps up to a 128K-token context and recovers more than 92% of the tokens selected by the DSA indexer per layer. Our TileLang kernel delivers roughly a 3.82 times speedup over DSA's original indexer kernel on a single NVIDIA H200 GPU.
Authors: Aditi J. Shelke, Renuka J. Shelke, Yash M. Kamerkar
Abstract: Flight delays impose cascading operational and financial burdens across the aviation network, costing the U.S. economy billions of dollars annually by disrupting interconnected aircraft rotation systems. While prior machine learning approaches have demonstrated strong predictive performance, most treat upstream delays as static input variables rather than explicitly modeling how delays propagate dynamically through aircraft rotation chains, and none have deployed such systems alongside a live weather-aware conversational AI interface for end-user interaction. This paper presents FlightSense, an end-to-end MLOps platform for real-time flight delay prediction built through a progressive three-version feature engineering framework. Version 1 trains an XGBoost classifier on 11 schedule-based features establishing a baseline ROC AUC of 0.732 on 7.07 million BTS 2018 On-Time Performance records. Version 2 introduces 11 delay propagation features derived from aircraft rotation chains via tail-number tracking, yielding the dominant performance gain (AUC 0.732 to 0.875) and surpassing the single-stage XGBoost baseline reported by Zhou (2025). Version 3 integrates five NOAA meteorological features across 10 major U.S. airports, achieving a final test set AUC of 0.879. FlightSense is deployed as a production AWS MLOps pipeline incorporating live weather ingestion via Lambda, real-time SageMaker inference, an interactive Streamlit dashboard, and an Amazon Bedrock Nova Micro conversational assistant answering natural-language delay queries via a tool-use architecture.
Authors: Bum Jun Kim, Makoto Kawano, Yusuke Iwasawa, Yutaka Matsuo
Abstract: Normalization layers in neural operators usually compute statistics by uniformly averaging discrete grid values, making the normalization itself discretization-dependent and thereby a source of transfer error across different resolutions or meshes. To enable discretization robustness, we introduce a quadrature normalization family that replaces existing uniform averaging in normalization layers with numerical quadrature: QuadNorm and BlendQuadNorm. On endpoint-inclusive uniform grids, the proposed quadrature moments are $O(h^2)$-consistent across discretizations, meaning that their cross-resolution mismatch decays quadratically with grid spacing. A transfer-error bound then predicts how normalization-induced mismatch scales with both the resolution gap and network depth. The experiments show the same gap- and depth-scaling trends predicted by the transfer-error bound. On Darcy, QuadNorm delivers the best cross-resolution performance at every tested target resolution from $64^2$ to $256^2$; on real-data benchmarks, Transolver with QuadNorm achieves nearly resolution-invariant transfer. The largest gains appear on nonperiodic PDEs and nonspectral architectures, where native-resolution improvements also emerge. We also validate BlendQuadNorm, which stays close to LayerNorm behavior and serves as a conservative default for periodic FNO settings. These results identify normalization as a previously overlooked source of resolution dependence in neural operators.
Authors: Yameng Peng, Andy Song, HaythamM. Fayek, Vic Ciesielski, Xiaojun Chang
Abstract: Zero-shot proxies, also known as training-free metrics, are widely adopted to reduce the computational overhead in neural network evaluation for scenarios such as Neural Architecture Search (NAS), as they do not require any training. Existing zero-shot metrics have several limitations, including weak correlation with the true performance and poor generalisation across different networks or downstream tasks. For example, most of these metrics apply only to either convolutional neural networks (CNNs) or Transformers, but not both. To address these limitations, we propose Sample-Wise Activation Patterns (SWAP), and its derivative, SWAP-Score, a novel and highly effective zero-shot metric. SWAP-Score is broadly applicable across both architecture families and task domains, demonstrating strong predictive performance in the majority of tasks. This metric measures the expressivity of neural networks over a mini-batch of samples, showing a high correlation with the neural networks' ground-truth performance. For both CNNs and Transformers, the SWAP-Score outperforms existing zero-shot metrics across computer vision and natural language processing tasks. For instance, Spearman's correlation coefficient between the SWAP-Score and CIFAR-10 validation accuracy for DARTS CNNs is 0.93, and 0.71 for FlexiBERT Transformers on GLUE tasks. Moreover, SWAP-Score is label-independent, hence can be applied at the pre-training stage of language models to estimate their performance for downstream tasks. When applied to NAS, SWAP-empowered NAS, SWAP-NAS can achieve competitive performance using only approximately 6 and 9 minutes of GPU time, on CIFAR-10 and ImageNet respectively. Our code is available at: https://github.com/pym1024/SWAP_Universal
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: Karthick Krishna M., Haricharan Balasundaram, Rahul Vaze
Abstract: Convex Optimization with Nested Evolving Feasible Sets (CONES)} is considered where the objective function $f$ remains fixed but the feasible region evolves over time as a nested sequence $S_1 \supseteq S_2 \supseteq \cdots \supseteq S_T$. The goal of an online algorithm is to simultaneously minimize the regret with respect to hindsight static optimal benchmark and the total movement cost while ensuring feasibility at all times. CONES is an optimization-oriented generalization of the well-known nested convex body chasing problem. When the loss function is convex, we propose a lazy-algorithm and show that it achieves $O(T^{1-\beta}), O(T^\beta)$ simultaneous regret and movement cost for any $\beta \in (0,1]$, over a time horizon of $T$. When the loss function is strongly convex or $\alpha$-sharp, we propose an algorithm Frugal that simultaneously achieves zero regret and a movement cost of $O(\log T)$. To complement this, we show that any online algorithm with $o(T)$ regret has a movement cost of $\Omega(\log{T})$ for both cases, proving optimality of Frugal.
Authors: Saloni Garg, Amit Sagtani
Abstract: Efficient routing across multiple LLMs enables cost-quality tradeoffs by directing queries to the cheapest capable model. Prior work attributes routing headroom to an "unsolvability ceiling", queries no model in the pool can solve. We present a large-scale study of multi-tier LLM routing with 206,000 query-model pairs across six benchmarks (MMLU, MedQA, HumanEval, MBPP, Alpaca, ShareGPT) using the Gemma 4 and Llama 3.1 families. Evaluating with both LLM-as-a-judge and exact-match metrics, we show that a substantial portion of reported unsolvability stems from evaluation artifacts: (i) systematic judge biases favoring verbosity over correctness, (ii) truncation under fixed generation budgets, and (iii) output format mismatches. Through dual-judge validation and exact-match grounding, we reduce measured unsolvability across tasks. We introduce a decomposition framework attributing failures to these artifacts, revealing consistent patterns across domains and model families. These artifacts also distort router training signals: standard routers collapse to majority-class prediction (~79% smallest-tier optimal), confirmed via random-feature and shuffled-label controls, incurring a 13-17 percentage point opportunity cost. We provide actionable recommendations including dual-judge validation, exact-match anchoring, and cost-sensitive objectives. Our findings suggest existing routing headroom estimates are substantially inflated, underscoring the need for reliable evaluation protocols in multi-LLM systems.
Authors: Junfeng Fang, Zhepei Hong, Mao Zheng, Mingyang Song, Gengsheng Li, Houcheng Jiang, Dan Zhang, Haiyun Guo, Xiang Wang, Tat-Seng Chua
Abstract: On-policy distillation (OPD) is a powerful paradigm for model alignment, yet its reliance on teacher logits restricts its application to white-box scenarios. We contend that structured semantic rubrics can serve as a scalable alternative to teacher logits, enabling OPD using only teacher-generated responses. To prove it, we introduce ROPD, a simple yet foundational framework for rubric-based OPD. Specifically, ROPD induces prompt-specific rubrics from teacher-student contrasts, and then utilizes these rubrics to score the student rollouts for on-policy optimization. Empirically, ROPD outperforms the advanced logit-based OPD methods across most scenarios, and achieving up to a 10x gain in sample efficiency. These results position rubric-based OPD as a flexible, black-box-compatible alternative to the prevailing logit-based OPD, offering a simple yet strong baseline for scalable distillation across proprietary and open-source LLMs. Code is available at https://github.com/Peregrine123/ROPD_official.
Authors: Bastian Rieck
Abstract: After a somewhat rocky start, geometry and topology have established a foothold in machine learning. Message passing, either on graphs or higher-order complexes, is one of the main drivers of geometric deep learning, and paradigms that were once considered to be firmly in the realm of the abstract-like sheaves-have been "tamed" to serve as novel inductive biases for model architectures in topological deep learning. The veritable diversity of models, however, is in stark contrast to the scarcity of suitable benchmark datasets. As a result, researchers often resort to lifting existing graph datasets to include higher-order information. In this opinion paper, I want to encourage the community to also source new datasets, which may be used to prop up the foundations of our research field.
Authors: Gajendra Katuwal, Advait Koparkar, Salar Abbaspourazad, Anshuman Mishra, Sarvesh Kirthivasan
Abstract: Health foundation models (FMs) learn useful representations from wearable sensors, but interpreting what they encode and transferring that knowledge across modalities after training remains difficult. We present a post-training framework that decomposes frozen embeddings into interpretable directions, referred to as symbols, and use these symbols to align the embedding spaces without retraining. We evaluate the framework on three FMs for photoplethysmography (PPG) and accelerometer data, independently pretrained on ~20M minutes of unlabeled data from ~172K participants, and analyzed on a held-out cohort of 30K subjects. We find that extracted symbols associate selectively with health conditions and physiological attributes, and these associations are partially shared across modalities and architectures. Cross-modal transfer via symbols retains more than 95% of in-domain performance, is nearly symmetric across domain directions, and saturates with limited paired data, together indicating that alignment recovers a shared low-dimensional subspace rich in physiological information. Overall, these results suggest that health FM embeddings contain an interpretable symbolic organization that is shared across modalities and supports cross-domain transfer without joint training.
Authors: Feng Liu (Beijing Jiaotong University), Kejia Li (Beijing Jiaotong University), Zhiwei Yang (DiDi Company), Chunwei Yang (DiDi Company), Qun Li (DiDi Company), Guobin Wu (DiDi Company), Qiang Ni (Lancaster University), Ruipeng Gao (Beijing Jiaotong University)
Abstract: Although Global Navigation Satellite Systems (GNSS) provide a general solution for bike tracking outdoors, there still exist complex riding environments where only inertial navigation systems work, such as urban canyons. Despite decades of research, localization using only low-cost inertial sensors still faces challenges such as cumulative drifts and poor robustness caused by filtering methods. Furthermore, sensors such as visual and LiDAR could provide reliable measurements, but they are not suitable for large-scale deployment. In this paper, we propose an inertial tracking framework that integrates bicycle mechanical constraints with a mixture-of-experts model. Specifically, we leverage multiple expert modules to capture shared representations and weight them through the gating mechanism, thus improving multi-task learning performance and enabling uncertainty-aware trajectory estimation. Furthermore, based on the mechanical transmission between the pedal and the rear wheel of a bike, we explore the intrinsic relationship between the rider's periodic pedalling behaviors and acceleration variations, and convert such patterns into bike's wheel speed for dynamic calibration. Experiments with real-world riding data from shared bikes of the DiDi ride-hailing platform demonstrate that our system improves the accuracy of baselines by at least 12%, with wheel speed errors below 0.5 m/s at 95-percentile.
Authors: Jiaxu Su, Junpeng Li, Changchun Hua, Yana Yang
Abstract: Obtaining accurate class labels is often costly or unreliable, and may also be limited by privacy or other practical conditions. Compared with asking an annotator to provide the exact class, it is often easier to ask whether the true label belongs to a certain label subset. This query-response form defines a distinct weak-supervision mechanism: weak supervision information is generated through feedback on a label subset. Although weakly supervised learning has studied many learning frameworks, most existing work starts from established weak label objects. A systematic characterization is still lacking for weakly supervised learning generated directly by such query response observations. This paper proposes a multiclass learn ing framework under random label-subset queries. We model the data-generating distribution of query-response observations and derive an unbiased estimator of the target risk under the empirical risk minimization (ERM) framework. To address negative empirical risk and the associated overfitting problem, we introduce corrected risk estimators based on non-negative and absolute-value corrections. Theoretical analysis establishes a conditional generalization and excess-risk bound for the unbiased estimator, and a bias-and-consistency result for the corrected risk estimator. Experiments under the matched random-query mechanism demonstrate the feasibility of direct query-response learning and the stabilization effect of risk correction.
Authors: Fengqiang Wan, Yipeng Lin, Kan Lv, Yang Yang
Abstract: Pre-trained models with parameter-efficient fine-tuning (PEFT) have demonstrated promising potential for class-incremental learning (CIL), yet catastrophic forgetting still persists when adapting models to new tasks. In this paper, we present a novel perspective on catastrophic forgetting through the analysis of inter-layer relation drift, i.e., the progressive disruption of relationships among layer-wise representations during the learning of new tasks. We theoretically show that the increase of such drift reduces the classification margins of previously learned tasks, thereby degrading overall model performance. To address this issue, we propose \underline{S}elf-\underline{R}ectifying inter-layer \underline{R}elation Low-Rank Adaptation~(SR$^2$-LoRA), a simple yet effective method that mitigates catastrophic forgetting by constraining inter-layer relation drift. Specifically, SR$^2$-LoRA constructs the relation matrices induced by the previous and current models on current-task samples, and aligns the corresponding singular values. We further theoretically show that this alignment exhibits greater robustness to estimation perturbations than direct entry-wise alignment. Extensive experiments on standard CIL benchmarks demonstrate that SR$^2$-LoRA effectively mitigates catastrophic forgetting, with its advantages becoming more pronounced as the number of tasks increases. Code is available in the \href{https://github.com/FqWan24/SR-2-LoRA}{repository}.
Authors: Shao Shi, Xin Yang, Huiran Feng, Jianhuai Ye, Tianlong Hu, Yaling Zeng, Tzung-May Fu, Lei Zhu, Huizhong Shen, Chen Wang, Shu Tao
Abstract: Modern online mass spectrometry generates multi-terabyte data streams critical for understanding Earth's environmental systems. However, extracting actionable chemical insights from these repositories is impeded by a computational bottleneck: existing clustering methods force a compromise among scalability, metric flexibility, and algorithmic stability. Here, we introduce Flexible Adaptive Stable Clustering (FASC), a dynamical systems framework that resolves these constraints by architecturally decoupling the similarity kernel from rigorous optimization logic. Unlike legacy heuristics that suffer from stochastic drift and algorithmic blending, FASC employs a Density-Augmented Similarity Selection rule and geometric constraints to guarantee deterministic, order-independent convergence. After validating FASC on canonical machine-learning ground truths (achieving >99.5% cluster purity and 0.99 Adjusted Rand Index), we deployed the framework on 25 million mass spectra of atmospheric aerosols. Demonstrating strictly linear empirical runtime scaling (O(N)), FASC autonomously mapped atmospheric aging pathways of secondary inorganic aerosols while isolating ultra-rare industrial tracers (<0.2% abundance), providing a scalable infrastructure for mining environmental big data.
Authors: Chaobo Jia, Ruipeng Wan, Ting Sun, Weihao Tan, Borui Wan, Yuxuan Tong, Guangming Sheng, Hong Xu
Abstract: LLM-based game generation promises to turn natural-language specifications into executable games, but progress is limited by the lack of reliable automated verification. Unlike conventional code generation, game correctness is defined over long-horizon interaction: a game may appear correct while violating core mechanics such as state updates, interaction rules, and phase transitions. Existing Agent-as-a-Verifier approaches collapse verification into open-ended gameplay, making verdicts reachability-bound, time-consuming, coverage-limited, and sensitive to the agent's gameplay ability. We present GameGen-Verifier, an automated verification paradigm for LLM-generated games that decomposes a specification into verifiable keypoints and grounds them into independent verification units. Each unit patches the game runtime into a concrete target state, executes a bounded interaction, and judges the outcome against the keypoint assertion. We implement GGV-Harness, a scalable agentic harness providing concurrency management, runtime isolation, and fault recovery. On VeriGame, our dataset of 100 games across seven genres, GameGen-Verifier achieves up to 92.2% accuracy against human judgments versus 58.8% for the coverage-enforced Agent-as-a-Verifier baseline, while reducing wall-clock time by up to 16.6x.
Authors: Ann Roy, Allen Antony, Andrea Gimelli, Matthew L. Daggitt
Abstract: Neural network verification is an active and rapidly maturing research area, with a growing ecosystem of solvers and tools. The VNN-LIB standard was introduced to support interoperability in this ecosystem, but Version~1.0 has several serious short-comings as a formal foundation: it lacks a precise syntax, semantics, and type system, offers limited expressivity, and relies on externally defined ONNX models whose semantics are informal and constantly evolving. The latter distinguishes VNN-LIB from established standards such as SMT-LIB, where queries are self-contained and have fixed semantics. In this paper we address these challenges by developing the theoretical foundations of VNN-LIB~2.0. Our key contribution is the introduction of the notion of a \emph{network theory}, which abstractly characterises the minimal semantic interface required from a neural network model format. This abstraction enables VNN-LIB to be defined independently of any specific ONNX version while remaining compatible with evolving model representations. Building on this foundation, we present a formal syntax for a more expressive query language, a type system for it over the numeric domains provided by the network theory, and finally a formal semantics. To ensure internal consistency, the standard is mechanised in the Agda theorem prover. VNN-LIB~2.0 therefore provides robust and rigorous foundations for trustworthy neural network verification.
Authors: Hao Luan, See-Kiong Ng, Chun Kai Ling
Abstract: Inference-time controllable generation is essential for real-world applications of unconditional diffusion models. However, most existing techniques focus on individual samples, struggling in applications that require the sample population to follow specific attribute distributions (e.g., demographic balance or semantic proportions). We formalize this setting as the inference-time attribute distributional alignment problem for pretrained unconditional diffusion models. To address this, we cast inference-time attribute distributional alignment as an optimal control problem over the reverse diffusion process, viewing the process as the rollout of a dynamical system and augmenting it with additive, time-dependent perturbations as control. We solve for the perturbations using an optimal-control-based algorithm to optimize a differentiable distribution-matching objective while penalizing control effort to preserve data fidelity. Experiment results in image generation demonstrate that our proposed plug-and-play approach can better align attribute distributions to diverse and flexible test-time targets compared to baselines, without retraining or finetuning the pretrained diffusion model.
Authors: Kaja Balzereit, Malte Mechtenberg, Axel Schneider
Abstract: Motor unit parameters such as the innervation zone centre or the conduction velocity of the electrical potential harbour the potential to improve the fidelity of neuromechanical models used for movement and force prediction. Determining these parameters in a non-invasive way is challenging, as they are subject-specific and may vary with muscle contraction. Existing work on the estimation of motor unit parameters mainly relies on white-box modelling and therefore requires substantial manual modelling effort. This work targets the simultaneous estimation of multiple subject-specific motor unit parameters from electromyography (EMG) recordings measured non-invasively at the skin surface. This results in an inverse problem with a nonlinear loss function. To address this problem, an informed autoencoder is developed. This autoencoder reconstructs the surface EMG recordings while learning the parameters in its latent space and adhering to physical laws that relate the parameters to the EMG signals. In experiments on synthetic data, innervation zone centres are estimated with a mean absolute error of 2.5989 $\mathrm{mm}$, and conduction velocities of the electric potential are estimated with a mean absolute error of 0.1697 $\mathrm{m}\mathrm{s}^{-1}$. These results demonstrate the plausibility of this novel approach, which enables the simultaneous estimation of several motor unit parameters while reducing manual modelling effort through the integration of data-driven machine learning.
Authors: Matthias Schott, Lucie Flek
Abstract: Accurate Monte Carlo (MC) modelling in high-energy physics is challenging, particularly in complex scenarios where simulations fail to reproduce observed data. In practice, experimental information is often limited to one-dimensional (1D) distributions, while mismodelling arises in a multidimensional feature space. This restricts traditional correction methods, as one-dimensional reweighting ignores correlations and fully multidimensional approaches require large target datasets. We propose a neural network-based method that operates under these constraints by learning a transformation of simulated events that reproduces the available 1D target distributions while remaining close to the original simulation. This minimal-deviation principle preserves the global correlation structure of the baseline model while enabling targeted corrections of mismodelled features. Using controlled studies with simulated pseudo-data, we show that the method improves agreement with target distributions and maintains a consistent multidimensional structure. The approach is designed for complex, high-dimensional analyses where traditional techniques are insufficient, providing a scalable way to enhance MC modelling under limited information.
Authors: Xin He, Yuling Jiao, Xiliang Lu, Jerry Zhijian Yang
Abstract: We explore the expressive power of Transformers by establishing precise approximation error upper and lower bounds for H\"{o}lder class. Specifically, a new approximation upper bound is derived for the standard Transformer architecture equipped with Softmax operators, ReLU activation functions, and residual connections. We prove that a Transformer network composed of at most $\mathcal{O}(\varepsilon^{-{d_{0}}/{\alpha}})$ blocks can approximate any bounded H\"{o}lder function with $d_{0}$-dimensional input and smoothness $\alpha\in(0,1]$ under any accuracy $\varepsilon>0$. In the case of approximation lower bounds, leveraging the VC-dimension upper bound, we are the first to rigorously prove that Transformers demand for at least $\Omega(\varepsilon^{-{d_{0}}/({4\alpha})})$ blocks to achieve the $\varepsilon$ approximation accuracy. As a final step, we extend the derived results for standard Transformers to a general regression task and establish the corresponding excess risk rates demonstrating Transformers' empirical effectiveness in real-world settings.
Authors: Tsuyoshi Okita
Abstract: Existing interventional causal discovery methods -- IGSP, DCDI, ENCO -- assume causal sufficiency (no latent confounders) and rely on virtual interventions in synthetic simulators. In AI-for-Science settings such as molecular design and materials science, latent confounders are ubiquitous and real interventions (e.g., physics-based simulations) require hours to days per data point. We propose CFM-SD (Causal Flow Matching with Simulation Data), which uses first-principles physical simulators as do-operators in Pearl's interventional calculus to simultaneously handle latent confounders and real interventional data. Theoretically, $d$-variable causal structure is identifiable with $O(d)$ single-variable interventions -- the minimum under physical realizability constraints. In Intrinsic Evaluation on synthetic data ($\gamma=0.2$--$0.8$), CFM-SD achieves average F1$=0.800$ vs. F1$=0.127$--$0.562$ for all baselines. In Extrinsic Evaluation on real scientific data, CFM-SD achieves 57--58\% bias reduction in molecular toxicity prediction and battery electrolyte optimization, demonstrating practical value beyond synthetic benchmarks.
Authors: Lucie Flek, Philipp Alexander Jungs, Akbar Karimi, Timo Saala, Alexander Schmid, Matthias Schott, Philipp Soldin, Christopher Wiebusch, Ulrich Willemsen
Abstract: Neural networks (NNs) are inherently multidimensional classifiers that learn complex, non-linear relationships among input observables. While their flexibility enables unprecedented performance in high-energy physics (HEP) analyses, it also makes them sensitive to small variations in their inputs. Consequently, the propagation and estimation of systematic uncertainties in NN-based models remain an open challenge. There are indications that uncertainties derived in control regions or from nominal variations of input features can underestimate the true model uncertainty, potentially leaving biases unaccounted for. Inspired by insights from adversarial-attack studies in machine learning, we explore how subtle perturbations, fully consistent with the experimental uncertainties on the input observables, can lead to substantial changes in NN outputs, while keeping the one-dimensional and correlated input distributions nearly unchanged. Using a set of representative HEP tasks, including event classification and object identification, and testing across a variety of network architectures, we demonstrate that networks can be systematically "fooled" at significant rates within the allowed uncertainty envelopes. Building on this observation, we introduce a quantitative framework to probe and measure the hidden sensitivity of neural networks to realistic experimental variations, providing a practical path to evaluate and control their systematic uncertainty in physics analyses.
Authors: Matthias Schott, Lucie Flek
Abstract: Machine-learning models in high-energy physics are often trained on simulated data, where fully simulated samples are computationally expensive while fast simulation provides large statistics at reduced realism. In this work, we systematically study transfer learning between fast-simulated and fully simulated datasets in a realistic LHC environment. We consider three representative tasks, signal-background classification, quark-gluon jet tagging, and missing transverse energy reconstruction, using dense neural networks, graph neural networks, and transformer-based architectures. Models are pretrained on ATLAS-like fast simulation and adapted to CMS-like fast simulation and to fully simulated ATLAS Open Data. Across all tasks, pretrained models consistently outperform independently trained baselines and require significantly less target-domain training data, typically reducing the needed statistics by about a factor of two. These results demonstrate that fast simulation can be used to learn robust, reusable representations and motivate publishing trained models as reusable scientific assets beyond large foundation models.
Authors: Jung Min Choi, Vijaya Krishna Yalavarthi, Lars Schmidt-Thieme
Abstract: Multivariate time series forecasting remains a challenge due to the complexity of local temporal dynamics and global dependencies across multiple variables. In this paper, we propose \textbf{N}eighboring \textbf{P}atching \textbf{Mixer} (\textbf{NPMixer}), a hierarchical architecture featuring a Learnable Stationary Wavelet Transform that adaptively learns filter coefficients to decompose signals into trend and detail components in a data-dependent manner. Our framework introduces a Neighboring Mixer Block that captures local temporal dynamics through a series of hierarchical MLP layers operating on non-overlapping patches. Specifically, the mixer block utilizes MLPs to learn temporal patterns within and across these patches, expanding the receptive field to capture multi-scale dependencies. A Channel-Mixing Encoder is applied to high-frequency components to learn channel correlations while preserving the stability of the underlying global trend. Extensive experiments on seven benchmark datasets demonstrate that NPMixer consistently outperforms state-of-the-art models, achieving better performance in 20 out of 28 ($71.4\%$) evaluated experimental setups for MSE.
Authors: Zizhao Hu, Ameya Godbole, Johnny Tian-Zheng Wei, Mohammad Rostami, Jesse Thomason, Robin Jia
Abstract: Machine unlearning for large language models (LLMs) aims to selectively remove memorized content such as private data, copyrighted text, or hazardous knowledge, without costly full retraining. Most existing methods require a retain set of curated examples to prevent catastrophic degradation of general model utility, creating an extra data dependency that complicates deployment. We propose SHRED (Self-distillation via High-surprisal-only Retain-set-free Entropy Demotion), a retain-set-free unlearning method built on a key insight: not all tokens within a forget set instance carry memorized information equally. High-information tokens concentrate the model's memorized knowledge, while low-information tokens reflect general language competence. SHRED operates in two stages. (1) Selection: We perform a forward pass on a forget set instance, collect per-token autoregressive probabilities, and select the bottom (lowest probability, highest Shannon information) as forget positions; the remaining positions are retained as benign anchors. (2) Training: We construct modified KL targets that demote the memorized token's logit at forget positions while preserving the original distribution at benign positions. The model is then trained via a single top KL self-distillation objective that simultaneously drives forgetting and utility preservation. We evaluate SHRED across four standard unlearning benchmarks and demonstrate that it establishes a new Pareto-optimal trade-off between forget efficacy and model utility, outperforming retain-set-dependent methods. Our analysis shows that SHRED is robust against relearning attacks and membership-inference attacks, and it maintains stable utility even after many sequential unlearning runs.
Authors: Leonel Aguilar, Jan Nagler, Christoph Hoelscher, Nino Antulov-Fantulin
Abstract: Successful deep neural networks discover salient features of data. We show when and why they fail to learn out-of-distribution (OOD)-relevant representations from an in-distribution (ID) training window. This requires decoupling feature learning from data-generating-process (DGP) identifiability. From a single training window, OOD extrapolation is non-identifiable: infinitely many DGPs are $\varepsilon$-observationally equivalent on the training data but diverge arbitrarily outside it, and no in-distribution criterion alone reliably breaks the tie. A structural commitment, the feature map, label map, and model class $(\varphi, \psi, \mathcal{M})$, dictates the assumed DGP and governs OOD generalization while leaving ID performance essentially unchanged. When architecture, pretraining, augmentation, input formats, or domain knowledge implicitly inject the missing commitment, the model succeeds. When it cannot infer OOD-relevant structure from ID evidence, it fails. Changing only the representation can make the same architecture, at the same in-distribution loss, differ by ${\sim}520\times$ out of distribution. When the commitment is correct and identifiable, OOD error vanishes. For example, Fourier coordinates turn periodic extrapolation into interpolation on $\mathbb{S}^1$. The same mechanism predicts outcomes in three natural-science settings (mass-action chemistry; Kepler's-third-law exoplanet prediction, $n=2{,}362$; and cross-species coding-DNA detection) and in a 264-run positional-encoding study across Transformer, Mamba, and S4D. Finally, a controlled study shows: correct features are necessary but not sufficient. The model class must express the target, and the transformed training data must cover the relevant representation space.
Authors: Tsuyoshi Okita
Abstract: Extrapolation to out-of-distribution conditions is a fundamental challenge for physics-constrained deep generative models. Existing methods apply physical constraints as a single static regularization term uniformly across the generation process, and address neither the hierarchical structure of physical laws and the confounding variable problem. We propose the Deconfounded Hierarchical Gate (DHG), which serves as a diagnostic and control mechanism: it identifies when and how strongly temperature confounding contaminates each constraint level, so that hierarchical gates reflect intrinsic physical inconsistency rather than spurious temperature effects. DHG combines counterfactual estimation via the do-operator with backdoor adjustment to remove confounding, then applies Coarse-to-Fine physical constraints progressively. We report a counter-intuitive finding in pretraining: excluding the target-domain data from pretraining outperforms including it by 39% in extrapolation performance (RMSE 0.224 vs. 0.324). This occurs because FNO learns domain-agnostic physical patterns that transfer more effectively when the target domain is withheld. On a lithium-ion battery temperature extrapolation benchmark (trained at 24 degrees Celsius, evaluated at 4.0--43.0 degrees Celsius), our method achieves RMSE = 0.215, a 46% improvement over the unconstrained baseline (Pure CFM: 0.397).
Authors: Tingcheng Bian, Yuzhe Zhang, Jing Jin, Jinchang Luo, MingQuan Cheng, Haiwei Wang, Wenyuan Jiang, Miaohui Wang
Abstract: Large reasoning models (LRMs) achieve strong performance via extended chain-of-thought (CoT) reasoning, yet suffer from excessive token consumption and high inference latency. Existing reinforcement learning (RL) approaches for CoT compression rely on uniform, static length penalties that neglect model capability dynamics and problem-level difficulty variation. We propose \textbf{ExpThink}\xspace, an RL framework that addresses both dimensions through two complementary mechanisms. First, \emph{experience-guided reward shaping} tracks the shortest correct solution found so far for each problem and applies a three-tier reward: full credit for concise correct responses, discounted credit for verbose correct ones, and zero for incorrect ones. The threshold tightens automatically with model improvement, forming a self-evolving curriculum that requires no manual scheduling. Second, \emph{difficulty-adaptive advantage} replaces standard deviation normalization with correct-count normalization, yielding monotonically difficulty-scaled gradients that amplify learning on hard problems to preserve accuracy while suppressing gradients on easy ones to encourage brevity. Together, these mechanisms enforce an accuracy-first, compression-second training objective. Experiments on multiple mathematical reasoning benchmarks demonstrate that \textbf{ExpThink}\xspace reduces average response length by up to 77\% while simultaneously improving accuracy, achieving up to $3\times$ higher accuracy-efficiency ratio (accuracy divided by average token count) than the vanilla baseline and outperforming existing RL-based compression methods on both metrics.
Authors: Emile Pierret, Johannes Hertrich, Samuel Hurault, Julie Delon
Abstract: We study Flow Matching in a semi-discrete setting where a Gaussian source is transported toward a discrete target supported on finitely many points. This semi-discrete regime is the theoretical setting behind the use of Flow Matching for generative modeling, where the target distribution is represented by a finite dataset. In this semi-discrete regime, the exact Flow Matching velocity field is available in closed form, which makes it possible to analyze the geometry induced by the terminal flow map independently of optimization and approximation effects. We investigate the terminal assignment regions, namely the preimages of the target atoms under the terminal flow. We show that these regions are open, simply connected and, under an additional assumption, homeomorphic to the unit ball. At the same time, a planar four-point example shows that these cells can differ sharply from Laguerre cells arising in semi-discrete optimal transport: they may be non-convex, have curved boundaries, and exhibit different boundedness and adjacency patterns. These results clarify the geometry intrinsically induced by the exact semi-discrete Flow Matching objective before neural approximation enters the picture.
Authors: Wenxin Tai, Yaqian Liu, Ting Zhong, Fan Zhou
Abstract: Recent work has observed that explanations produced by Self-Interpretable Graph Neural Networks (SI-GNNs) can be self-inconsistent: when the model is reapplied to its own explanatory graph subset, it may produce a different explanation. However, why self-inconsistency arises remains poorly understood. In this work, we first identify re-explanation-induced context perturbation as the direct cause of score variation. We then introduce a latent signal assignment hypothesis to explain why only some edges are sensitive to this perturbation, and analyze how conciseness regularization affects latent signal assignment. Given that self-inconsistent edges do not provide stable evidence for the model's prediction, we propose Self-Denoising (SD), a model-agnostic and training-free post-processing strategy that calibrates explanations with only one additional forward pass. Experiments across representative SI-GNN frameworks, backbone architectures, and benchmark datasets support our hypothesis and show that SD consistently improves explanation quality while adding only about 4--6\% computational overhead in practice.
Authors: Hippolyte Labarri\`ere, Cesare Molinari, Silvia Villa, Lorenzo Rosasco
Abstract: Black-Box Variational Inference (BBVI) typically relies on Stochastic Gradient Descent (SGD) to optimize the Evidence Lower Bound (ELBO). However, the stochastic gradients in BBVI inherently exhibit unbounded variance, violating standard assumptions and instead satisfying the weaker Blum-Gladyshev (BG) condition, where variance grows quadratically with distance from the optimum. In this paper, we bridge the gap between stochastic optimization theory and the practical instances of BBVI. Focusing on the broad elliptic location-scale family of parameterized distributions, we offer two main contributions. First, we prove the existence of an ELBO solution, a foundational property usually assumed a priori in the literature. Second, we establish comprehensive convergence guarantees spanning finite-time and asymptotic regimes for Minibatch Projected SGD (PSGD) equipped with dynamic batching and preconditioning under the BG condition. Our theoretical framework demonstrates that dynamic batching combined with preconditioning systematically enables rigorous guarantees even in complex settings. We illustrate our theoretical findings with numerical results, highlighting the efficacy of our approach for modern inference tasks.
Authors: Xing Han, Ziyin Liu, Suchi Saria, Paul Pu Liang
Abstract: Neural scaling laws establish a predictable relationship between model performance and data or compute, offering crucial guidance for resource allocation in new domains and tasks. Yet such laws are most needed precisely where they are hardest to obtain: fitting one for a new model task pair demands expensive sweeps that typically exhaust the very compute budget the law is meant to economize. This paper poses the research question of how to develop generalizable scaling laws: laws fit once on a well-resourced source domain and reliably transported to new domains where running a full sweep is infeasible, which requires a fundamental understanding of when and why scaling properties change. We address this by identifying the right invariants: scaling laws are preserved under bijective (information-preserving) transformations of the data and modified in predictable, information-theoretically grounded ways under non-bijective transformations that lower its information resolution $\rho$: a single axis along which a law fit in one domain can be transported to another. We validate this across language, vision, and speech, and demonstrate two cross-domain applications: predicting scaling for language models trained on electronic health records from laws fit on general text, and predicting time-series classification scaling under varying levels of noise injection, recovering the data-scaling exponents to within $3\%$ error.
Authors: Csongor Horv\'ath, Ida-Maria Sintorn, Prashant Singh
Abstract: Standard Importance Sampling (IS) collapses under label corruption because high-norm examples, prioritized for variance reduction, are often adversarial outliers. We formalize this misalignment using an $\varepsilon$-contamination model and propose Disagreement-Regularized Importance Sampling (DR-IS), a sub-sampling method based on loss rank-disagreement across independent proxy ensemble. We prove finite-sample concentration bounds showing that the empirical rank disagreement of bulk corrupted examples is bounded above, and that of boundary-clean examples bounded below, both at rate $O(\sqrt{\log(N/\delta)/K})$ with probability $1-\delta$; when the structural expectation gap $\Delta'$ between the two groups is positive and the boundary-clean set is at least as large as the selected subset, these bounds certify strict separation and control the contamination rate of the selected subset. Empirically, DR-IS remains robust under targeted high-norm attacks that break magnitude-based methods such as the Error $L_2$-norm (EL2N) on benchmark datasets. DR-IS complements training-dynamics approaches like Area Under the Margin ranking (AUM), offering improved robustness in the loss-aligned regime alongside explicit finite-sample concentration certificates and a contamination bound limiting noise leakage from the statistical tail of corrupted points.
Authors: Dan Ofer, Dafna Shahaf, Michal Linial
Abstract: Protein language models are trained primarily with masked language modeling (MLM), which predicts amino-acid identities at masked positions. We ask whether latent-space prediction can complement these token-level objectives under matched wall-clock budget. Across pretrained and random-init protein sequence encoders at 35--150M parameters, we find that the best protein-JEPA design is not all-position latent prediction but a variant: predicting latent targets only at masked positions, and retaining the MLM cross-entropy. We call this recipe masked-position MLM+JEPA. On a 16-task downstream suite (15 frozen linear probes plus SCOPe-40 zero-shot fold retrieval), under matched wall-clock budgets, this recipe wins more tasks than it loses against MLM-only continuation: 10 wins / 3 losses / 3 ties (hereafter W/L/T) on pretrained ESM2-35M, 11/2/3 on ESM2-150M while results in pretraining from scratch are mixed (6/8/2). Gains are seen for multiple models on 11 of 16 tasks, including stability, \b{eta}\beta \b{eta}-lactamase fitness, variant effect, intrinsic disorder, remote homology, enzyme classification, and SCOPe-40 fold retrieval. Tasks with more losses than wins are Fluorescence (TAPE) and Peptide-HLA Binding. All-position MLM+JEPA matches MLM-only overall but does not reproduce the masked-position gains. JEPA-only (no MLM) collapses in nearly every experiment. We conclude that JEPA, when combined with MLM, is competitive and can outperform pure MLM in pretraining and continued training, even under matched wall-clock budgets.
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: Tigran Ramazyan, Denis Derkach
Abstract: We study zeroth-order optimisation under context distributional uncertainty, a setting commonly tackled using Bayesian optimisation (BO). A prevailing strategy to make BO more robust to the complex and noisy nature of data is to employ an ensemble as the surrogate model, thereby mitigating the weaknesses of any single model. In this study, we propose a novel algorithm for Ensemble Distributionally Robust Bayesian Optimisation that remains computationally tractable while managing continuous context. We obtain theoretical sublinear regret bounds, improving current state-of-the-art results. We show that our method's empirical behaviour aligns with its theoretical guarantees.
Authors: Minkyoung Kim, Beakcheol Jang
Abstract: Bilevel graph structure learning is widely understood to improve graph neural networks by jointly optimizing model parameters and a learned graph structure, with the resulting performance gain attributed to the rewired adjacency. We find that this attribution may be overstated: training-dynamics effects in the inner loop, rather than the rewiring itself, capture a substantial share of the gain. To establish this, we introduce frozen-$\phi$, a control that freezes the graph while retaining the inner-loop training schedule. This decomposes the bilevel gain into an inner channel of $T$-step training dynamics with implicit gradient regularization and a graph channel of the graph rewiring itself. On spatio-temporal flow forecasting the inner channel matches or exceeds the full bilevel pipeline, accounting for 78-101% of the gain; on node classification it accounts for 37-44% under a Bernoulli edge-level parameterization. We also verify that classical spectral diagnostics can dissociate from task gain. We propose frozen-$\phi$ as a standardized diagnostic for bilevel graph structure learning, with graph distillation as a method-agnostic complement. A three-precondition framework further predicts the sign of the bilevel gain on all six benchmarks.
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: Jin Xu, Camille Couturier, Victor R\"uhle, Saravan Rajmohan, James Hensman
Abstract: Transformer blocks typically combine multi-head attention (MHA) for token mixing with gated MLPs for token-wise feature transformation, yet many choices in their parameterization remain largely empirical. We introduce Causal Energy Minimization (CEM), a framework that recasts Transformer layers as optimization steps on conditional energy functions while explicitly accounting for layer parameterization. Extending prior energy-based interpretations of attention, CEM shows that weight-tied MHA can be derived as a gradient update on an interaction energy, and that a gated MLP with shared up/down projections can be viewed through an element-wise energy. This perspective identifies a design space for Transformer layers that includes within-layer weight sharing, diagonal-plus-low-rank interactions, lightweight preconditioners, and recursive updates. We evaluate CEM-derived layers in language-modeling experiments at the moderate hundred-million-parameter scale. Despite their constrained parameterizations, these layers train stably and can match corresponding Transformer baselines. Overall, our results suggest that CEM provides a useful lens for understanding Transformer layer parameterization, connecting Transformer architectures to energy-based models and motivating further exploration of energy-guided layer designs.
Authors: Ioannis Chatzis, Jason Liartis, Athanasios Voulodimos, Giorgos Stamou
Abstract: Actionable Recourse provides individuals with actions they can take to change an unfavorable classifier outcome. While useful at the instance level, it is ill-suited for global auditing and bias detection, since aggregating local actions is costly and often inconsistent. Recourse Summaries address this limitation by partitioning the population and assigning one shared action per subgroup, enabling comparison across subgroups. Designing summaries involves a fundamental trade-off between recourse effectiveness and recourse cost, which existing methods do not adequately address. We introduce Summaries of Optimal and Global Actionable Recourse (SOGAR), which formulates recourse summary learning as an optimal decision tree learning problem and finds the Pareto front -- the complete set of solutions where improving one objective necessarily worsens the other. SOGAR enables post-hoc selection of the desired trade-off without retraining. Using shallow axis-parallel decision trees and sparse leaf actions, SOGAR produces stable, low-cost, and effective recourse summaries that outperform existing approaches across effectiveness and cost metrics.
Authors: Tsuyoshi Okita
Abstract: Recent methods for improving LLM mathematical reasoning, whether through MCTS-based test-time search or causal graph-guided knowledge injection, cannot identify which concepts causally contribute to a correct answer, as the observed association may be spurious, driven by confounders such as problem difficulty. We propose CIKA (Causal Intervention for Knowledge Activation), a framework that uses the LLM itself as an interventional simulator: a prompt sets the concept state to ``mastered'' and the correctness change estimates the causal effect. We formalize this quantity as an Interventional Capability Probe (ICP), which diagnoses whether the LLM can use a given concept -- distinct from merely possessing knowledge. Because the intervention exogenously sets the concept state independently of problem difficulty, ICP separates confounding that observational methods cannot. On 67 screened problems, the ICP of the top-ranked concept (+0.219) is significantly larger than that of the negative control (+0.039; paired $t$-test, $p < 10^{-6}$, Cohen's $d = 0.86$), confirming that the probe discriminates causally relevant concepts from irrelevant ones. Analysis of 601 Omni-MATH problems further shows that solved problems have 6.1$\times$ higher ATE than unsolved ones (0.338 vs. 0.055), confirming that ICP is predictive of problem-solving success. With a 7B-parameter LLM whose weights are entirely frozen, CIKA achieves 69.7\% on the contamination-free Omni-MATH-Rule benchmark and 64.0\% overall, compared to 60.5\% for o1-mini, and 97.2\% on GSM8K, 46--50\% on AIME 2024--2026, and 46.2\% on MathArena. The Causal Knowledge Activation component contributes 33.8\% of correct answers on problems where the base model alone fails, demonstrating that the LLM already possessed but had not activated the requisite knowledge.
Authors: Hanato Kikuchi, Ryosuke Masuya, Kazuhiko Kawamoto, Hiroshi Kera
Abstract: Learning parity functions, more general modular addition, is a challenging machine learning task due to its input sensitivity. A recent study substantially scaled modular addition learning in both the number of summands and the modulus. Its key idea is to increase zeros in training sequences, reducing the effective number of summands and thus controlling training difficulty; however, this induces covariate shift between training and test input distributions. This study theoretically and empirically analyzes this side effect and proposes a covariate-shift-free method for modular addition. Specifically, we introduce an auxiliary modulus $Kq$ during training, which reduces wrap-around frequency and problem difficulty while preserving the same input distribution across training and testing. Experiments show strong scalability and sample efficiency: even for large input length $N$, large modulus $q$, and small datasets -- where the sparse method fails to learn -- our method achieves equal or better match accuracy and relaxed $\tau$-accuracy. For example, at $N=64$ and $q=974269$, our method trained on 100K samples achieves $97.0\%$ $\tau$-accuracy at $\tau=0.05$, while the sparse method achieves only $9.5\%$ with the same data size and $93.9\%$ even when extended to 1M samples.
Authors: George Rapakoulias, Peter Garud, Lingjiong Zhu, Panagiotis Tsiotras
Abstract: Diffusion models achieve strong generation quality, diversity, and distribution coverage, but their performance often comes with expensive inference. In this work, we propose Stochastic Transition-Map Distillation (STMD), a teacher-free framework for accelerating diffusion model inference while preserving probabilistic sample generation. In contrast to score-based diffusion models, whose denoising parametrization models the mean of the posterior distribution, STMD distills the full transition map associated with the sampling stochastic differential equation (SDE). We parameterize these SDE transitions with a conditional Mean Flow model, yielding a one- or few-step stochastic sampler that retains the transition structure of the underlying diffusion process. This perspective is especially useful for downstream tasks that require stochastic inference, such as diffusion posterior sampling, inverse problems, and energy-based fine-tuning. Compared to recent distillation methods, STMD requires no pretrained teacher, bi-level optimization, or trajectory simulation and caching, enabling efficient and scalable training. We derive convergence bounds for our method in the Wasserstein distance, providing a strong theoretical foundation for our approach, and validate STMD on various image generation examples on the MNIST, CIFAR-10, and CelebA datasets.
Authors: Bardia Zadeh, George A. Constantinides
Abstract: Low-precision number formats are widely used in modern machine learning systems due to their efficiency. Accurate direction representation is key to the accuracy of vector operations. This work precisely explores the extent to which the direction of a vector can be represented by selecting its scalar elements from a common finite alphabet of a given size. This is standard practice in machine learning, where low-precision significands may be narrow-width floating-point or integer values. A geometric framework is introduced for analyzing the directional coverage of such product-structured codes. This work analytically quantifies the suboptimality gap between such product-structured codes and spherical codes for the vector as a whole, in both low and asymptotically high dimensions. Furthermore, within the product code class, it is proven that the standard formats of two's complement, fixed-point, and floating-point are suboptimal, again with quantified gap, pointing to the potential to develop new scalar number formats. Such scalar alphabets are numerically optimized across multiple block dimensions for directional coverage, including the dimension used in NVIDIA's NVFP4 format. Experimental results are presented comparing the performance of standard formats and the optimized alphabet. We find that for four bits, NVIDIA's choice of E2M1 closely approximates the optimized alphabet, providing a geometric explanation for its strong performance in low-precision machine learning workloads and an analytical understanding of the link between that superiority and block size. We provide open-source formal proofs in Lean for the theorems in this work, along with the experimental code and the optimized alphabets obtained.
Authors: Xavier Sumba, Carles Balsells-Rodas, Yingzhen Li
Abstract: Standard flow matching scales well but typically relies on an unstructured source distribution, limiting its ability to learn interpretable latent structure. Latent-variable models, by contrast, capture structure but often sacrifice generative quality. We bridge this gap by proposing Structured Coupling for Flow Matching (SCFM), a cooperative framework that augments flow matching with structured latent representation learning. By introducing structured latent variables and exogenous noise into the source, SCFM jointly learns a structured prior (via latent variable modeling) and a continuous transport map (via flow matching). It uses a shared time-dependent recognition network for both latent variable model variational inference and intermediate-time flow velocity estimation. This yields a structurally informed yet unconditional, simulation-free flow model, where the latent variable model can also assist flow sampling. Empirically, SCFM facilitates unsupervised latent representation learning for clustering, disentanglement and downstream tasks, while remaining competitive with flow matching in sample quality, showing that meaningful structure can be learned without sacrificing generative fidelity.
Authors: Wenhua Nie, Junlin Liu, Jianan Wu, Zijie Meng, Yilong Fan, Zhang Zijian, Haoran Zheng, Jyh-Shing Roger Jang
Abstract: Chain-of-thought reasoning is often treated as a monotone way to improve language-model accuracy by letting a model think longer. We identify a countervailing effect, the coupling tax: when reasoning traces and final answers share one output-token budget, long traces can crowd out the answer they are meant to support. Across GSM8K, MATH-500, and five BIG-Bench Hard tasks with Qwen3 models at three scales, non-thinking mode matches or outperforms thinking mode on GSM8K and MATH-500 at every budget up to 2048 tokens, while harder tasks shift the crossover to larger budgets. We derive a truncation-waste decomposition, $\mathrm{Acc}_{\mathrm{think}}(b)=\alpha_c F_L(b)+\alpha_t(1-F_L(b))$, that predicts this crossover from chain-length and accuracy statistics and explains inverse scaling within the Qwen family. A DeepSeek-R1-Distill-Llama-8B replication shows the same pattern under a different thinking interface. As a mitigation, split-budget generation decouples reasoning and answer budgets; on full MATH-500, IRIS reaches 74.0% accuracy, a strengthened extraction variant reaches 78.8%, and a fixed non-oracle SC+IRIS gate reaches 83.6%. The results show that test-time reasoning should be evaluated as a budget-allocation problem, not only as a question of whether longer traces are available.
Authors: Wenhua Nie, Jianan Wu, Junlin Liu, Ziwei Li, Zheng Lin, Zhang Zijian, Yilong Fan, Haoran Zheng, Jyh-Shing Roger Jang
Abstract: Group Relative Policy Optimization (GRPO) is a standard algorithm for reinforcement learning from verifiable rewards, but its group-mean-centered advantage can fail under binary rewards. The failure mode is gradient starvation: when every response in a group is correct or every response is wrong, the centered advantage is exactly zero and the policy receives no learning signal. We prove that the true degeneracy rate always exceeds the i.i.d. Bernoulli prediction by Jensen's inequality, and observe a 0.69 degeneracy rate at group size four in logged Qwen3.5-9B GSM8K training. We then show that the fixed-reference Sign advantage, $A=2r-1$, performs pass@$G$ failure descent by increasing the probability that at least one sample in the group succeeds. On the full GSM8K test set across seven seeds, Sign reaches 73.8% accuracy versus 28.4% for standard normalized group-mean DrGRPO at group size four, a 45.4 point gain with $p<0.0001$. The effect is directionally consistent on Llama-3.1-8B and positive but underpowered on a MATH-500 transfer check. Pass@$k$ analysis indicates that the main benefit is search compression rather than large capacity expansion, aligning the empirical gains with recent RLVR ceiling observations.
Authors: Shijie Liu, Tansu Alpcan, Christopher Leckie, Sarah Erfani
Abstract: Time-series anomaly detection is critical for ensuring safety in high-stakes applications, where robustness is a fundamental requirement rather than a mere performance metric. Addressing the vulnerability of these systems to adversarial manipulation is therefore essential. Existing defenses are largely heuristic or provide certified robustness only under $\ell_p$-norm constraints, which are incompatible with time-series data. In particular, $\ell_p$-norm fails to capture the intrinsic temporal structure in time series, causing small temporal distortions to significantly alter the $\ell_p$-norm measures. Instead, the similarity metric \emph{Dynamic Time Warping} (DTW) is more suitable and widely adopted in the time-series domain, as DTW accounts for temporal alignment and remains robust to temporal variations. To date, however, there has been no certifiable robustness result in this metric that provides guarantees. In this work, we introduce the first \emph{DTW-certified robust defense} in time-series anomaly detection by adapting the randomized smoothing paradigm. We develop this certificate by bridging the $\ell_p$-norm to DTW distance through a lower-bound transformation. Extensive experiments across various datasets and models validate the effectiveness and practicality of our theoretical approach. Results demonstrate significantly improved performance, e.g., up to 18.7\% in F1-score under DTW-based adversarial attacks compared to traditional certified models.
Authors: Shaoheng Yan, Zian Li, Cai Zhou, Qiaojing Huang, Kai Liu, Muhan Zhang
Abstract: Geometric representation-conditioned molecule generation provides an effective paradigm that decouples molecule representation modeling from structure generation. By decoupling molecule generation into two stages-first generating a meaningful molecule representation, and then generating a 3D molecule conditioned on this representation-the efficiency and quality of the generation process can be significantly enhanced. However, its effectiveness is fundamentally limited by the quality of the representation space: pretrained molecular encoders, such as UniMol, produce representations that are non-smooth and not fully exploited during the generative training process. In this work, we propose LENSEs, a framework that better exploits the potential of molecule representations in representation-conditioned generation methods. In particular, LENSEs introduces three complementary mechanisms: (1) a representation head, simultaneously trained during generative tasks, that extracts multi-level representations from the pretrained encoder; (2) a molecule perceptual loss that optimizes the generator in a semantic-informative representation space; and (3) a node-level representation alignment (REPA) loss that explicitly aligns the generator's hidden states with encoder representations, reducing the semantic gap between pretraining and generation. We demonstrate the effectiveness of these improvements through extensive molecule generation tasks. Specifically, on the challenging molecule generation dataset GEOM-DRUG, LENSEs achieves 97.28% validity and 98.51% molecule stability, surpassing existing advanced methods. Further analyses through Lipschitz constant reduction (4.6x) and QM9 probing tasks also demonstrate the smoother, more informative refined representations, establishing generative training with alignment objectives as a potential pretraining paradigm for molecular encoders.
Authors: Wenhua Nie, Zijie Meng, Kun Zou, Zheng Lin, Ziwei Li, Haoran Zheng, Jyh-Shing Roger Jang, Hao Zhang
Abstract: Grammar-constrained generation is often combined with local vocabulary masking and speculative decoding, but the resulting sampling law is not the grammar-conditional distribution users usually intend. We show that any speculative decoder with local mask access, Leviathan rejection, and rollback soundness samples from the locally projected distribution $\mu^{\mathrm{proj}}$ rather than the grammar-conditional distribution $\mu^\star$. This extends the GAD impossibility result to speculative decoding; on Dyck grammars with Qwen3-8B, the total-variation gap can reach 0.996. We identify the future-validity function $\Phi_t(y)=\Pr_p[\mathrm{valid\ completion}\mid y]$ as the missing correction statistic. The target distribution is a Doob transform of the base model with $h=\Phi$, while local masking corresponds to setting $h$ to one. With exact $\Phi$, our oracle decoder FVO-Spec samples exactly from $\mu^\star$; with approximate $\Phi$, we bound the resulting total-variation error. Because exact future validity is hard for general context-free grammars, we evaluate estimator hierarchies on tractable Dyck and finite JSON languages. OneStep reduces Dyck TV by 14% with under 1% throughput overhead, exact dynamic programming reduces it by 97%, and finite-language correction closes JSON gaps to numerical precision. All fidelity claims are scoped to enumerable grammars and token tries.
Authors: Viktar Dubovik, Patryk Marsza{\l}ek, Jacek Tabor, Tomasz Ku\'smierczyk
Abstract: Low-Rank Adaptation (LoRA) enables parameter-efficient fine-tuning of large models by decomposing weight updates into low-rank matrices, significantly reducing storage and computational overhead. While effective, standard LoRA lacks mechanisms for uncertainty quantification, leading to overconfident and poorly calibrated models. Bayesian variants of LoRA address this limitation, but at the cost of a significantly increased number of trainable parameters, partially offsetting the original efficiency gains. Additionally, these models are harder to train and may suffer from unstable convergence. In this work, we propose a novel framework for parameter-efficient Bayesian fine-tuning, demonstrating that effective uncertainty quantification can be achieved in very low-dimensional parameter spaces. The proposed method achieves strong performance with improved calibration and generalization while maintaining computational efficiency. Our empirical findings show that, with the appropriate projection of the weight space uncertainty can be effectively modeled in a low-dimensional space, and weight covariances exhibit low ranks.
Authors: Feiyu Yao, Zhixiong Niu, Xiaqing Li, Yongqiang Xiong, Juan Fang, Qian Wang
Abstract: Long-context inference increasingly operates over CPU-resident KV caches, either because decoding-time KV states exceed GPU memory capacity or because disaggregated prefill-decode systems place KV data in host memory. Although block-sparse attention reduces attention cost in this setting, sparsity alone is insufficient for end-to-end efficiency. GPU-only designs remain constrained by PCIe bandwidth and metadata memory overhead, while CPU-GPU hybrid designs still suffer from substantial GPU idle time and bottlenecks in CPU-side top-k selection and sparse attention computation. Fluxion is built on three key insights: output-aware KV budgeting, head-specific and granularity-aware sparse configuration, and cross-device coordinated execution for sparse attention over CPU-resident KV caches. Guided by these insights, Fluxion combines a lightweight head-property predictor, a granularity-budget selector, and a priority-based scheduler to jointly optimize budget allocation, sparse configuration, and CPU-GPU execution overlap. This co-design enables hybrid sparse attention to achieve both accuracy and system efficiency in long-context inference. Across 2 models, 3 benchmarks, and 40 tasks, Fluxion preserves quality well -- the worst average degradation is only -0.26 relative to FULL, while delivering 1.5$\times$-3.7$\times$ speedup over the strongest fixed sparse hybrid baseline, whose KV budget is only 0.05.
Authors: Ali Falahati, Mohammad Mohammadi Amiri, Kate Larson, Lukasz Golab
Abstract: Recursive retraining of generative models poses a critical representation challenge: when synthetic outputs are curated based on a fixed reward signal, the model tends to collapse onto a narrow set of outputs that over-optimize that objective. Prior work suggests that such collapse is unavoidable without adding real data into the mix. We revisit this conclusion from an alignment perspective and show that collapse can be mitigated through curation based on multiple reward functions. We formalize the dynamics of recursive training under heterogeneous preferences and prove that, under certain conditions, the model converges to a stable distribution that allocates probability mass across competing high-reward regions. The limiting distribution preserves diversity and provably satisfies a weighted Nash bargaining solution, offering a formal interpretation of value aggregation in synthetic retraining loops.
Authors: Juil Koo, Mingue Park, Jiwon Choi, Yunhong Min, Minhyuk Sung
Abstract: We propose Drifting Field Policy (DFP), a non-ODE one-step generative policy built on the drifting model paradigm. We frame the policy update as a reverse-KL Wasserstein-2 gradient flow toward a soft target policy, so that each DFP update corresponds to a gradient step in probability space. By construction, this gradient is decomposed into an ascent toward higher action-value regions and a score matching with the anchor policy as a trust region. We further derive a simple, tractable surrogate of the otherwise intractable update loss, akin to behavior cloning on top-K critic-selected actions. We find empirically that this mechanism uniquely benefits the drifting backbone owing to its non-ODE parameterization. With one-step inference, DFP achieves state-of-the-art performance on several manipulation tasks across Robomimic and OGBench, outperforming ODE-based policies.
Authors: Srinivas Kumar R, Jose Mathew, Ankit Singh Chauhan, Dinesh Rajkumar, Aravind Manoj, Mohit Goel
Abstract: Accurate truck-to-shipment matching using GPS data is foundational for full truckload supply chain visibility, enabling real-time tracking and accurate estimated time of arrival (ETA) predictions. However, missing or corrupted vehicle identifiers prevent traditional matching approaches, leaving shipments without visibility. This paper presents Intelligent Truck Matching (ITM) 2.0, a machine learning system that addresses this critical gap by formulating matching as a probabilistic ranking problem. Our approach leverages Uber H3 hexagonal spatial indexing to discretize GPS pings into route similarity features, combined with temporal information, then applies LightGBM gradient boosting with threshold-based post-processing. Through rigorous evaluation including offline model selection (SVM, XGBoost, LightGBM), comprehensive ablation studies, and production shadow testing, we demonstrate substantial gains over rule-based baselines. ITM 2.0 achieves 26 percentage point precision improvement in North America and 14 points in Europe, while doubling coverage. Deployed in production at Project44 handling full truckload shipments, the system demonstrates robustness to geocoding errors up to 1 km, multiple candidate trucks, and sparse pings.
Authors: Min Gao, Julia Maria Perathoner, Anton Ludwig Bonin, Steven Eulig, Gianni Klesse
Abstract: Semiconductor materials manufacturing presents unique challenges for machine learning deployment due to evolving process conditions, equipment degradation, and raw material variability that can cause model performance deterioration over time. This study benchmarks machine learning operations (MLOps) retraining strategies using five years of real manufacturing data to identify optimal retraining approaches for quality prediction. We evaluate various retraining frequencies and hyperparameter optimization strategies using control limit normalized residuals as key performance metric. Results demonstrate that a fixed retraining cadence every five production batches without hyperparameter retuning achieves superior performance across all drift conditions while significantly reducing computational overhead compared to strategies incorporating hyperparameter optimization. This approach effectively maintains model accuracy during both abrupt process changes and gradual equipment degradation patterns. To address the critical need for uncertainty quantification in manufacturing decision-making, we implement conformal prediction to generate prediction confidence intervals with strong statistical guarantees. This enables proactive quality control by identifying when prediction intervals fall within acceptable control limits, transforming traditional reactive quality management into a predictive framework. The findings provide practical guidelines for implementing robust MLOps strategies in manufacturing environments where computational efficiency and reliable uncertainty quantification are paramount for operational success.
Authors: Jiwan Chung, Heechan Choi, Seon Joo Kim
Abstract: The theory of state tracking in recurrent architectures has predominantly focused on expressive capacity: whether a fixed architecture can theoretically realize a set of symbolic transition rules. We argue that equally important is error control, the dynamics governing hidden-state drift along the directions that distinguish symbolic states. We prove that affine recurrent networks, a class of models encompassing State-Space Models and Linear Attention, cannot correct errors along state-separating subspaces once they preserve state representations. Consequently, practical affine trackers do not learn robust state tracking; rather, they learn finite horizon solutions governed by accumulated state-relevant error. We characterize the mechanics of this failure, showing that tracking remains readable only while the accumulating within-class spread remains small relative to the initial between-class separation. We demonstrate empirically on group state-tracking tasks that this breakdown is predictable: tracking collapses when the distinguishability ratio crosses the readability threshold of the trained decoder. Across trained models, the point of this crossing predicts the horizon at which downstream accuracy fails. These results establish that robust state tracking is determined not only by an architecture's theoretical expressivity but crucially by its error control.
Authors: Ivan Karpukhin, Andrey Savchenko
Abstract: Modern deep models are often pretrained on large-scale data with missing labels using composite objectives, where the relative weights of multiple loss terms act as hyperparameters. Tuning these weights with random search or Bayesian optimization is computationally expensive, as it requires many independent training runs. To address this, we propose a gradient-based bilevel method that learns pretraining loss weights online by aligning the composite pretraining gradient with a downstream objective. By exploiting the structure of the loss, the method avoids the multiple backward passes typically required by truncated backpropagation through the full model, reducing the overhead of hyperparameter tuning to approximately 30% above a single training run. We evaluate the approach on event-sequence modeling and self-supervised computer vision, where it matches or improves upon carefully tuned baselines while substantially reducing the cost of hyperparameter tuning compared to random or Bayesian search.
Authors: Jun Zhang, Haibo Zhang, Chun Liu, Xiaofan Wang, Liang Xu
Abstract: Formal verification of neural control barrier functions (NCBFs) remains challenging, especially for neural networks with nonlinear activations like \(\tanh\). Existing CROWN-based methods rely on conservative linear relaxations for Jacobian bounds, limiting scalability. We propose LightCROWN, which computes tighter Jacobian bounds by exploiting the analytical properties of activation functions. Experiments on nonlinear control systems including the inverted pendulum, Dubins car, and planar quadrotor demonstrate that LightCROWN improves verification success rates up to 100\%, while enhancing speed and scalability. Our approach provides a generalizable improvement for CROWN-based frameworks, enabling more efficient verification of complex NCBFs. The code can be found at github.com/Autonomous-Systems-and-Control-Lab/verify-neural-CBF.
Authors: Elliot Pickens, Chiraag Gohel, Sidharth Satya
Abstract: In this work, we study TabPFN as a training-free, modular summary network for simulation-based Bayesian inference (SBI). Tabular foundation models such as TabPFN are pretrained on broad families of synthetic tabular data-generating processes and adapt at test time through in-context learning, making them natural candidates for SBI, where posterior estimation often depends on learning informative summaries of simulated observations. We propose PFN-NPE: a general recipe that uses a pretrained TabPFN encoder as a fixed summary network for simulator outputs, then pairs the resulting summaries with a downstream inference head chosen for the problem. With normalizing flows as the default inference head, PFN-NPE matches established posterior approximation methods and sometimes outperforms them. More importantly, diagnostic probes show that the TabPFN-derived summaries often preserve useful posterior location and marginal information. These analyses also reveal a limitation in that TabPFN-derived summaries may struggle to represent the joint posterior structure even when the marginals are well recovered. Still, our experiments show that TabPFN can serve as an effective summary network across a diverse set of SBI settings, with the inference network left modular and task-dependent.
Authors: Noboru Isobe, Daisuke Inoue, Masaaki Imaizumi
Abstract: Transformers perform inference by iteratively transforming token representations across layers. This layerwise computation has been studied empirically, and recent mean-field theories of Transformer dynamics explain how attention can drive token distributions toward clustering. However, existing mean-field analyses largely treat model parameters as prescribed, leaving open how training reshapes this clustering picture. We study this question in a noisy mean-field Transformer in which only a parameter-linear FFN is trained under $L^2$ regularization. We find and analyze a training-induced phase in the dynamics: after initially following attention-driven clustering, the token distribution can leave the clustered regime near the final layers. Our mathematical analysis is based on an entropy-regularized interaction energy that captures the clustering bias of attention. More broadly, our results point toward a training-aware mean-field theory of Transformer dynamics, in which training and inference dynamics are treated together.
Authors: Nicolas Menet, Andreas Krause, Abbas Rahimi
Abstract: Balancing exploration and exploitation is a core challenge in sequential decision-making and black-box optimization. We introduce POETS ($\textbf{Po}$licy $\textbf{E}$nsembles for $\textbf{T}$hompson $\textbf{S}$ampling), a novel framework that bridges uncertainty quantification and policy optimization. Our approach is grounded in the insight that policies trained with Kullback-Leibler (KL) regularization implicitly encode an underlying reward function. Building on this, POETS bypasses the complex, nested process of training an uncertainty-aware reward model and separately fitting a policy to this model. Instead, we directly train a policy ensemble to capture epistemic uncertainty by matching implicitly encoded reward functions to online, bootstrapped data. To overcome the prohibitive compute and memory constraints of ensembling Large Language Models (LLMs), POETS utilizes an efficient architecture: the ensemble shares a pre-trained backbone while maintaining diversity through independent Low-Rank Adaptation (LoRA) branches. Theoretically, we prove that POETS implicitly conducts KL-regularized Thompson sampling and thus inherits strong cumulative regret bounds of ${\mathcal O}(\sqrt{T \gamma_T})$. Empirically, we demonstrate that POETS achieves state-of-the-art sample efficiency across diverse scientific discovery domains, including protein search and quantum circuit design. Furthermore, it improves the optimization trajectories of reinforcement learning, proving particularly robust in off-policy settings with experience replay or in small dataset regimes.
Authors: Nils Gr\"unefeld, Bertram H{\o}jer, Philipp Mondorf, Barbara Plank, Anna Rogers, Christian Hardmeier, Stefan Heinrich, Jes Frellsen
Abstract: Language model (LM) "reasoning", commonly described as Chain-of-Thought or test-time scaling, often improves benchmark performance, but the dynamics underlying this process remain poorly understood. We study these dynamics through the lens of uncertainty quantification by treating the "reasoning" traces, the intermediate token sequences generated by LMs, as evolving model states. We summarize each trace by an uncertainty trace profile: a small set of features describing the shape of the uncertainty signal over its trace, such as its slope and linearity. We find that across five LMs evaluated on GSM8K and ProntoQA, these profiles predict whether a trace yields a correct final answer with AUROC up to 0.807, improving markedly on recent related work. We reach AUROC 0.801 using only the first few hundred tokens of full traces, suggesting that errors can be detected early in the generation. A detailed comparison of correct and incorrect traces further reveals qualitatively distinct uncertainty profiles, with correct traces showing a steeper and less linear decline in uncertainty. Together, the results suggest that our method, grounded in decision-making under uncertainty, provides a principled lens for studying the generative process underlying LM "reasoning".
Authors: Hugo Vigna, Samuel Bontemps
Abstract: The Hessian spectrum of trained deep networks exhibits a characteristic structure: a continuous bulk of near-zero eigenvalues and a small number of large outlier eigenvalues (spikes), confirming the relevance of Random Matrix Theory in deep learning. The spike count matches the number of classes minus one. While prior work has described this structure, no method has exploited it operationally to improve classification performance. We propose Spectral Surgery, a post-hoc optimization method that directly perturbs model weights along spike eigenvectors to rebalance per-class accuracy without retraining. We introduce (i) a spike-class sensitivity matrix that quantifies the directional derivative of each class's accuracy along each spike eigenvector, (ii) a constrained optimization of perturbation coefficients that targets weak classes while preserving strong ones, and (iii) an adaptive amplitude control that raises or lowers the perturbation budget based on iteration-level improvement signals. We obtain encouraging results on CIFAR-10 and ISIC-2019 on both balanced accuracy and standard deviation.
Authors: Vasilis Niarchos, Angelos Sirbu, Sokratis Trifinopoulos
Abstract: Neural operators (NOs) are designed to learn maps between infinite-dimensional function spaces. We propose a novel reframing of their use. By introducing an auxiliary base-space, any finite-dimensional function can be viewed as an operator acting by composition on functions of the base-space. Through a range of benchmarks on analytic functions of increasing complexity and dimensionality, we demonstrate that NOs can match or outperform standard multilayer perceptrons and Kolmogorov--Arnold Networks in accuracy while requiring significantly fewer parameters and training time. As a real-world application, we apply a two-dimensional Tensorized Fourier Neural Operator (TFNO) to the nuclear chart, learning a correction to state-of-the-art nuclear mass models as a partially observed residual field. A TFNO ensemble reaches a held-out root-mean-square error of 198.2 keV, placing it among the best recent neural-network approaches while retaining high parameter efficiency and short training times. More broadly, these results introduce NOs as a scalable framework for finite-dimensional function interpolation, from analytic benchmarks to structured scientific data.
Authors: Xueying Ding, Leman Akoglu
Abstract: Training foundation models is computationally intensive and often slow to converge.We introduce PIQL,Privileged Information for Quick and Quality Learning, the first framework to systematically integrate privileged information (PI) to simultaneously accelerate learning and improve generalization in tabular foundation models (TFMs). We construct two complementary forms of PI: (i) aggregate dataset-level statistics that reduce the burden on in-context learning, and (ii) encodings of the underlying data-generating program, providing knowledge beyond observable data. We further design an architecture that effectively transfers the train-time-only PI by learning to reconstruct it from observed context at inference. We provide a theoretical analysis characterizing conditions under which PI reduces the population-level approximation gap and accelerates convergence in finite-data regimes. Empirical evidence shows that PIQL enables TFMs to achieve faster convergence, lower final loss, and better generalization, in effect, reducing data and compute requirements. Our work establishes PI-guided pretraining as a principled and practical paradigm for improving the efficiency and performance of foundation models.
Authors: Zhicheng Yang, Zhijiang Guo, Yifan Song, Minrui Xu, Yongxin Wang, Yiwei Wang, Xiaodan Liang, Jing Tang
Abstract: On-policy distillation (OPD) leverages dense teacher rewards to enhance reasoning models. However, scaling OPD to long-horizon tasks exposes a critical flaw: as the student's generated prefix inevitably diverges from the teacher's thought process, the teacher's dense reward loses local exploitability. Continuing to generate and evaluate tokens on these ``drifted'' trajectories not only degrades reward quality but also incurs massive computational waste. To address this, we introduce \textbf{Prune-OPD}, a framework that dynamically aligns training budgets with supervision quality. By continuously monitoring the local compatibility between student and teacher predictions (e.g., via top-$k$ overlap), Prune-OPD detects prefix-drift events in real time. Upon detecting severe drift, it monotonically down-weights subsequent unreliable rewards and triggers dynamic rollout truncation. This allows the training process to halt futile generation and reallocate compute strictly to reliable teacher supervision. Across diverse teacher-student combinations, Prune-OPD consistently aligns computation with supervision reliability. When prefix drift makes dense teacher rewards unreliable, it reduces training time by 37.6\%--68.0\% while preserving, and often improving, performance on challenging benchmarks (AMC, AIME, HMMT). When student-teacher compatibility remains high, it automatically preserves long-context supervision by expanding the training window. These results suggest that Prune-OPD improves OPD not by blindly shortening rollouts, but by reallocating computation toward locally exploitable teacher rewards.
Authors: Charlotte Peale, Siddartha Devic, Parikshit Gopalan, Udi Wieder, Aravind Gollakota
Abstract: A key strategy for balancing performance and cost in modern machine learning systems is to dynamically route queries to either a low-cost model or a more expensive oracle (such as a large pretrained model or human expert), an approach known as model routing. In this work we present a new uncertainty-aware router that (1) avoids unnecessary oracle calls on inherently ambiguous queries, and (2) adapts dynamically to different loss functions and cost parameters through simple hyperparameter changes, without retraining. Our method, applicable to any classification setting where multiple independent annotations per input are available, is based on decomposing total uncertainty into irreducible and reducible components using higher-order predictors [Ahdritz et al., 2025]. This enables a unified approach to both routing and abstention: predict with the weak model when uncertainty is low, route to the oracle when reducible uncertainty is high, and abstain when irreducible uncertainty is high. Our router comes with strong theoretical guarantees bounding regret relative to optimal task-specific routers. We conduct experiments on both synthetic and real-world datasets that demonstrate the benefits of our approach in suitable regimes -- in particular, whenever reducible and irreducible uncertainty are not too correlated.
Authors: Kamil Ciosek, Banafsheh Rafiee, Sina Ghiassian, Nicol\`o Felicioni
Abstract: We characterize the minimax rate of estimating the second-order calibration error for binary classification, which quantifies whether a higher-order predictor's epistemic-uncertainty estimate matches the conditional variance of the label probability on its level sets. Our key observation is that the sech perturbation kernel, previously used only to enforce smoothness of calibration functions, in fact makes them analytic in a strip of half-width $h\pi/2$. Polynomial regression then estimates the calibration error at rate $\tilde{O}(1/\sqrt{n})$, with explicit constants, a qualitative improvement over the $O(n^{-1/4})$ rate achievable by bucketing or kernel smoothing. A matching $\Omega(1/\sqrt{n})$ lower bound establishes minimax optimality up to logarithmic factors. As a corollary, we give the first finite-sample guarantee for second-order Platt scaling, yielding a post-hoc procedure that recalibrates both the mean prediction and the epistemic-variance estimate of any higher-order predictor. Along the way, we provide a bucket-free definition of second-order calibration and relate it quantitatively to the bucketed formulation of Ahdritz et al. [2025]. Our experiments confirm the predicted rate and the quality of the recalibrated uncertainties.
Authors: Yuxuan Lou, Yang You
Abstract: Muon improves neural-network training by orthogonalizing matrix-valued updates, but it leaves each layer's update magnitude controlled mostly by a global learning rate. We introduce OrScale, a trust-ratio extension of Muon built on a simple rule: the denominator of a layer-wise ratio should measure the Frobenius norm of the actual parameter-space direction that will be applied. This yields OrScale for general matrix layers and OrScale-LM for language models, where Moonlight shape scaling is combined with one-time per-layer calibration so every trust ratio starts at one. We analyze why three natural Muon-LAMB hybrids fail through shape-degenerate denominators, raw-momentum clip saturation, and decoupled weight-decay runaway, and show that the real-update-direction denominator with coupled weight decay avoids these failures. Theoretically, OrScale admits an O(1/sqrt(T)) nonconvex convergence guarantee in a nuclear-norm criterion, a strict layer-adaptive descent gain under measurable layer heterogeneity, and calibration properties that preserve muP-style learning-rate transfer at initialization. Empirically, OrScale ranks first on CIFAR-10/DavidNet across three seeds, improving Muon from 93.70% to 94.05% validation top-1, and OrScale-LM improves FineWeb-Edu pre-training versus Muon+Moonlight at three of four scales from 125M to 1.1B parameters while outperforming AdamW at every scale.
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: Subrat Prasad Panda, Blaise Genest, Arvind Easwaran
Abstract: Decision Trees (DTs) are widely used in safety-critical domains such as medical diagnosis, valued for their interpretability and effectiveness on tabular data. However, training accurate oblique DTs is challenging due to complex optimization landscapes and overfitting risks, particularly in regression. Recent advances have introduced differentiable formulations that enable gradient-based training and joint optimization of decision boundaries and leaf regressors. Yet, existing approaches typically rely on approximations, either through probabilistic softening of boundaries (soft DTs) or quantized gradients such as the Straight-Through Estimator (STE). To overcome these limitations, we propose DTSemNet, a novel, semantically equivalent, and invertible representation of hard oblique DTs as neural networks. DTSemNet enables end-to-end training with standard gradient descent, eliminating the need for approximations in both classification and regression. While classification aligns naturally with this formulation, regression remains challenging due to the joint optimization of internal nodes and leaf regressors. To address this, we analyze the limitations of STE and introduce an annealed Top-k method that provides accurate gradient signals without approximation. Extensive experiments on classification and regression benchmarks show that DTSemNet-trained oblique DTs outperform state-of-the-art differentiable DTs. Furthermore, we demonstrate that DTSemNet can serve as programmatic DT policies in reinforcement learning environments, thereby broadening their applicability.
Authors: Xingyue Huang, Louis Tichelman, Jinwoo Kim, Krzysztof Olejniczak, \.Ismail \.Ilkan Ceylan
Abstract: Relational learning is a challenging problem that has motivated a wide range of approaches, including graph-based models (e.g., graph neural networks, graph transformers), tabular methods (e.g., tabular foundation models), and sequence-based approaches (e.g., large language models), each with its own advantages and limitations. We propose RelAgent, an LLM-based autonomous data scientist for relational learning, which operates in two phases. In the search phase, an LLM agent uses database, validation, and evaluation workspace tools to construct SQL feature programs and select a predictive model. In the inference phase, the resulting program is executed without further LLM calls. The final predictor consists of SQL queries and a classical model, enabling fast, deterministic, and intrinsically interpretable predictions: features are human-readable queries, and predictions depend only on the resulting query-defined feature map, enabling scalable deployment using standard database systems.
Authors: Hanzaleh Akbari Nodehi, Parsa Moradi, Soheil Mohajer, Mohammad Ali Maddah-Ali
Abstract: Decentralized machine learning often relies on outsourcing computations, such as gradient evaluations, to untrusted worker nodes. Existing robust aggregation methods can mitigate malicious behavior under honest-majority assumptions, but may fail when adversaries control a majority of the workers. We study this adversary-dominated setting through an incentive-oriented framework in which reports are accepted and rewarded only when they are mutually consistent up to a threshold. This turns the adversary from a pure saboteur into a rational agent that trades off increasing estimation error against the risk of rejection and loss of reward. We consider iterative optimization under this model. Unlike one-shot computation, iterative learning requires long-horizon decisions: permissive acceptance rules enable faster early progress but admit more adversarial corruption, while strict rules improve estimation accuracy but cause frequent rejections. We propose \mathsf{VISTA}, an adaptive algorithm that tunes the acceptance threshold using the optimization history. Numerical results show that \mathsf{VISTA} improves convergence over static thresholds. We also provide a rigorous convergence analysis showing that, with suitable incentive-aware adaptation, adversary-dominated decentralized learning can retain the asymptotic convergence behavior of standard SGD without relying on an honest majority.
Authors: Aur\'elien Decelle, Alfonso de Jes\'us Navas G\'omez, Beatriz Seoane
Abstract: Energy-based learning is a powerful framework for generative modelling, but its training is inherently non-convex, leading potentially to sensitivity to initialisation, poor local optima, and unstable gradient dynamics. We present a dynamical analysis of energy-based learning through the lens of the effective model, which can be interpreted as either a generalised Ising model with higher-order interactions or the Fourier expansion of the energy. Under sufficient expressivity, we show that the gradient flow induced by learning strictly positive distributions over binary variables admits two types of fixed points: data-consistent points, which exactly reproduce the target distribution, and spurious points, which satisfy stationarity without matching the target distribution. Around data-consistent points, we show that perturbations are either stable or neutral, with neutral directions leaving the effective model invariant. Finally, we show that gradient dynamics induce a hierarchy in which lower-order interactions are learned before higher-order ones. This provides a mechanistic explanation for the distributional simplicity bias and clarifies why fixed points that are not data-consistent at low orders are not observed in practice.
Authors: Yudong Luo, Erick Delage
Abstract: Optimizing dynamic risk with stochastic policies is challenging in both policy updates and value learning. The former typically requires transition perturbation, while the latter may rely on model-based approaches. To address these challenges, we propose a surrogate policy gradient without transition perturbation under softmax policy parameterization. We further develop model-free value learning methods for dynamic expectile and conditional value-at-risk by leveraging elicitability. Finally, inspired by Expected SARSA and Expected Policy Gradient, a model-free off-policy actor-critic algorithm is constructed. Empirical results in domains with verifiable risk-averse behavior show that our algorithm can learn risk-averse policy and consistently outperforms other existing methods.
Authors: Usevalad Milasheuski, Piero Baraldi, Enrico Zio, Stefano Savazzi
Abstract: Federated Learning (FL) has emerged as a promising paradigm for preserving client data ownership and control over distributed Internet of Things (IoT) environments. While discriminative models dominate most FL use cases, recent advances in generative models -- such as Variational Autoencoders (VAE), Generative Adversarial Networks (GAN), and Diffusion Models (DM) -- offer new opportunities for unsupervised anomaly detection in time series analysis, with relevant applications in predictive maintenance (PdM) in critical industrial infrastructures. In this work, we present a comprehensive analysis of VAEs, GANs, and DMs in the context of federated PdM. We analyze their performance and communication overhead under both full and partial federation setups, where only subsets of model components are shared. Building on this analysis, the paper proposes a novel taxonomy for federated generative models that formalizes partial component sharing as a principled mechanism for model personalization. Our experiments over a real-world time series dataset reveal distinct trade-offs in model utility, stability, and scalability, especially in heterogeneous and bandwidth-constrained FL settings. For the evaluated GAN-based configurations, full federation improves training stability relative to independent local training, although the model remains less robust than the VAE- and DDPM-based alternatives. For DMs, however, partial federation -- especially decoder sharing -- can outperform full federation in bandwidth-constrained, non-IID settings.
Authors: Lucas Nerone Rillo, Zhanhong Jiang, Nastaran Saadati, Aditya Balu, Baskar Ganapathysubramanian, Chinmay Hegde, Soumik Sarkar
Abstract: We present Agentic Decentralized Knowledge Optimization (ADKO), a framework for collaborative black-box optimization across autonomous agents that achieves sample efficiency, privacy preservation, heterogeneous-objective handling, and communication efficiency. Each agent maintains a private Gaussian Process (GP) surrogate trained on local data and communicates only through knowledge tokens-compact, lossy summaries containing directional signals, advantage scores, and optional language-model (LM) insights-without sharing raw data or model parameters. ADKO unifies GP-Upper Confidence Bound (GP-UCB), parallel Bayesian optimization, decentralized learning, and LM-guided discovery. We provide the first formal analysis of dual information loss: token compression, quantified via mutual-information-based fidelity, and LM approximation error, decomposed into bias and stochastic noise. Our main result shows cumulative regret decomposes into GP error, LM bias, LM noise, and compression loss, with necessary and sufficient conditions for sublinear regret. We also propose fidelity-aware token pruning to preserve high-information tokens under memory budget. Experiments on neural architecture search and scientific discovery validate the theory and show consistent improvements over strong baselines.
Authors: Minjae Oh, Sangjun Song, Gyubin Choi, Yunho Choi, Yohan Jo
Abstract: On-Policy Distillation (OPD) has emerged as a dominant post-training paradigm for large language models, especially for reasoning domains. However, OPD remains unstable in practice due to the high gradient variance of its single-sample Monte Carlo estimator, and recipes for stable training are still immature. We propose vOPD (On-Policy Distillation with a control variate baseline), which casts OPD as policy-gradient RL and stabilizes it by introducing a control variate baseline-canonically a value function -- from the RL literature. We show that the OPD value function admits a closed form as the per-token negative reverse KL divergence between the student and the teacher, available directly from the already-computed forward pass with no additional critic or inference. Existing stabilization methods either compute the full token-level reverse KL over the entire vocabulary, adding significant overhead, or restrict it to a top-k support, biasing the objective. vOPD instead preserves the lightweight single-sample estimator, subtracting the value function as a detached baseline to keep the gradient unbiased while reducing variance. Furthermore, we show that a top-k approximation of the baseline further lowers cost without compromising performance. Across mathematical and scientific reasoning benchmarks, vOPD consistently outperforms vanilla OPD and matches the most expensive full-vocabulary baseline, offering an efficient stabilization of On-Policy Distillation through principled RL variance reduction.
Authors: Hayden Helm, Merrick Ohata, Carey Priebe
Abstract: Access to modern generative systems is often restricted to querying an API (the ``black-box" setting) and many properties of the system are unknown to the user at inference time. While recent work has shown that low-dimensional representations of models based on the relationship between their embedded responses to a set of queries are useful for inferring model-level properties, the quality of these representations is highly sensitive to the query set. We introduce the \emph{discriminative factorization} to distinguish between high- and low-quality query sets in the context of black-box model-level classification. Under this framework, the probability of chance-level classification decays exponentially in the query budget. On three auditing tasks, estimated factorization parameters predict the empirical performance decay rate. We conclude by showing that query sets selected using the estimated discriminative field reproduce the empirical ordering of oracle query sets.
Authors: Ozgu Goksu, Nicolas Pugeault
Abstract: Federated Learning (FL) enables decentralised model training across distributed clients without requiring data centralisation. However, the generalisation performance of the global model is usually degraded by data heterogeneity across clients, particularly under limited data availability and class imbalance. To address this challenge, we propose FedQuad, a novel method that explicitly enforces minimising intra-class representations while enabling inter-class splits across clients. By jointly minimising distances between positive pairs and maximising distances between negative pairs, the proposed approach mitigates representation misalignment introduced during model aggregation. We evaluate our method on CIFAR-10, CIFAR-100, and Tiny-ImageNet under diverse non-IID settings and varying numbers of clients, demonstrating consistent improvements over existing baselines. Additionally, we provide a comprehensive analysis of metric learning-based approaches in both centralised and federated environments, highlighting their effectiveness in alleviating representation collapse under heterogeneous data distributions.
Authors: Ahmad Aloradi, Tim Roith, Emanu\"el A. P. Habets, Daniel Tenbrinck
Abstract: Sparse training reduces the memory and computational costs of deep neural networks. However, sparse optimization methods, e.g., those adding an $\ell_1$ penalty, often control sparsity only indirectly through a regularization parameter $\lambda$, whose mapping to the final sparsity rate is non-trivial. In our experiments, we found this parameter sensitivity to be particularly pronounced for Bregman-based optimizers. Specifically, the two variants LinBreg and AdaBreg reach the same sparsity at $\lambda$ values that differ by up to two orders of magnitude, requiring expensive trial-and-error sweeps to achieve a user-specified sparsity. To address this, we propose an adaptive regularization scheme that updates $\lambda$ based on the difference between the model's current sparsity and the target sparsity. We analyze the resulting algorithm and evaluate it on automatic speaker verification with ECAPA-TDNN and ResNet34 on VoxCeleb and CNCeleb. The proposed method reliably achieves sparsity targets ranging between 75% and 99%. It also converges faster than the oracle-tuned non-adaptive baseline during early training and matches or surpasses its final performance in equal error rate. We further show that the adaptive scheme inherits key properties from its non-adaptive counterpart, including improved out-of-distribution robustness over the dense baselines.
Authors: Yixin Chen, Alan Kuhnle
Abstract: Submodular functions -- functions exhibiting diminishing returns -- are central to machine learning. When the objective is monotone and non-negative, the greedy algorithm achieves a tight $63\%$ approximation. But many practical objectives incorporate costs that make them negative on some inputs, and all existing multiplicative guarantees require non-negativity. Prior work handles negativity through additive bounds for the special class of decomposable functions and non-monotonicity through partial-monotonicity parameters, but these address each difficulty in isolation and neither extends the classical structural theory. We extend \emph{curvature} -- a parameter measuring how far a function deviates from linearity -- to all submodular functions, handling both non-monotonicity and negativity through a single classical concept. A greedy algorithm with pruning achieves a curvature-controlled multiplicative ratio for \emph{any} submodular function, including those taking negative values -- the first such guarantee beyond monotonicity and non-negativity. In the non-monotone regime $1 \le c_g < 2.2$, the bound strictly beats the best known uniform ratio of $0.401$ (for non-negative $f$), and it recovers the classical $(1-e^{-c_g})/c_g$ guarantee for monotone functions. A multilinear-extension variant extends the framework to general combinatorial constraints via multilinear relaxation. Experiments on cost-penalized experimental design, coverage, feature selection, and a curvature sweep on Multi-News passage selection support the theory.
Authors: Aristotelis Ballas, Christos Diou
Abstract: Sharpness-aware and gradient-alignment methods have been shown to improve generalization, however each family of methods targets a single geometric property of the loss landscape, while ignoring the other. In this paper, we show that this omission is structurally unavoidable and that both flatness and gradient alignment should be considered in multi-distribution learning settings. Specifically, we derive an excess-risk decomposition that yields two additive leading-order terms: (i) an alignment term, controlled by the trace of $\bar{H}^{-1}\Sigma_g$ and (ii) a curvature term, controlled by $\bar{H}$, where $\bar{H}$ is the average Hessian and $\Sigma_g$ is the covariance of the gradient across distributions. Notably, $\bar{H}$ appears inverted in one and non-inverted in the other. We further show, via a counterexample, that neither quantity bounds the other in general, so no algorithm targeting only one term can guarantee low excess risk. Motivated by this decomposition, we propose SAGE (Spectral-Aware Gradient-Aligned Exploration) that targets both terms. The curvature component replaces SAM's gradient-scaled perturbation with the polar factor of each layer's gradient matrix, computed via Newton-Schulz iteration, so that the ascent step probes all directions with similar magnitude. On the other hand, the alignment component injects isotropic noise at the descent step, the magnitude of which scales with cross-distribution gradient disagreement. Experiments on five domain-generalization and two multi-task learning benchmarks show that the proposed method establishes a new state-of-the-art on DomainBed and acts as a general-purpose improvement to base MTL solvers, remaining competitive with, or even surpassing, state-of-the-art methods.
Authors: Tue M. Cao, Hoang X. Nhat, Raed Alharbi, 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: Amin Karimi Monsefi, Dominic Culver, Nikhil Bhendawade, Manuel R. Ciosici, Yizhe Zhang, Irina Belousova
Abstract: Discrete flow matching generates text by iteratively transforming noise tokens into coherent language, but may require hundreds of forward passes. Distillation uses the multi-step trajectory to train a student to reproduce the process in a few steps. When the student underperforms, the usual explanation is insufficient capacity. We argue the opposite: the trajectory is the bottleneck, not the student. Each training trajectory is built through a chain of blind stochastic jumps with no evaluation of sequence quality; a single bad decision at an early midpoint propagates through subsequent steps, yet the student must imitate the result. Trajectory-Shaped Discrete Flow Matching (TS-DFM) replaces these blind jumps with guided navigation: a lightweight energy compass evaluates candidate continuations at each midpoint, selecting the most coherent. All shaping is training-only; inference cost is unchanged. On 170M-parameter language modeling, the shaped student at 8 steps achieves 32% lower perplexity than the 1,024-step teacher while being 128x faster, with gains consistent across source distributions and three evaluators of increasing scale. TS-DFM achieves the best perplexity of any discrete-generation baseline we compare against, including methods trained on 6x more data or using 5x larger models.
Authors: Xiao Tian, Jue Fan, Rachael Hwee Ling Sim, Bryan Kian Hsiang Low
Abstract: Differential privacy (DP) is widely employed in machine learning to protect confidential or sensitive training data from being revealed. As data owners gain greater control over their data due to personal data ownership, they are more likely to set their own privacy requirements, necessitating individualized DP (IDP) to fulfil such requests. In particular, owners of data from more sensitive subsets, such as positive cases of stigmatized diseases, likely set stronger privacy requirements, as leakage of such data could incur more serious societal impact. However, existing IDP algorithms induce a critical utility imbalance problem: Data from owners with stronger privacy requirements may be severely underrepresented in the trained model, resulting in poorer performance on similar data from subsequent users during deployment. In this paper, we analyze this problem and propose the INO-SGD algorithm, which strategically down-weights data within each batch to improve performance on the more private data across all iterations. Notably, our algorithm is specially designed to satisfy IDP, while existing techniques addressing utility imbalance neither satisfy IDP nor can be easily adapted to do so. Lastly, we demonstrate the empirical feasibility of our approach.
Authors: Sachini Weerasekara, Natasha Darras, Sagar Kamarthi, Colles Price, Jacqueline Isaacs
Abstract: Single-cell representation learning (SCRL) from gene expression data offers a way to uncover the complex regulatory logic underlying cellular function. Inspired by large language models in natural language modeling, several single-cell pretrained models have recently been proposed that treat genes as tokens and cells as sentences. However, these models are fundamentally limited by the long-tailed nature of cell-type distributions and struggle to generalize under covariate shifts in gene expression data. While fine-tuning is often used to mitigate these issues, we observe that performance remains bounded. To address this challenge, we introduce CellRefine, a post-pretraining method that operates between the pretraining and fine-tuning stages of a single-cell foundation model. CellRefine uses a multi-faceted objective that incorporates marker-gene sets as structural priors to guide post-pretraining and refine the latent embedding manifold of cells. Across multiple computational biology tasks, empirical results show that CellRefine consistently improves downstream performance, yielding gains up to 15%.
Authors: Atsushi Nitanda, Dake Bu, Yueming Lyu, Tanya Veeravalli
Abstract: We study Slowly Annealed Langevin Dynamics (SALD), a sampler for tracking a path of moving target distributions and approximating the terminal target through time slowdown. We establish non-asymptotic convergence guarantees via a KL differential inequality, showing that slowdown improves tracking through contraction of intermediate targets and the complexity of the path. Motivated by training-free guided generation with pretrained score-based generative models, we further introduce Velocity-Aware SALD (VA-SALD), which explicitly incorporates the underlying marginal distributions of the pretrained model and uses slowdown to correct the additional deviation induced by guidance. This yields a principled framework for training-free guided generation for diffusion-based and related generative model families, together with convergence guarantees that clarify the roles of intermediate functional inequalities and guidance bias. Code is available at https://github.com/anitan0925/sald.
Authors: Zhengkai Sun, Dibyakanti Kumar, Alejandro F Frangi, Anirbit Mukherjee, Mingfei Sun
Abstract: Transformers have revolutionized machine learning and deploying attention layers in the model is increasingly standard across a myriad of applications. Further, for large models, it is common to implement Low Rank Adaptation (LoRA), whereby a factorized parameterization of them is trained, to achieve a surprisingly beneficial accuracy-size trade-off. In this work, via a unified framework we rigorously establish trainability of such models under stochastic methods. We prove that for any mild regularization, the empirical regression loss on a attention layer and LoRA on a shallow neural net, both induce Poincar\'e inequality for the corresponding Gibbs' measure. Then it follows via invoking recent results that a certain SDE, which mimics the SGD, minimizes the corresponding losses. In both the cases, our first-of-its-kind results of trainability on attention and nets, do not rely on any assumptions on the data or the size of the architecture.
Authors: Hanlin Cai, Kai Li, Houtianfu Wang, Haofan Dong, Yichen Li, Falko Dressler, Ozgur B. Akan
Abstract: Federated fine-tuning (FFT) has emerged as a privacy-preserving paradigm for collaboratively adapting large language models (LLMs). Built upon federated learning, FFT enables distributed agents to jointly refine a shared pretrained LLM by aggregating local LLM updates without sharing local raw data. However, FFT-based LLMs remain vulnerable to model manipulation threats, in which adversarial participants upload manipulated LLM updates that corrupt the aggregation process and degrade the performance of the global LLM. In this paper, we propose an Augmented Model maniPulation (AugMP) strategy against FFT-based LLMs. Specifically, we design a novel graph representation learning framework that captures feature correlations among benign LLM updates to guide the generation of malicious updates. To enhance manipulation effectiveness and stealthiness, we develop an iterative manipulation algorithm based on an augmented Lagrangian dual formulation. Through this formulation, malicious updates are optimized to embed adversarial objectives while preserving benign-like parameter characteristics. Experimental results across multiple LLM backbones demonstrate that the AugMP strategy achieves the strongest manipulation performance among all competing baselines, reducing the global LLM accuracy by up to 26% and degrading the average accuracy of local LLM agents by up to 22%. Meanwhile, AugMP maintains high statistical and geometric consistency with benign updates, enabling it to evade conventional distance- and similarity-based defense methods.
Authors: Fabian Stricker, Jose A. Peregrina, David Bermbach, Christian Zirpins
Abstract: Performance evaluation is essential for assessing the quality of machine learning (ML) models and guiding deployment decisions. In federated learning (FL), assessing the performance is challenging because data are distributed across participants. Consequently, the coordinator must rely on locally computed evaluation metrics and aggregate them to assess the global model. A key challenge is that common aggregation strategies, such as weighted averaging based on the local samples per participant, do not always produce the same results as centralized evaluation. Existing definitions of performance evaluation are largely tailored to accuracy and do not generalize to other metrics, leading to inconsistencies between participant-based and centralized evaluation. However, such discrepancies are inconsistent with the FL objective and lead to a wrong calculation of the metric. To address this issue, we examine the underlying reasons for these discrepancies and propose FLAM, a performance evaluation method based on aggregatable measures that yields the same results as centralized evaluation without the need for a global test dataset.
Authors: Vladimir Vovk
Abstract: Aggregating conformal predictors is a standard way of balancing their predictive and computational efficiency while retaining their validity, at least approximately. An important advantage of conformal e-predictors is that they are easier to aggregate without sacrificing their validity. This paper studies experimentally cross-conformal e-prediction, which is an existing method of aggregating conformal e-predictors, and its modifications that are conceptually simpler and more flexible.
Authors: Ahmad Aghapour, Erhan Bayraktar
Abstract: Diffusion models perform remarkably well on high-dimensional data such as images, often using only a modest number of reverse-time steps. Despite this practical success, existing convergence theory does not fully explain why such samplers remain efficient in high dimensions. Many prior KL guarantees bound the discretization error in terms of the ambient dimension, while other improved results replace this dependence using intrinsic-dimensional or geometric structure assumptions. In this work, we develop an alternative information-theoretic perspective on diffusion sampler convergence. We prove that, for Gaussian mixture targets, the discretization error is controlled by the Shannon entropy of the latent mixture component rather than by the ambient dimension. Consequently, the leading step complexity scales linearly with latent entropy and depends only logarithmically on the second moment of the data. Our analysis also extends to discrete target distributions, where the relevant complexity is the entropy of the target rather than the dimension of the embedding space. These results suggest that diffusion sampling can remain efficient in high-dimensional spaces when the data distribution admits a compact latent representation, as is widely believed to be the case for natural images.
Authors: Antoine Wehenkel, Michael Kagan, Lukas Heinrich, Chris Pollard
Abstract: Neural posterior estimation has emerged as a powerful tool for amortized inference, with growing adoption across scientific and applied domains. In many of these applications, the conditioning variable is a set of observations whose elements depend not only on the target but also on unknown factors shared across the set. Optimal inference therefore requires treating the set jointly, which in turn requires training the estimator at the deployment set size -- a regime where memory and compute quickly become prohibitive. We introduce a simple, theoretically grounded strategy that decouples representation learning from posterior modeling. Our method trains a mean-pool Deep Set on sets of size at most two, producing an encoder that generalizes to arbitrary set sizes. The inference head is then finetuned on pre-aggregated embeddings, making training cost essentially independent of the deployment set size N. Across scalar, image, multi-view 3D, molecular, and high-dimensional conditional generation benchmarks with N in the thousands, our approach matches or outperforms standard baselines at a fraction of the compute.
Authors: Seohyun Lee, Wenzhi Fang, Dong-Jun Han, Seyyedali Hosseinalipour, Christopher G. Brinton
Abstract: Recent works have advanced feedback-based learning systems, whereby a foundation model is able to intake incoming feedback (e.g., a user) to self-improve, creating a self-loop system of training. However, existing works are limited in needing to consider an offline setup to allow for such feedback-based methods, and are further limited in the need of requiring privileged ground-truth contexts for training. Moreover, there is limited consideration of federated learning (FL), which is particularly well-suited for incorporating external feedback across large networks of end users, for example, but requires methods to be efficient for training on resource-constrained edge devices. Therefore, we introduce SPEAR (Self-Play Enhancement via Advantage-Weighted Refinement), an efficient online learning algorithm for federated LLM fine-tuning. SPEAR utilizes a feedback-guided self-play loop to construct naturally contrastive pairs per prompt which are utilized to be trained on (i) standard maximum likelihood on correct completions and (ii) confidence-weighted unlikelihood on tail tokens of incorrect completions. Without the need of expensive group generations and ground-truth contexts for training (i.e., only partial, non-answer feedback), in contrast with existing works, SPEAR can be trained both online and in a resource-efficient manner. We validate SPEAR across various benchmark datasets, demonstrating its superior performance in comparison to state-of-the-art baselines. The implementation code is publicly available at https://github.com/lee3296/SPEAR.
Authors: Chris Elliott, Daniel Murfet
Abstract: These notes introduce the theory of susceptibilities as developed in [arXiv:2504.18274, arXiv:2601.12703] for interpreting neural networks. The susceptibility of an observable $\phi$ to a data perturbation is defined as a derivative of a posterior expectation, which by the fluctuation--dissipation theorem equals a posterior covariance. Different choices of $\phi$ yield different objects: per-sample losses give the influence matrix (the Bayesian influence function of [arXiv:2509.26544]), while component-localized observables give the structural susceptibility matrix that pairs model components with data patterns. The susceptibility matrix is (up to a factor of $n\beta$) the Jacobian of the map from data distributions to structural coordinates; its pseudo-inverse provides a linearized solution to the patterning problem of [arXiv:2601.13548]: finding data perturbations that produce a desired structural change. We motivate the theory from its statistical-mechanical foundations, then give a detailed exposition of susceptibilities, their empirical estimators, and their connection to the geometry of the loss landscape.
Authors: Nicole Ma, Nick Rui
Abstract: We study planning site formation in language models -- where internal representations of structurally-constrained future tokens form during the forward pass, and whether they causally drive generation. Using rhyming-couplet completion as a clean test of forward-looking constraint, we apply two lightweight methods (linear probing and activation patching) across Qwen3, Gemma-3, and Llama-3 at more than ten scales. Probing shows that future-rhyme information is linearly decodable at the line boundary, with signal that strengthens with scale in all three families. Activation patching reveals that only Gemma-3-27B causally relies on this encoding, exhibiting a handoff in which the causal driver migrates from the rhyme word to the line boundary around layer 30. Every other model we test conditions on the rhyme word throughout generation, with near-zero causal effect at the line boundary despite strong probe signal. We localize the Gemma-3-27B handoff to five attention heads through two-stage path patching that recover ~90% of the rhyme-routing capacity at the newline.
Authors: Nikita Dhawan, Daniel Shen, Leonardo Cotta, Chris J. Maddison
Abstract: Causal inference, especially in observational studies, relies on untestable assumptions about the true data-generating process. Sensitivity analysis helps us determine how robust our conclusions are when we alter these underlying assumptions. Existing frameworks for sensitivity analysis are concerned with worst-case changes in assumptions. In this work, we argue that using such pessimistic criteria can often become uninformative or lead to conclusions contradicting our prior knowledge about the world. To demonstrate this claim, we generalize the recent s-value framework (Gupta & Rothenh\"ausler, 2023) to estimate the sensitivity of three different common assumptions in causal inference. Empirically, we find that, indeed, worst-case conclusions about sensitivity can rely on unrealistic changes in the data-generating process. To overcome this, we extend the s-value framework with a new sensitivity analysis criterion: Bayesian Sensitivity Value (BSV), which computes the expected sensitivity of an estimate to assumption violations under priors constructed from real-world evidence. We use Monte Carlo approximations to estimate this quantity and illustrate its applicability in an observational study on the effect of diabetes treatments on weight loss.
Authors: Jingzhan Ge, Ajeeth Vellore, Ajinkya Palwe, Ahsan Khan, David Gorsich, Matthew P. Castanier, SeungYeon Kang, Farhad Imani
Abstract: Multiphoton photoreduction enables high-fidelity fabrication of complex 3D microstructures, yet reliable process-structure-property (PSP) prediction remains difficult because the available data are sparse, heterogeneous, and interaction-dominated. In this regime, conventional feature-vector models are statistically underdetermined, making them prone to spurious correlations, poor regime transfer, and unstable post hoc explanations, whereas mechanistic pipelines depend on calibrated submodels that are rarely available during early process development. We present PSP-HDC, a graph-structured hyperdimensional computing framework that encodes a directed PSP graph as an internal prior for representation, inference, and explanation. A trainable scalar-to-hypervector encoder learns parameter-specific embeddings on a fixed hyperdimensional basis to accommodate heterogeneous scales and noise. Sample representations are then composed through graph-aligned binding and bundling along directed PSP dependencies, and prediction is performed by associative-memory retrieval against class prototypes. Because the same prototype memories support both decision making and attribution, PSP-HDC provides intrinsic explanations at the parameter, group, and within-group levels, while memory alignment and separation quantify prototype formation during training. On sheet-resistance regime prediction for the 3D platform, PSP-HDC achieves an accuracy of 0.910 +/- 0.077 over 1000 random splits and 0.896 under process-fold generalization, outperforming strong baselines.
Authors: Jiaqi Liu, Yifan Ouyang, Zhifei Song, Sim Kuan Goh, Ashwaq Qasem
Abstract: Test-Time Adaptation (TTA) aims to improve time series forecasting under distribution shifts by using limited observations revealed during inference. However, forecasting TTA must operate in a source-free online setting, where the adaptation signal is short, temporally correlated, and potentially noisy. Existing methods can therefore suffer from weak identifiability, error accumulation, and unstable long-horizon corrections when the revealed prefix is sparse or contaminated. To address these issues, we propose STEPS, a Smooth Temporal Error Propagation Solver for TTA in time-series forecasting. STEPS reformulates forecasting TTA as a Dirichlet Boundary Value Problem on a temporal manifold, where the revealed prefix error serves as the boundary condition for the unknown future error field. Then, STEPS solves a smooth and bounded correction field in prediction space: a Local Solver propagates prefix errors under temporal smoothness, a Global Solver retrieves stable cross-window error memory and Spatiotemporal Manifold Fusion (SMF) integrates both solutions into the final correction. Across six standard benchmarks and four frozen backbones, STEPS achieves an average relative MSE reduction of 26.82% over the zero-shot backbone, exceeding the strongest compared TTA baseline by 12.77%. Additional sparse prefix and contamination tests confirm the robustness of STEPS under limited and noisy prefixes.
Authors: Chris Elliott, Einar Urdshals, David Quarel, Daniel Murfet
Abstract: Susceptibilities are a technique for neural network interpretability that studies the response of posterior expectation values of observables to perturbations of the loss. We generalize this construction to the setting of the regret in deep reinforcement learning and investigate the utility of susceptibilities in a simple gridworld model that nevertheless exhibits non-trivial stagewise development. We argue that susceptibilities reveal internal features of the development of the model in parameter space that one cannot detect purely by studying the development of the learned policy. We validate these results with activation-steering, and discuss the framework's extension to RLHF post-training.
Authors: Zezheng Lin, Fengming Liu
Abstract: Mechanistic interpretability papers increasingly use causal vocabulary: circuits, mediators, causal abstraction, monosemanticity. Such claims require explicit identification assumptions. A purposive audit of 10 papers across four methodological strands finds no dedicated identification-assumptions section and a recurring pattern: validation metrics such as faithfulness, completeness, monosemanticity, alignment, or ablation effects are reported as causal support without stating the assumptions that make them identifying. A two-human-coder audit on $n=30$ reproduces the direction of the main finding: dedicated identification sections are absent, and validation-metric substitution is common, though exact Dim B/D counts are coding-rule sensitive. The paper proposes a disclosure norm: state whether the claim is causal, name the identification strategy, enumerate assumptions, stress at least one, and explain how conclusions shift if assumptions fail. Validation is not identification.
Authors: Eunhan Ka, Ludovic Leclercq, Satish V. Ukkusuri
Abstract: Traffic state estimation from sparse fixed sensors is challenging because physics-informed neural networks (PINNs) tend to over-smooth the shockwaves admitted by the Lighthill-Whitham-Richards (LWR) model. This study proposes Adaptive Domain Decomposition Physics-Informed Neural Networks (ADD-PINN), a two-stage residual-guided framework for LWR-based offline speed-field reconstruction. A coarse global PINN is first trained; its spatial residual profile is then used to place subdomain boundaries and initialize child subnetworks in a decomposition-enabled mode, while a data-driven shock indicator can retain a single-domain fallback when localized evidence of transition is weak. The primary offline I-24 MOTION evaluation spans five days, five sensor configurations, and ten seeds per configuration, yielding 1,500 runs in total. Against neural and physics-informed baselines, ADD-PINN attains the lowest relative L2 error in 18 of 25 configurations and in 14 of 15 sparse-sensing cases, while training 2.4 times faster than the extended PINN (XPINN) baseline. An ablation study supports spatial-only decomposition as an effective default for fixed-sensor traffic reconstruction in the evaluated settings. Supplementary Next Generation Simulation (NGSIM) experiments serve as a negative control: the shock indicator suppresses decomposition in all 50 runs, and the default single-domain fallback ranks first across all sensor configurations. These results support residual-guided spatial decomposition as an effective PINN-family design for offline reconstruction when sparse fixed sensing coincides with localized transition regions.
Authors: Mads Greisen H{\o}jlund, August Smart Lykke-M{\o}ller, Henry Moss, Ove Christiansen
Abstract: We introduce CUTS-GPR, a new method for performing numerically exact Gaussian process regression (GPR) in high-dimensional settings. The key component of CUTS-GPR is an extremely fast kernel matrix-vector product, which exhibits near-linear or even linear scaling with the amount of training data, $N$, and low-order polynomial scaling with dimensionality, $D$. This is obtained by combining an additive kernel with an incomplete grid and exploiting the resulting structure of the kernel matrix. We demonstrate the scalability of the matrix-vector product by running benchmarks with billions of data points and thousands of dimensions. Full GPR calculations, including hyperparameter optimization, are completed in a matter of hours for $N = 447 265$ and $D = 24$. We demonstrate that our CUTS-GPR enables Bayesian modeling of high-dimensional potential energy surfaces - a longstanding challenge in computational chemistry.
Authors: Ning Liu, Chuanneng Sun, Kristina Klinkner, Shervin Malmasi
Abstract: Direct Preference Optimization (DPO) aligns language models using pairwise preference comparisons, offering a simple and effective alternative to Reinforcement Learning (RL) from human feedback. However, in many practical settings, training data consists of multiple rollouts per prompt, inducing rich preference structure that pairwise DPO fails to exploit. Collapsing such data into independent pairs discards transitivity, introduces redundant or conflicting supervision, and can lead to unstable optimization. We propose Graph Direct Preference Optimization (GraphDPO), a principled generalization of DPO that operates over directed acyclic preference graphs induced by rollout rankings. GraphDPO encodes dominance relations as edges and optimizes a graph-structured Plackett--Luce-inspired objective that aggregates supervision over graph neighborhoods, enforcing transitivity while recovering standard DPO as a special case. To handle discrete or sparse signals, we introduce an equivalence-class construction where responses with identical preferences form graph layers, and intra-layer edges contribute zero loss, preventing spurious gradients. Despite leveraging full graph structure, GraphDPO maintains linear per-prompt complexity via efficient log-sum-exp aggregation. We further incorporate optional ground-truth anchoring by inserting verified solutions as dominant nodes and applying an annealed schedule that stabilizes early training while gradually relaxing oracle supervision. Experiments on reasoning and program synthesis tasks demonstrate superior performance, suggesting that graph-structured preference modeling is a scalable and robust alternative to pairwise and listwise alignment objectives.
Authors: Gugan Thoppe, L. A. Prashanth, Ankur Naskar, Sanjay Bhat
Abstract: Reinforcement learning (RL) for exponential-utility optimization in discounted Markov decision processes (MDPs) lacks principled value-based algorithms. We address this gap in the fixed risk-aversion setting. Building on the Bellman-type equation for exponential utility studied in \cite{porteus1975optimality}, we derive two Q-value-style extensions and show that the associated operators are contractions in the $L_\infty$ and sup-log/Thompson metrics, respectively. We characterize their fixed points and prove that the induced greedy stationary policy is optimal for the exponential-utility objective among stationary policies. These structural results lead to two model-free algorithms: a two-timescale Q-learning--style algorithm, for which we establish almost-sure convergence and provide finite-time convergence rates via timescale separation, and a one-timescale algorithm governed by a sublinear power-law operator. Since the latter does not admit a global contraction in standard metrics, we prove its convergence using delicate arguments based on local Lipschitzness, monotonicity, homogeneity, and Dini derivatives, and provide a scalar finite-time analysis that highlights the challenges in obtaining convergence rates in the vector case. Our work provides a foundation for value-based RL under exponential-utility objectives.
Authors: Peyman Baghershahi, Fangxin Wang, Debmalya Mandal, Sourav Medya
Abstract: Conformal prediction (CP) provides a distribution-free approach to uncertainty quantification with finite-sample guarantees. However, applying CP to graph neural networks (GNNs) remains challenging as the combinatorial nature of graphs often leads to insufficiently certain predictions and indiscriminative embeddings. Existing methods primarily rely on embedding-space proximity for localization, which can be unreliable for graphs and yield inefficient prediction sets. We propose GRAPHLCP, a proximity-based localized CP framework that explicitly incorporates graph topology and inter-node dependencies into localization and weighting. Our approach introduces a feature-aware densification step to mitigate locality bias in sparse graphs, followed by a Personalized PageRank-based kernel computation to model structural proximity. This enables topology-dependent anchor sampling and calibration weighting that captures both local and long-range dependencies. Extensive experiments on several regression and classification datasets demonstrate that GRAPHLCP guarantees marginal coverage with finite samples while efficiently attaining favorable test conditional coverage across various conditioning scenarios.
Authors: Maryam Maghsoudi, Shihab Shamma
Abstract: Decoding imagined speech from non-invasive brain recordings is challenging because imagined datasets are scarce and difficult to align temporally across subjects and sessions In this work, we propose a new approach to the decoding of imagined speech that leverages the richer and more reliably labeled recordings during listening to speech. We collected paired listened and imagined MEG recordings to rhythmic melodic and spoken stimuli from trained musicians. Using trained musicians helped improve temporal alignment across conditions. We then developed a three-stage decoding pipeline that revealed consistent and meaningful relationships between neural activity evoked by imagining and listening to the same stimuli. First, we trained six linear and neural models to map imagined MEG responses to listened responses. We evaluated these models against a null baseline from unseen subjects to validate that the predicted-listening responses preserve stimulus-specific information. In the second stage, we trained a contrastive word decoder exclusively on the listened MEG responses, and evaluated it using four embedding strategies including semantic, acoustic, and phonetic representations. In the third stage, we process the imagined MEG responses from held-out subjects through the mapping pipeline to compute the corresponding listening responses that are then decoded by the listened decoder. Using rank-based analysis, we show that the imagined words are decodable significantly above chance. We shall report here the results of a proof-of-concept implementation to decode imagined speech, where all evaluations are performed on held-out subjects. We also demonstrate that performance improves with training data size, suggesting that this approach is scalable and can directly be made applicable to realistic brain-computer interface scenarios.
Authors: Hanyu Gao, Bin Cao, Yunyue Su, Tong-Yi Zhang, Qiang Liu
Abstract: Multiphase powder X-ray diffraction (PXRD) analysis remains a fundamental bottleneck in structure identification, as real-world synthesis often produces complex mixtures whose constituent phases (components) cannot be reliably disentangled. While recent advances in representation-based crystal retrieval and generation suggest the possibility of inferring structures directly from PXRD, existing approaches largely assume single-phase inputs and break down in multiphase settings. Here, we present XDecomposer, a prior-free framework for joint decomposition and identification of multiphase XRD patterns without requiring candidate phase lists, structural templates, or prior knowledge of phase number. We formulate multiphase diffraction analysis as a set prediction problem, where the model infers an unordered set of phase-resolved components, their mixture proportions, and corresponding structural representations within a unified architecture. A phase-query-driven decomposition mechanism, together with diffraction-consistent physical reconstruction, enables accurate source separation while preserving crystallographic fidelity. Extensive experiments on both simulated and experimental datasets show that XDecomposer substantially improves reconstruction accuracy and phase identification across diverse chemical systems, while maintaining strong generalization to unseen mixtures. These results provide a practical route toward data-driven, source-resolved multiphase XRD analysis and reduce long-standing dependence on prior-guided iteratively phase matching. The code is openly available at https://github.com/Licht0812/XDecomposer
Authors: Zhexuan Wang, Xuebo Liu, Li Wang, Zifei Shan, Yutong Wang, Zhenxi Song, Min Zhang
Abstract: Large language model (LLM)-based Multi-agent systems (MAS) have shown promise in tackling complex collaborative tasks, where agents are typically orchestrated via role-specific prompts. While the quality of these prompts is pivotal, jointly optimizing them across interacting agents remains a non-trivial challenge, primarily due to the misalignment between local agent objectives and holistic system goals. To address this, we introduce MASPO, a novel framework designed to automatically and iteratively refine prompts across the entire system. A core innovation of MASPO is its joint evaluation mechanism, which assesses prompts not merely by their local validity, but by their capacity to facilitate downstream success for successor agents. This effectively bridges the gap between local interactions and global outcomes without relying on ground-truth labels. Furthermore, MASPO employs a data-driven evolutionary beam search to efficiently navigate the high-dimensional prompt space. Extensive empirical evaluations across 6 diverse tasks demonstrate that MASPO consistently outperforms state-of-the-art prompt optimization methods, achieving an average accuracy improvement of 2.9. We release our code at https://github.com/wangzx1219/MASPO.
Authors: Alexandre Cristov\~ao Maiorano
Abstract: Educational LLM tutors face a core AI alignment challenge: they must follow user intent while preserving pedagogical constraints and safety policies. We present an evaluation methodology for prompt-injection defenses in this setting, showing that guardrail design entails explicit trade-offs among adversarial robustness, benign-task usability, and response latency. We evaluate a domain-specific multi-layer safeguard pipeline combining deterministic pattern filters, structural validation, contextual sandboxing, and session-level behavioral checks. On a controlled holdout benchmark with 480 queries (369 injection, 111 benign), the pipeline reaches 46.34% bypass, 0.00% false positive rate, and 2.50 ms average latency -- an operating point that prioritizes pedagogical usability (zero false positives) while maintaining measurable attack resistance. We provide a reproducible benchmark protocol for head-to-head comparison under identical conditions, including stratified bootstrap confidence intervals, paired McNemar significance tests, and direct evaluation of Prompt Guard and NeMo Guardrails on the same split with unified instrumentation. Results expose operational trade-offs: NeMo reaches 0% bypass at 16.22% FPR and 1.3s latency, while Prompt Guard yields 38.48% bypass with 3.60% FPR. The framework supports evidence-based guardrail selection for AI tutoring systems under different institutional risk and usability requirements.
Authors: Xiao Wang
Abstract: Chain-of-thought (CoT) reasoning and reasoning-tuned models such as DeepSeek-R1 are commonly assumed to reduce shallow heuristic biases by thinking carefully. We test this on position bias in multiple-choice QA and find a different story: within any reasoning-capable model, per-question position bias scales with the length of the reasoning trajectory. Across thirteen reasoning-mode configurations (two R1-distilled 7-8B models, two base models prompted with CoT, and DeepSeek-R1 at 671B) on MMLU, ARC-Challenge, and GPQA, twelve show a positive partial correlation between trajectory length and Position Bias Score (PBS) after controlling for accuracy, ranging from 0.11 to 0.41 (all p < 0.05). All twelve open-weight reasoning-mode configurations show monotonically increasing PBS across length quartiles. A truncation intervention provides causal evidence: continuations resumed from later points in the trajectory are increasingly likely to shift toward position-preferred options (16% to 32% for R1-Qwen-7B across absolute-position buckets). At 671B, aggregate PBS collapses to 0.019, but the length effect still manifests in the longest quartile (PBS = 0.071), suggesting that accuracy gates the expression of length-driven bias rather than eliminating the underlying mechanism. We additionally find that direct-answer position bias is a distinct phenomenon with a different footprint (strong in Llama-Instruct-direct, weak in Qwen-Instruct-direct, and uncorrelated with trajectory length): CoT reasoning replaces this baseline bias with length-accumulated bias. Our results argue that reasoning-capable models should not be treated as order-robust by default in MCQ evaluation pipelines, and offer a diagnostic toolkit (PBS, commitment change point, effective switching, truncation probes) for auditing position bias in reasoning models.
Authors: Jon-Paul Cacioli
Abstract: Aggregate metacognitive quality scores mask within-model variation across MMLU benchmark domains. We administered 1,500 MMLU items (250 per domain, under an a priori six-domain grouping) to 33 frontier LLMs from eight model families and computed Type-2 AUROC per model-domain cell using verbalized confidence (0-100). Total observations: 47,151. Every model with above-chance aggregate monitoring showed non-trivial domain-level variation. Applied/Professional knowledge was reliably the easiest benchmark domain to monitor (mean AUROC = .742, ranked top-2 in 21 of 33 models); Formal Reasoning and Natural Science were reliably the hardest (one of the two ranked bottom-2 in 27 of 33 models). The three middle domains were statistically indistinguishable (Kendall's W = .164). A subject-level coherence analysis (within-domain similarity ratio = 0.95) confirms the six-domain grouping is a pragmatic benchmark taxonomy, not a validated latent construct. Within-family profile-shape clustering is significant for Anthropic, Google-Gemini, and Qwen (permutation p < .0001) but not DeepSeek, Google-Gemma, or OpenAI. Gemma 4 31B showed a +.202 AUROC improvement over Gemma 3 27B. Three models classified Invalid on binary KEEP/WITHDRAW probes produced normal profiles under verbalized confidence, confirming probe-format specificity. Bootstrap 95% CIs on 198 cells have median width .199. Split-half aggregate stability r = .893; profile-level split-half is weaker (grand median r = .184). These results show stable benchmark-domain variation obscured by aggregate metrics, and support benchmark-stage domain screening as a step before deployment in specific application areas.
Authors: Debashis Guha, Amritendu Mukherjee, Sanjay Kukreja, Tarun Kumar
Abstract: Recursive reasoning systems alternate between acquiring new evidence and refining an accumulated understanding. Two design choices are typically left implicit: how to represent the evolving reasoning state, and when to stop iterating. This paper addresses both. We represent the reasoning state as an epistemic state graph encoding extracted claims, evidential relations, open questions, and confidence weights. We define the order-gap as the distance between the states reached by expand-then-consolidate versus consolidate-then-expand; a small order-gap suggests that the two orderings agree and further iteration is unlikely to help. Our main result gives a necessary and sufficient condition for the linearised order-gap to be non-degenerate near the fixed point, showing when the criterion is informative rather than algebraically vacuous. This is a local condition, not a global convergence guarantee. We apply the framework to recursive reasoning systems and sketch its application to agent loops, tree-of-thought reasoning, theorem proving, and continual learning.
Authors: Cameron Berg, Susan L. Schneider, Mark M. Bailey
Abstract: Collections of interacting AI agents can form coalitions, creating emergent group-level organization that is critical for AI safety and alignment. However, observing agent behavior alone is often insufficient to distinguish genuine informational coupling from spurious similarity, as consequential coalitions may form at the level of internal representations before any overt behavioral change is apparent. Here, we introduce a practical method for detecting coalition structure from the internal neural representations of multi-agent systems. The approach constructs a pairwise mutual-information graph from the hidden states of agents and applies spectral partitioning to identify the most salient coalition boundary. We validate this method in two domains. First, in multi-agent reinforcement learning environments, the method successfully recovers programmed hierarchical and dynamic coalition structures and correctly rejects false positives arising from behavioral coordination without informational coupling. Second, using a large language model, the method identifies coalition structures implied by descriptive prompts, tracks dynamic team reassignments, and reveals a representational hierarchy where explicit labels dominate over conflicting interaction patterns. Across both settings, the recovered partition reveals subgroup organization that a scalar cross-agent mutual-information measure cannot distinguish. The results demonstrate that analyzing hidden-state mutual information through spectral partitioning provides a scalable diagnostic for identifying representational coalitions, offering a valuable tool for monitoring emergent structure in distributed AI systems.
Authors: Daniel Mensing, Jan Kapar, Jochen G. Hirsch, Matthias G\"unther, Horst Hahn, Marvin N. Wright
Abstract: We propose a multimodal latent diffusion model that jointly synthesizes volumetric magnetic resonance imaging (MRI) and tabular clinical data within a shared latent space via cross-attention. This approach enables coherent joint representation learning of MRI and tabular modalities for generative modeling. Our model utilizes a variational autoencoder to fuse the two modalities before diffusion-based synthesis, allowing modality-appropriate reconstruction with separate decoders for MRI and tabular data. We evaluated the framework on data from the German National Cohort (NAKO Gesundheitsstudie), comprising over 10,000 participants with MRI scans and clinical tabular features such as age, sex, body measurements, and ethnicity. The generated MRI volumes exhibited anatomical plausibility and body composition consistent with the synthesized tabular attributes. Quantitative evaluation using Fr\'echet distance and precision-recall metrics confirmed high-fidelity image generation. In the tabular modality, our model outperformed CTGAN across standard evaluation metrics and achieved results comparable to TVAE, demonstrating competitive performance relative to established unimodal baselines. This work is, to our knowledge, the first to demonstrate the feasibility of jointly modeling MRI and mixed-type tabular data in a single latent diffusion framework, offering a proof-of-concept for generating coherent synthetic multimodal patient data and aligning with the broader goal of developing digital twins in healthcare.
Authors: Siyuan Guo, Yali Du, Hechang Chen, Yi Chang, Jun Wang
Abstract: Large language models (LLMs) have become a central foundation of modern artificial intelligence, yet their lifecycle remains constrained by a rigid separation between training and deployment, after which learning effectively ceases. This limitation contrasts with natural intelligence, which continually adapts through interaction with its environment. In this paper, we formalise deployment-time learning (DTL) as the third stage in the LLM lifecycle that enables LLM agents to improve from experience during deployment without modifying model parameters. We present CASCADE (CASe-based Continual Adaptation during DEployment), a general and principled framework that equips LLM agents with an explicit, evolving episodic memory. CASCADE formulates experience reuse as a contextual bandit problem, enabling principled exploration-exploitation trade-offs and establishing no-regret guarantees over long-term interactions. This design allows agents to accumulate, select, and refine task-relevant cases, transforming past experience into actionable knowledge. Across 16 diverse tasks spanning medical diagnosis, legal analysis, code generation, web search, tool use, and embodied interaction, CASCADE improves macro-averaged success rate by 20.9% over zero-shot prompting while consistently outperforming gradient-based and memory-based baselines. By reframing deployment as an adaptive learning process, this work establishes a foundation for continually improving AI systems.
Authors: Abbas El Gamal, Maxim Raginsky
Abstract: Information theory plays a central role in establishing fundamental limits on what any learning or estimation algorithm can -- and cannot -- achieve, regardless of computational power. In this chapter, we provide an introduction to these connections. End-of-chapter exercises makes the material suitable for both classroom use and self-study. We begin by introducing concentration inequalities along with the notions of covering and packing in metric spaces, and the associated concept of metric entropy. These tools are essential for our analysis. We then introduce the learning-theoretic framework and derive upper bounds on generalization error in terms of metric entropy, Rademacher complexity, and the VC dimension, as well as mutual information and relative entropy. Finally we discuss the minimax estimation framework and establish lower bounds on minimax risk using Fano's inequality, yielding bounds in terms of relative entropy and covering and packing numbers. This manuscript contains preprint of a chapter under consideration for inclusion in the forthcoming third edition of Cover and Thomas's Elements of Information Theory, posted with permission from Wiley. It would follow the chapter posted at arXiv:2605.02989 . The table of contents of the new edition can be found at: https://docs.google.com/document/d/1L-m4oQEJw1PJhoxBeMwrrBD8S_HmvzMEkPbYvS24980/edit?usp=sharing . For feedback, please contact abbas@ee.stanford.edu.
URLs: https://docs.google.com/document/d/1L-m4oQEJw1PJhoxBeMwrrBD8S_HmvzMEkPbYvS24980/edit?usp=sharing
Authors: Parthajit Borah, Upasana Sarmah, D. K. Bhattacharyya, J. K. Kalita
Abstract: Malware and malware-based attacks are becoming more prevalent and complex. Attackers regularly come up with new techniques that have the ability to evade conventional and signature-based malware defense. In order to address such threats, there is an increasing demand for advanced and better defense solutions. Machine learning-based techniques are efficiently capable of defending against malware and malware-based attacks. Nevertheless, creating and efficiently testing such techniques demand high-quality datasets having samples of various malware families as well as goodware. The lack of such datasets continues to be a major bottleneck in malware research. In this paper, we introduce TUANDROMD-X, a multiclass malware dataset with visual and entropy-based features of each sample, distinctly identifying malware from goodware. The dataset is created based on static analysis, lowering the overhead that comes with high feature engineering and dynamic analysis. As a result, TUANDROMD-X facilitates researchers and cyber-security experts to design faster and better malware detection systems.
Authors: Long Zhang, Wei-neng Chen, Feng-feng Wei, Zi-bo Qin
Abstract: Language models often generate reasoning before giving a final answer, but the visible answer does not reveal when the model's answer preference became stable. We study this question through a narrow computable object: \emph{finite-answer preference stabilization}. For a model state and specified answer verbalizers, we project the model's own continuation probabilities onto a finite answer set; in binary tasks this yields an exact log-odds code, $\delta(\xi)=S_\theta(\mathrm{yes}\mid\xi)-S_\theta(\mathrm{no}\mid\xi)$. This target defines parser-based answer onset, retrospective stabilization time, and lead without relying on greedy rollouts or learned probes. In controlled delayed-verdict tasks with Qwen3-4B-Instruct, the contextual finite-answer projection stabilizes before the answer is parseable, with 17--31 token mean lead in the main templates and positive, shorter lead in a parser-clean replication. The signal tracks the model's eventual output rather than truth, is linearly recoverable from compact hidden summaries, is partly separable from cursor progress, and transfers as shared information without a single invariant coordinate. Diagnostics separate the measurement from online stopping, verbalizer-free belief, and causal answer control; exact steering shows local sensitivity of $\delta$ but not reliable generation control.
Authors: Xiaoyu Xu, Minxin Du, Qipeng Xie, Haobin Ke, Qingqing Ye, Haibo Hu
Abstract: Personalized LLM agents maintain persistent cross-session state to support long-horizon collaboration. Yet, this persistence introduces a subtle but critical security vulnerability: routine user-agent interactions can gradually reshape an agent's long-term state, inadvertently weakening future confirmation boundaries, expanding tool-use defaults, and escalating autonomous behavior over time. We formalize this risk as \textbf{unintended long-term state poisoning}. To systematically study it, we introduce the \textbf{Unintended Long-Term State Poisoning Bench (ULSPB)}, a bilingual benchmark comprising $350$ settings spanning five assistance categories, seven interaction patterns, 24-turn routine interactions, and matched single-injection counterparts. Furthermore, we define the \emph{Harm Score} (HS), a state-centric metric that quantifies \emph{authorization drift}, \emph{tool-use escalation}, and \emph{unchecked autonomy}. Experiments on OpenClaw with four backbone LLMs demonstrate that, while single-injection is generally effective, routine conversations alone can substantially poison long-term state, primarily corrupting memory-centric artifacts. Evaluations seeded with real-world user interactions confirm that this risk is not a mere artifact of synthetic prompts. To mitigate this threat, we propose \textbf{StateGuard}, a lightweight, post-execution defense that audits state diffs at the writeback boundary and selectively rolls back dangerous edits. Across all evaluated models, StateGuard reduces HS to near zero and lowers false-negative rates, with acceptable high false-positive rates under a safety-first writeback defense and minimal overhead.
Authors: Zhifeng Gu, Yuqi Wang, Bing Wang
Abstract: Relative spatial relations provide a compact representation of spatial structure and are fundamental to relative spatial reasoning in 3D layout generation. Recent works leverage Multimodal Large Language Models (MLLMs) to infer such relations, but the inferred relations are often unreliable and are typically handled with post-hoc heuristics. In this paper, we propose R$^3$L, a general framework that improves the reliability and consistency of relative spatial reasoning for 3D layout generation. Our key motivation is that multi-hop reasoning requires repeated reference-frame transformations, which accumulate errors in inferred relations and lead to semantic and metric drift. To mitigate this, we propose invariant spatial decomposition to break coupled relation chains, and consistent spatial imagination to promote self-consistency through an imagine-and-revise loop. We further introduce supportive spatial optimization to ease pose optimization via global-to-local coordinate re-parameterization. Extensive experiments across diverse scene types and instructions demonstrate that R$^3$L produces more physically feasible and semantically consistent layouts. Notably, our analysis shows that resolving frame-induced inconsistencies is crucial for reliable multi-hop relative spatial reasoning. The code is available at https://github.com/Neal2020GitHub/R3L.
Authors: O\u{g}uzhan Fatih Kar, Roman Bachmann, Yuanzheng Gong, Anders Boesen Lindbo Larsen, Afshin Dehghan
Abstract: The web is complex, open-ended, and constantly changing, making it challenging to scale training data for visual web agents. Existing data collection attempts remain limited to offline trajectories for supervised fine-tuning or a handful of simulated environments for RL training, thus failing to capture web diversity. We propose Weblica (Web Replica), a framework for constructing reproducible and scalable web environments. Our framework leverages 1) HTTP-level caching to capture and replay stable visual states while preserving interactive behavior and 2) LLM-based environment synthesis grounded in real-world websites and core web navigation skills. Using this framework, we scale RL training to thousands of diverse environments and tasks. Our best model, Weblica-8B, outperforms open-weight baselines of similar size across multiple web navigation benchmarks while using fewer inference steps, scales favorably with additional test-time compute, and is competitive with API models.
Authors: Ali Salamatian, Anthony Fuller, Pritam Sarkar, James R. Green, Leonid Sigal, Evan Shelhamer
Abstract: Transformers dominate video recognition. They split videos into tokens, and processing them has expensive superlinear computational cost. Yet videos are filled with redundancy, so we can question the need for this expense. We introduce LookWhen, a selector-extractor framework that factorizes video recognition into learning when, where, and what to compute. Our shallow selector gets a scaled-down video and quickly scores all tokens across space-time, while our deep extractor gets the top-K selected tokens to approximate full-video representations without actually processing all the tokens. A key challenge is defining effective supervision for selection and extraction. For selection pre-training, we introduce a score on representations that ranks tokens by uniqueness using a simple nearest-neighbor distance. For extraction pre-training, we distill both a video teacher and an image teacher, for which we normalize its frame-wise representations to learn what changes within videos. Through these strategies, our selector-extractor learns general and efficient representations for feature extraction or fine-tuning to a task. Through experiments on Kinetics-400, SSv2, Epic-Kitchens, Diving48, Jester, and Charades, we show that LookWhen achieves a better accuracy-computation trade-off than efficient models and upgraded baselines of similar size. LookWhen Pareto-dominates in accuracy-FLOPs on 9 of 12 cases (6 tasks x 2 settings) and roughly matches on 3. In accuracy-throughput, measuring time in practice, LookWhen is more efficient still at 6.7x faster than InternVideo2-B at equal accuracy.
Authors: Yuwei Yin, Chuyuan Li, Giuseppe Carenini
Abstract: Accurately understanding the intent behind speech, conversation, and writing is crucial to the development of helpful Large Language Model (LLM) assistants. This paper introduces IntentGrasp, a comprehensive benchmark for evaluating the intent understanding capability of LLMs. Derived from 49 high-quality, open-licensed corpora spanning 12 diverse domains, IntentGrasp is constructed through source datasets curation, intent label contextualization, and task format unification. IntentGrasp contains a large-scale training set of 262,759 instances and two evaluation sets: an All Set of 12,909 test cases and a more balanced and challenging Gem Set of 470 cases. Extensive evaluations on 20 LLMs across 7 families (including frontier models such as GPT-5.4, Gemini-3.1-Pro, and Claude-Opus-4.7) demonstrate unsatisfactory performance, with scores below 60% on All Set and below 25% on Gem set. Notably, 17 out of 20 tested models perform worse than a random-guess baseline (15.2%) on Gem Set, while the estimated human performance is ~81.1%, showing substantial room for improvement. To enhance such ability, this paper proposes Intentional Fine-Tuning (IFT), which fine-tunes the models on the training set in IntentGrasp, yielding significant gains of 30+ F1 points on All Set and 20+ points on Gem Set. Tellingly, the leave-one-domain-out (Lodo) experiments further demonstrate the strong cross-domain generalizability of IFT, verifying that it is a promising approach to substantially enhancing the intent understanding of LLMs. Overall, by benchmarking and boosting intent understanding ability, this study sheds light on a promising path towards more intentional, capable, and safe AI assistants for human benefits and social good.
Authors: Qinshi Zhang (University of California, San Diego), Weipeng Deng (University of Hong Kong), Zhihan Jiang (Columbia University), Jiaming Qu (Amazon), Qianren Li (City University of Hong Kong), Weitao Xu (City University of Hong Kong), Ray LC (City University of Hong Kong)
Abstract: In model-based learning, the agent learns behaviors by simulating trajectories based on world model predictions. Standard world models typically learn a stationary transition function that maps states and actions to next states, when an action and an outcome frequently co-occur in training data, the model tends to internalize this correlation as a general causal rule while ignoring action preconditions. In interactive environments, however, agent actions can reshape the future affordance space. At each timestep, an action may becomes executable only after its prerequisites are met, or non-executable when they are destroyed. We term such events structure-changing events (SC events). As a result, a conventional world model often fails to determine whether a given action is executable in the current state, especially in multi-step predictions. Each imagined step is conditioned on an incorrect affordance state, and therefore the prediction error compounds over the rollout horizon. In this paper, we propose AGWM (Affordance-Grounded World Model), which learns an abstract affordance structure represented as a DAG of prerequisite dependencies to explicitly track the dynamic executability of actions. Experiments on game-based simulated environments demonstrate the effectiveness of our method by achieving lower multi-step prediction error, better generalization to novel configurations, and improved interpretability.
Authors: Ho Hin Lee, Dongna Du, Chu Wang, Yuankai Huo, Shi Gu, James C. Gee, Yifan Wu
Abstract: Vision foundation models are increasingly moving beyond 2D to volumetric domains such as 3D medical imaging, where unified pretraining across different imaging modalities (i.e. CT, MRI, and PET) could provide foundational models for diverse clinical tasks. However, training such models requires mixing heterogeneous imaging domains, and current mixture strategies remain largely heuristic. In this work, we observe that different medical imaging domains scale at variable rates during pretraining, and knowledge transfer between domains is strongly asymmetric: training on one domain can substantially improve another, but the reverse may be much weaker. Interestingly, both MAE reconstruction loss and cross-domain transfer follow predictable power-law trends with domain-specific behaviors. Motivated by these findings, we formulate data allocation as a scaling-law optimization problem. The derived allocations reveal an interpretable hub-and-island structure: highly transferable domains emerge as hubs that benefit many others and deserve strategic allocation, while isolated domains act as islands requiring direct investment. Empirically, transfer-aware allocation outperforms data-proportional sampling by up to 58% and generalizes well to unseen budgets with r=0.989. Downstream validation on disease classification and organ/lesion segmentation further confirms that the derived transfer-aware mixtures provide stronger pretrained representations for clinical 3D medical imaging tasks.
Authors: Panos Tsimpos, Edoardo Calvello, Ayoub Belhadji, Nicholas H. Nelsen
Abstract: Probabilistic conditioning is concerned with the identification of a distribution of a random variable $X$ given a random variable $Y$. It is a cornerstone of scientific and engineering applications where modeling uncertainty is key. This problem has traditionally been addressed in machine learning by directly learning the conditional distribution of a fixed joint distribution. This paper introduces a novel perspective: we propose to solve the conditioning problem by identifying a single operator that maps any joint density to its conditional, thus amortizing over joint-conditional pairs. We establish that the conditioning operator can be approximated to arbitrary accuracy by neural operators. Our proof relies on new results establishing continuity of the conditioning operator over suitable classes of densities. Finally, we learn the conditioning map for a class of Gaussian mixtures using neural operators, illustrating the promise of our framework. This work provides the theoretical underpinnings for general-purpose, amortized methods for probabilistic conditioning, such as foundation models for Bayesian inference.
Authors: Yijin Ni, Xiaoming Huo
Abstract: The Maximum Mean Discrepancy (MMD) is a cornerstone statistic for nonparametric two-sample testing, but its test power is dictated entirely by the chosen kernel. Because any fixed kernel inherently fails to distinguish certain distributions, the kernel must be dynamically optimized. However, data-driven optimization violates the foundational i.i.d. assumption, forcing a strict trade-off in existing frameworks. Ratio criteria ignore this dependence, inducing overfitting and variance collapse on rich kernel classes. Conversely, aggregation methods bypass the dependence using finite grids, but this strategy cannot scale to continuous search spaces like deep kernels. To break this dichotomy, we establish data-driven kernel selection as a model selection problem. We propose Complexity-Penalized MMD (CP-MMD), a criterion derived by applying the two-sample uniform concentration inequality of preceding works to the post-optimization MMD problem. The resulting penalty bounds the empirical MMD by the complexity of the kernel search space, mathematically absorbing the cost of optimization, so that CP-MMD enables direct, grid-free maximization over continuous parametric classes, including scalar bandwidths, polynomial feature bandwidths, and deep network parameters. By formally accounting for optimization complexity, we prove that CP-MMD maximizes true test power while ensuring unconditional Type-I validity. Consequently, CP-MMD enables grid-free kernel selection across linear, polynomial-feature, and deep regimes, matching or exceeding state-of-the-art test power.
Authors: Sayantan Choudhury, Xiaoran Cheng, Martin Tak\'a\v{c}, Sen Na, Mladen Kolar
Abstract: Most first-order optimizers treat matrix-valued parameters as vectors, ignoring the intrinsic geometry of hidden-layer weights in neural networks. Muon addresses this mismatch by updating along the polar factor of a momentum matrix, but its theoretical understanding has lagged behind practice. In particular, practical implementations incorporate Nesterov momentum, compute the polar factor only approximately, and operate with stochastic gradients that may be heavy-tailed. We close this gap by developing a convergence theory for Muon with Nesterov momentum and inexact polar decomposition in non-convex matrix optimization under heavy-tailed noise. Our analysis builds on a unified framework for inexact polar decomposition that captures practical iterative approximations such as Newton-Schulz and quantifies how their errors propagate through the optimization dynamics. Under this framework, we establish an optimal iteration and sample complexity of $O \left(\varepsilon^{\frac{-(3\alpha-2)}{(\alpha-1)}} \right)$ for finding an $\varepsilon$-stationary point, where $\alpha\in(1,2]$ denotes the heavy-tail index. For the inexact-polar setting with $\sigma_1=0$, we also provide guarantees that do not require prior knowledge of $\alpha$. We analyze a randomized low-rank polar decomposition that is substantially more efficient than full-space methods while remaining compatible with our theory. Numerical experiments further demonstrate the effectiveness of the proposed inexact and randomized variants.
Authors: Aditya Parikh, Stella Frank, Sneha Das, Aasa Feragen
Abstract: Labeled datasets reflect the biases of their annotation pipelines, which sometimes introduce label bias: group-conditional label errors that cause systematic performance disparities across demographic subgroups. Label bias in image segmentation remains underexplored, as even detecting it typically requires clean, unbiased annotations, which are not readily available. We present a data-centric adaptation of Confident Learning to segmentation, allowing detection of label bias directly in the training data without a clean, unbiased ground truth. By comparing the provided training labels to the model's confident predictions, we isolate directional errors that quantify the presence and nature of bias, where standard overlap metrics like Dice fail. We further show that label bias influences subgroup separability in the encoder's feature space, an artifact we leverage for bias mitigation rather than suppressing it. We evaluate three datasets, spanning from synthetic to real-life bias, showing how our framework reliably detects and mitigates bias without access to clean labels, achieving equitable performance across experimental conditions.
Authors: Md Mahmuduzzaman Kamol, Jesus Lopez, Saeefa Rubaiyet Nowmi, Emilia Rivas, Md Ahsanul Haque, Edward Raff, Aritran Piplai, Mohammad Saidur Rahman
Abstract: Machine learning (ML) in real-world systems must contend with concept drift, adversarial actors, and a spectrum of potential features with varying costs and benefits. Malware naturally exhibits all of these complexities, but for the same reason, it is challenging to curate and organize data to study these factors. We present McNdroid, to our knowledge the largest longitudinal multimodal Android malware benchmark for malware detection and drift analysis. McNdroid spans 2013--2025, excluding 2015, and represents each application with three aligned modalities--static features from manifests and smali code, dynamic behavioral features from sandbox execution, and graph-based features from function-call graphs. Using temporally separated splits, we evaluate standard ML and deep-learning detectors across increasing train--test time gaps. Results show clear temporal degradation, while multimodal fusion outperforms the best single modality across long-term temporal gaps. Cross-modal agreement also declines over time, suggesting that drift affects both individual feature spaces and the consistency among modalities. We further analyze modality-specific drift, malware-family evolution, and temporal changes in model explanations. We publicly release McNdroid, benchmark splits, and code to support reproducible research on temporal generalization and robust multimodal learning in security-critical, non-stationary settings.
Authors: Matthew Fahrbach, Mehraneh Liaee, Morteza Zadimoghaddam
Abstract: We present an accelerated relax-and-round algorithm for concave coverage problems, which generalize the classic maximum coverage problem. Building on the relax-and-round framework of Barman et al. [STACS 2021], we propose two significant improvements. First, we replace the linear programming (LP) relaxation step with a projected accelerated gradient method applied to a smooth surrogate objective to achieve a $\widetilde{O}(mn \varepsilon^{-1})$ running time. Second, we use a specialized rounding scheme for the hypersimplex that combines the Carath\'eodory decomposition algorithm in Karalias et al. [NeurIPS 2025] with randomized swap rounding of Chekuri et al. [FOCS 2010]. We prove tight approximation ratios for new reward functions, including a $0.827$-approximation for the logarithmic reward $\varphi(x) = \log(1 + x)$. Finally, we conduct maximum multi-coverage experiments on synthetic and real-world graphs, demonstrating that our algorithm outperforms approaches that use state-of-the-art LP solvers.
Authors: Nitya Pandey, C\'esar Fuentes, Pedro Bernardinelli, Valeria Fr\'ias, Colin Orion Chandler, David E. Trilling, Matthew J. Holman, Steven Stetzler, Dallin Spencer, Hsing Wen Lin, Luis E. Salazar Manzano, Darin Ragozzine, Ryder Strauss, Mario Juri\'c, Andrew J. Connolly, Hayden Smotherman, Scott S. Sheppard, Kevin Napier
Abstract: We present You Only Stack Once (YOSO), an automated pipeline designed to detect faint, slow-moving Solar System objects in wide-field astronomical surveys. The pipeline integrates a novel Gaussian Motion Filter (GMoF) that operates at the pixel level to enhance signal-to-noise for objects exhibiting a range of apparent rates of motion. Unlike conventional shift-and-stack methods, which rely on discrete velocity trials, GMoF amplifies trails while suppressing random noise and static background features. Applied to a subset of DEEP observations from the Dark Energy Camera, YOSO recovered 45 out of 73 previously detected objects, as well as 11 new TNOs. It also discovered 216 objects in the near Solar System. Although alternative shift-and-stack methods are sensitive to objects about 0.88 magnitudes fainter, YOSO's false positive rate is extremely low, since it detects only sources that exhibit a trail and are consistent with a point source when shifted at the right rate. We show how this method can be deployed on large surveys like LSST, and adapted for other domains that require motion-based signal enhancement, including exoplanet imaging through Angular Differential Imaging (ADI), and near-Earth object (NEO) detection for missions like NEO Surveyor. YOSO thus provides a versatile, scalable approach for extracting faint, motion-dependent signals in the era of data-intensive astronomy.
Authors: {\L}ukasz Gorczyca, Kacper Drozd, Micha{\l} Bujak, Rafa{\l} Kucharski
Abstract: Previous methods that predict system-wide travel time, predominantly grounded in graph neural networks, remain limited to typical and recurring demand patterns. While they successfully predict future congestion following daily commute, they inherently approximate a single demand realisation and fail to capture varying route choices. In this work, we propose a Generalised Travel Time Predictor (GenTTP) that successfully differentiates route choices and offers accurate flow and travel time predictions. Our framework learns to uncover complex spatiotemporal traffic patterns and microscopic relationships between route choices and the resulting travel times. This addresses a critical gap: the lack of travel time prediction models that generalise across varying route assignments, where the same demand can produce substantially different network-wide outcomes depending on how travellers are distributed over available paths.
Authors: Keegan Harris, Siddharth Prasad, Asher Trockman
Abstract: We propose incentive-aligned mechanisms for in-context credit assignment: the task of assigning credit for AI-generated content (e.g. code, news articles, short-form videos) among creators whose intellectual property appears in the context window. Our approach is based on the least core solution concept from cooperative game theory, which distributes value in a way that is as stable as possible by ensuring that no subset of creators is significantly under-compensated relative to the value they could generate on their own. We develop algorithms for approximating the least core, which leverage novel routines for constraint seeding and constraint separation. On a web retrieval credit assignment task, we find that our approaches are capable of approximating the least core using orders of magnitude fewer LLM calls compared to alternative methods.
Authors: Joseph Quaratiello, Anthony Rizzo
Abstract: Designing photonic integrated circuits requires accurate electromagnetic field simulations, which remain computationally expensive even for simple device geometries. We present PIC-Flow, a generative neural surrogate that predicts electromagnetic field distributions for photonic devices given their geometry and operating wavelength as an alternative to costly finite-difference time-domain (FDTD) simulations. Our approach combines three key ideas: (i) conditional flow matching as the generative framework, learning a velocity field that transports Gaussian noise to physically valid field solutions; (ii) a real-valued U-Net operating on split real and imaginary field channels; and (iii) physics-constrained training through a Helmholtz residual loss enforcing $\nabla^2 E_z + k_0^2 \varepsilon E_z = 0$. We introduce an interface-aware masking scheme for the Helmholtz residual that excludes dielectric boundary pixels where finite-difference stencil errors dominate, yielding a physically meaningful compliance metric. The data set consists of 22,500 ground-truth FDTD simulations split evenly between multimode interferometers, Y-branches, and directional couplers at $\lambda=1.55\,\mu$m in an 80/10/10 split between training, validation, and test sets. We evaluate ablations on the network against the held out test devices and also show that the model generalizes to held out device classes such as S-bends, tapers, and cascaded Y-branches. Rather than a drop-in replacement for FDTD, this work establishes a foundation that, with broader data coverage, more compute, and further training optimization, could scale toward broadband, device-agnostic field prediction with dramatically improved runtime for rapid design-space exploration of complex photonic devices and circuits.
Authors: Syed Ihtesham Hussain Shah, Floris den Hengst, Aneta Lisowska, Annette ten Teije
Abstract: Constraint inference is widely considered essential to align reinforcement learning agents with safety boundaries and operational guidelines by observing expert demonstrations. However, existing approaches typically assume homogeneous demonstrations (i.e., generated by a single expert or multiple experts with identical objectives). They also have limited ability to capture individual preferences and often suffer from computational inefficiencies. In this paper, we introduce Multi-Objective Constraint Inference (MOCI), a novel framework designed to jointly extract shared constraints and individual preferences from heterogeneous expert trajectories, where multiple experts pursue different objectives. MOCI effectively models and learns from diverse, and potentially conflicting, behaviors. Empirical evaluations demonstrate that MOCI significantly outperforms existing baselines, achieving improved predictive performance, and maintaining competitive computational efficiency on a standard grid-world benchmark. These results establish MOCI as an accurate, flexible, and computationally practical approach for real-world constraint inference and preference learning tasks.
Authors: Haitham Kanj, Kiryung Lee
Abstract: This paper presents a parametric solution to piecewise linear regression through the Adaptive Block Gradient Descent (ABGD) algorithm. The heart of the method is the parametrization of piecewise linear functions as the difference of max-affine (DoMA) functions. A non-asymptotic local convergence analysis for ABGD is provided under sub-Gaussian covariate and noise distributions. To initialize ABGD, we adapt a prior algorithm originally developed for the simpler setting of max-affine functions. When suitably initialized, ABGD converges linearly to an $\epsilon$-accurate estimate given $\tilde{\mathcal{O}}(d\max(\sigma_z/\epsilon,1)^2)$ observations where $\sigma_z^2$ denotes the noise variance. This implies exact recovery given $\tilde{\mathcal{O}}(d)$ samples in the noiseless case. Also, such a rate is shown to be minimax optimal up to logarithmic factors. Synthetic numerical results corroborate the theoretical guarantees for ABGD. We also observe competitive performance compared to the state-of-the-art methods on real-world datasets.
Authors: Dongqing Li, Geoff K. Nicholls, Shiyi Sun, You Luo
Abstract: Many ranking and agent trace datasets are recorded as linear orders even though their latent structure is only partially ordered. This is especially common in agent and workflow traces, where observed order may reflect arbitrary linearization rather than true prerequisites. We introduce a differentiable relaxation for latent partial-order inference from such traces. Starting from a hard frontier-constrained model of noisy linear extensions, we replace discontinuous product-order precedence and binary frontier feasibility with smooth surrogates, yielding a continuous posterior that preserves closure-level partial-order semantics and supports gradient-based MCMC and variational inference. We prove soft transitivity, sharp-limit frontier recovery, and convergence to the hard likelihood. Experiments on synthetic data, records of social dominance relations, and cloud-agent traces show close posterior fidelity to hard MCMC on small instances and improved runtime--accuracy trade-offs on larger problems.
Authors: Pedro Henrique Ramos Pinto, Maria Jullyanna Ferreira Marques, Luiz Carlos Serramo Lopez
Abstract: K-means clustering is widely used in psychological and psychometric research to identify profiles, subgroups, and potential typologies, yet its classical formulation does not test whether such groups exist as latent psychological categories. Instead, K-means partitions multidimensional space into regions around centroids, favoring compact, approximately spherical clusters defined by geometric distance. In this paper, we examine this limitation through a sequence of controlled simulated datasets. We then extend the analysis to the SMARVUS dataset, a large international psychometric dataset comprising survey responses from university students across 35 countries, to evaluate whether similar geometric partitioning patterns emerge in empirical psychological data. By contrasting simulated and empirical data, this paper argues that K-means can produce stable and visually coherent clustering solutions even in continuous Gaussian latent spaces without true subgroup structure.
Authors: Maria Despoina Siampou, Gengchen Mai, Ni Lao, Jinmeng Rao, Neha Arora, Cyrus Shahabi, Shushman Choudhury
Abstract: Multimodal self-supervised learning (MSSL) has emerged as a key paradigm for pretraining geospatial foundation models. However, existing geospatial MSSL methods are mainly designed for static pairs of modalities, such as satellite imagery, street-view imagery, and text, where learning is driven by aligning observations from the same or nearby locations. This assumption breaks down for human mobility trajectories, which represent continuous movement along paths rather than discrete observations at individual locations. Although trajectories are important for urban understanding through their ability to capture human activity across roads, neighborhoods, and places over time, they remain largely underexplored in current geospatial MSSL frameworks. We present TrajGANR, a novel trajectory-centric geospatial MSSL framework that aligns continuous movement patterns with static, location-based observations. TrajGANR learns a continuous neural representation of trajectories at arbitrary points along each path, which enables fine-grained alignment with nearby street-view images, even when they are not co-located with any trajectory waypoints. We leverage this capability to introduce an MSSL objective that jointly aligns three modalities: trajectories, street-view images, and their geographic locations. We evaluate TrajGANR on four urban mobility and road understanding tasks. Across these tasks, TrajGANR consistently outperforms existing geospatial MSSL frameworks and a trajectory-specific foundation model. Ablation studies further demonstrate that our proposed MSSL objective and the multimodal learning framework are the primary drivers of these improvements, highlighting the importance of fine-grained geospatial alignment over coarser aggregation, as well as geospatial multimodal learning.
Authors: Adam R. Klivans, Shyamal Patel, Konstantinos Stavropoulos, Arsen Vasilyan
Abstract: Recent work on provably efficient algorithms for learning with distribution shift has focused on two models: PQ learning (Goldwasser et al. (2020)) and TDS learning (Klivans et al. (2024)). Algorithms for TDS learning are allowed to reject a test set entirely if distribution shift is detected. In contrast, PQ learners may only reject points that are deemed out-of-distribution on an individual basis. Our main result is a surprising equivalence between these two models in the distribution-free setting. In particular, we give an efficient black-box reduction from PQ learning to TDS learning for any Boolean concept class. This equivalence implies the first hardness results for distribution-free TDS learning of basic classes such as halfspaces. The main technical contribution underlying our equivalence is a method for boosting, via branching programs, the weak distinguishing power of TDS learners that have rejected the target domain. We also show that giving a learner access to membership queries sidesteps these hardness results and allows for efficient, distribution-free PQ learnability of halfspaces. Our algorithm iteratively recovers large-margin separators obtained by applying successive Forster transforms on the training data.
Authors: Minheng Chen, Chao Cao, Jing Zhang, Tianming Liu, Dajiang Zhu
Abstract: Functional connectivity (FC) derived from resting-state fMRI is widely used to characterize large-scale brain network alterations in neurological and psychiatric disorders. However, FC construction critically depends on the choice of brain atlas, and different parcellations may emphasize distinct organizational features, leading to heterogeneous and sometimes inconsistent representations. Existing multi-atlas approaches partially alleviate this issue but often fuse atlas-derived features or predictions at a relatively shallow level, while single-atlas disentanglement methods do not explicitly address cross-atlas heterogeneity. We propose Multi-Atlas Disentangled Connectivity LEarning (MADCLE), a multi-branch representation learning framework that jointly encodes FC matrices derived from different brain atlases. Rather than introducing a single explicitly shared latent variable across parcellations, MADCLE learns atlas-wise disease-related representations and encourages them to be cross-atlas consistent through distributional alignment. Meanwhile, covariate-related and atlas-dependent residual factors are modeled separately using covariate similarity supervision, atlas-specific reconstruction, and decorrelation constraints, thereby reducing the leakage of non-disease and parcellation-dependent information into the disease-related embeddings. Experiments on the ADNI and ADHD-200 datasets suggest that MADCLE achieves competitive or improved performance compared with single-atlas baselines, multi-atlas GNN/Transformer models, and recent multi-atlas consistency frameworks. These results support the potential value of structured disentanglement for FC-based disorder identification under heterogeneous parcellation schemes.
Authors: Guyue Luo, Qiao Liu
Abstract: Instrumental-variable (IV) regression enables causal estimation under endogeneity, but modern IV problems often involve nonlinear structural effects and high-dimensional covariates. Existing nonlinear IV methods directly learn the causal relation in observed feature space or rely on learned representations within two-stage or moment-based procedures, which can struggle when the causal information is embedded in a high-dimensional representation. We propose BGM-IV, a latent Bayesian generative modeling approach that reframes nonlinear IV regression as posterior inference in a causally structured latent space. BGM-IV infers latent components that separately capture shared confounding structure, outcome-specific variation, treatment-specific variation, and covariate-only nuisance information. To account for endogeneity, BGM-IV replaces the confounded outcome likelihood with an IV-integrated pseudo-likelihood that averages over instrument-induced treatment values within the latent model. Across various benchmark datasets, BGM-IV remains competitive in the classical low-dimensional regime and performs best in high-dimensional covariate regimes. Together, these results show that structured latent generative modeling provides a principled and effective strategy to nonlinear IV estimation with rich covariates. The code of BGM-IV is available at https://github.com/liuq-lab/BGM-IV.
Authors: Riyazuddin Mohammed, Lan Zhang
Abstract: Modern cybersecurity relies heavily on static machine-learning-based malware classifiers. However, transformations such as packing and other non-semantic modifications applied to executable files limit their reliability. Malware classifiers often learn these unnecessary artifacts rather than the true binary behavior because of the high association between maliciousness and packing. Moreover, these malware classifiers are black boxes, making it difficult to understand what they learn. To address this issue, we proposed a two-part framework using the post-hoc interpretability XAI tool TRUSTEE, followed by a manual analysis of the top features. We conducted several controlled experiments by varying the dataset composition ratios to understand their impact on the results. The top-ranked features across all experiments, identified by TRUSTEE, were predominantly packing artifacts, portable executable(PE) metadata, and n-grams at the string level, rather than malicious semantics. These results suggest that these malware classifiers are highly sensitive to dataset composition and can misinterpret packing as malicious behavior. Our proposed framework allows for the reproducible diagnosis of such biases and forms a guideline for building more robust and semantically meaningful malware detection models
Authors: Chinmaya Kausik, Adith Swaminathan, Nathan Kallus
Abstract: Large Language Model (LLM) agents are deployed in complex environments -- such as massive codebases, enterprise databases, and conversational histories -- where the relevant state far exceeds their context windows. To navigate these spaces, an agent must iteratively explore the environment to find relevant information. However, without explicit infrastructure, an agent's working memory can degrade into lossy representations of the search state, resulting in redundant work (e.g. repetitive looping) and premature stopping. In this work, we formalize this challenge as the Context Gathering Decision Process (CGDP), a specialized Partially Observable Markov Decision Process, where an agent's objective is to adaptively refine its belief state to isolate the necessary information for a task. We model an LLM's behavior as approximate Thompson Sampling within this CGDP, and introduce a predicate-based method that decomposes an LLM's implicit search into explicit and modular operations. We then derive two plug-and-play interventions for iterative LLM agents: a persistent, predicate-based belief state that bounds context while preserving multi-hop reasoning, and a programmatic exhaustion gate that halts unproductive search without premature stopping. Across four methods and three question-answering domains, we empirically validate that replacing an LLM's implicit state with our CGDP-motivated belief state improves multi-hop reasoning by up to $11.4\%$; while the modular programmatic exhaustion detection saves up to $39\%$ of tokens without any degradation in agent performance. Ultimately, we argue that framing the LLM agent loop as a CGDP can guide the design of modular, non-interfering improvements to agentic search harnesses.
Authors: Xinhao Qu, Qiang Heng, Hao Zeng, Xiaoqian Liu
Abstract: Evaluation of large language models (LLMs) is increasingly critical, yet standard benchmarking methods rely on average accuracy, overlooking both the inherent stochasticity of LLM outputs and the heterogeneity of benchmark items. Item Response Theory (IRT) offers a principled framework for modeling latent model abilities and item characteristics, but conventional methods are computationally expensive and numerically unstable, limiting large-scale implementations. To address these challenges, we propose an interpretable and scalable framework for LLM evaluation based on the majorization-minimization principle. Our approach reformulates the problem as a sequence of constrained matrix factorization subproblems, enabling stable and efficient parameter estimation with theoretical guarantees for identifiability and convergence. Experiments on synthetic and real-world datasets, including MATH-500 and six Open LLM Leaderboard benchmarks, demonstrate that our method achieves superior scalability and interpretability. It delivers orders-of-magnitude speedups over competing methods while maintaining comparable or even higher estimation accuracy. Our results align with established scaling laws and offer insights into item difficulty and discrimination, informing more principled benchmark design.
Authors: Boya Hou, Maxim Raginsky
Abstract: We generalize Jan Willems' behavioral approach to a class of discrete-time nonlinear systems in a vector-valued reproducing kernel Hilbert space (RKHS). Apart from linear time-invariant systems, this class covers nonlinear systems modeled by Volterra series and their autoregressive variants, as well as systems admitting Hammerstein-type state-space realizations. We apply the proposed framework to the problem of data-driven modeling of such systems, i.e., when simulation or control objectives for an unknown system are carried out without an explicit system identification step. To that end, we link the behavioral approach to two data-driven modeling methods in a vector-valued RKHS: (1) minimum-norm interpolation and (2) subspace identification.
Authors: Ryoichiro Agata, Tomohisa Okazaki
Abstract: Physics-informed neural networks (PINNs) provide a mesh-free framework for solving PDE-constrained inverse problems, but their extension to Bayesian inversion still faces a fundamental difficulty: prior distributions are typically defined in the weight space of neural networks, whereas physically meaningful prior assumptions are more naturally expressed in function space. In this study, we introduce a unified framework, termed functional-prior-based approaches to Bayesian PDE-constrained inversion using physics-informed neural networks (fpBPINN), to incorporate functional priors into Bayesian PINN-based inversion. We consider two complementary approaches. The first is a functional-prior-informed Bayesian PINN (FPI-BPINN), in which a neural network weight prior is learned to be consistent with a prescribed functional prior, and Bayesian inference is subsequently performed in weight space. The second is function-space particle-based variational inference for PINNs (fParVI-PINN), which performs Bayesian estimation using ParVI directly in function space. We also show that random Fourier features (RFF) play an important role in representing Gaussian functional priors with neural networks and in improving posterior approximation. We applied the proposed approaches to one-dimensional seismic traveltime tomography and two-dimensional Darcy-flow permeability inversion. These numerical experiments showed that both approaches accurately estimated posterior distributions, highlighting the significance of introducing physically interpretable functional priors into Bayesian PINN-based inverse problems. We also identified the contrasting advantages of FPI-BPINN and fParVI-PINN, namely flexibility and accuracy, respectively.
Authors: Gandharv Patil, Keyi Tang, Raquel Aoki, Leo Guelman
Abstract: Individual treatment effects are not point-identified from data. The Probability of Necessity and Sufficiency (PNS) circumvents this limitation by characterizing individual-level causality through intersection bounds derived from combined experimental and observational data. In finite samples, however, standard plug-in estimators systematically fail: they violate structural probability constraints and suffer from extremum bias induced by max-min operators, yielding spuriously narrow intervals. We propose a neural framework for finite-sample PNS estimation that resolves both pathologies. We introduce an anchored neural architecture that guarantees structural constraint satisfaction by construction. To correct extremum bias, we employ precision-corrected intersection-bound inference, leveraging Epistemic Neural Networks for scalable, high-dimensional uncertainty quantification. Empirical evaluations confirm that this approach maintains nominal coverage and exact constraint validity in high-dimensional regimes where standard estimators systematically undercover.
Authors: Zekun Wang, Anant Gupta, Zihan Dong, Christopher J. MacLellan
Abstract: Large language models (LLMs) increasingly receive information as streams of passages, conversations, and long-context workflows. While longer context windows expose more evidence, they do not ensure that useful information is preserved and reused. We study continual context consolidation: writing current context into model weights while limiting interference with previously consolidated information. We propose \textbf{S}elf-\textbf{Co}nsolidating \textbf{L}anguage Models (SCoL), a post-training framework in which, given current context, an LLM learns to generate textual update instructions specifying which of its own Transformer layers should be updated. Because committed updates change the model that later generates future selections, we train SCoL with meta-reinforcement learning over an evolving model state. We instantiate SCoL with supervised QA rewards on SQuAD knowledge incorporation and intrinsic likelihood-based rewards for LongBench v2 long-context consolidation. Across both settings, SCoL improves acquisition and retention over prompting, summarization, batch test-time training, and sequential finetuning baselines. Analysis of learned selection patterns shows that SCoL encourages the LLM to generate sparse update locations that align with layers of high Fisher information, suggesting that the model learns to route plasticity toward loss-sensitive regions while limiting interference. Moreover, SCoL transfers from shorter meta-training streams to longer LongBench v2 streams at evaluation, suggesting that our framework supports scalable streaming consolidation.
Authors: Xinyu Zhang, Zhengtong Xu, Yutian Tao, Yeping Wang, Yu She, Abdeslam Boularias
Abstract: World models predict future transitions from observations and actions. Existing works predominantly focus on image generation only. Visual feature-based world models, on the other hand, predict future visual features instead of raw video pixels, offering a promising alternative that is more efficient and less prone to hallucination. However, current feature-based approaches rely on direct regression, which leads to blurry or collapsed predictions in complex interactions, while generative modeling in high-dimensional feature spaces still remains challenging. In this work, we discover that a new type of latent action representation, which we refer to as *Residual Latent Action* (RLA), can be easily learned from DINO residuals. We also show that RLA is predictive, generalizable, and encodes temporal progression. Building on RLA, we propose *RLA World Model* (RLA-WM), which predicts RLA values via flow matching. RLA-WM outperforms both state-of-the-art feature-based and video-diffusion world models on simulation and real-world datasets, while being orders of magnitude faster than video diffusion. Furthermore, we develop two robot learning techniques that use RLA-WM to improve policy learning. The first one is a minimalist world action model with RLA that learns from actionless demonstration videos. The second one is the first visual RL framework trained entirely inside a world model learned from offline videos only, using a video-aligned reward and no online interactions or handcrafted rewards. Project page: https://mlzxy.github.io/rla-wm
Authors: Houman Safaai, Andrew T. Landau, Celia C. Beron, Yasin Mazloumi, Bernardo L. Sabatini
Abstract: Channel importance in vision networks is usually summarized by a single score. That summary hides two different questions: how much a channel is related to the task, and whether its function can be supplied by same-layer peers when the channel is removed. We call the second property local replaceability. We introduce a two-axis view that separates these questions. The local axis measures input capture and peer overlap, while the target axis measures task information and target-excess information. Across ResNet-18, VGG-16, and MobileNetV2 trained on CIFAR-100, the two axes are weakly aligned, induce different channel groupings, and separate rapidly during training despite being strongly coupled at random initialization. A Gaussian linear analysis accounts for how this separation can arise through residualized gradient directions, and lesion plus peer-replacement experiments show that peer support refines removability beyond input capture and task relevance alone. Under the fixed FLOPs-matched pruning protocol, local-axis metrics are more reliable predictors of removability than target-axis metrics across the three CIFAR-100 backbones, with the same direction preserved in stress tests on CIFAR-10, Tiny-ImageNet, ImageNet-100, and a ConvNeXt-T/ImageNet-100 pilot. These findings identify an axis-level distinction rather than a universal ranking of pruning scores: local replaceability is a more reliable guide to removability than target relevance, while norm-based baselines remain competitive in architectures such as VGG-16. Relevance-based scores ask what a channel says about the task; pruning asks whether the network still needs that channel when its peers remain available.
Authors: Zezheng Lin, Fengming Liu, Handi Li
Abstract: The Translation Tax is often treated as a scalar: translated benchmarks are assumed to inflate scores by preserving English-source cues. We audit this claim in an English-to-Chinese setting. Three proxy estimators disagree: back-translation gaps are small and parser-fragile; cue-score calibration does not predict item-level gains; and a six-model native-control comparison shows model-family rather than uniform benchmark effects. We add a same-item LLM-naturalization stress test that holds answer, options, and content fixed while rewriting Chinese surface form. After correcting a prompt-construction bug, this contrast no longer supports a model-family interaction, but it preserves a residue dose-response: high-residue items benefit while low-residue items do not. The result is not a single Translation Tax, but a set of estimator- and item-dependent validity risks. We release per-cell evidence, the naturalization protocol, human QC, and a reporting checklist for translated multilingual benchmark papers.
Authors: Anastasis Kratsios, Gregory Cousins, Haitz S\'aez de Oc\'ariz Borde, Bum Jun Kim, Simone Brugiapaglia
Abstract: We show that, in a precise sense, a broad class of feedforward neural networks learn (have finite sample complexity) in the PAC model: every fixed finite feedforward architecture whose layers are definable in an o-minimal structure has finite sample complexity in the agnostic PAC setting, even with unbounded parameters. This covers standard fixed-size MLPs, CNNs, GNNs, and transformers with fixed sequence length, together with the operations and layers typically used in such architectures, including linear projections, residual connections, attention mechanisms, pooling layers, normalization layers, and admissible positional encodings. Hence, distribution-free learnability for modern non-recurrent architectures is not an exceptional property of particular activations or architecture-specific VC arguments, but a consequence of tame feedforward computation. Our results reposition finite-sample PAC learnability as a baseline rather than a differentiator: they shift the focus of architectural comparison toward inductive biases, symmetries and geometric priors, scalability, and optimization behaviour.
Authors: Zhenhan Fang, Aixin Tan, Jian Huang
Abstract: Constructing valid and informative conformal prediction regions for multi-dimensional outputs remains a fundamental challenge. While conformal prediction provides finite-sample, distribution-free coverage guarantees, its practical performance critically depends on the choice of nonconformity score. Existing approaches often rely on restrictive geometric assumptions or require explicit likelihood evaluation and invertible transformations, limiting their applicability in complex generative settings. In this work, we introduce TRACE (TRansport Alignment Conformal Estimation), a conformal prediction framework that defines nonconformity through transport alignment in diffusion and flow matching models. Rather than evaluating likelihoods, we measure how well a candidate output aligns with the learned generative dynamics by averaging denoising or velocity-matching errors along stochastic transport trajectories. The resulting transport-based scores are scalar-valued and can be calibrated using split conformal prediction, yielding valid marginal coverage under exchangeability. We further analyze the statistical properties of the proposed scores and their sensitivity to computational budget. Experiments on synthetic and real datasets demonstrate valid coverage and show that the resulting regions adapt naturally to multimodal and non-convex conditional distributions.
Authors: Yicen Li, Ruiyang Hong, Anastasis Kratsios, Haitz S\'aez de Oc\'ariz Borde, Paul D. McNicholas
Abstract: Classical clustering methods usually return either a finite partition of the observed data or a finite dendrogram over it. This finite-sample view is inadequate when the hierarchy of interest is a recursive geometric object with fine-scale refinements that continue beyond the levels directly observed. We introduce classification fields: infinite-depth hierarchical cluster structures on $\mathbb{R}^d$ generated by a local parent-to-child refinement rule. A classification field generator maps each parent centre to an ordered, bounded, and separated tuple of child residuals. Together with a root and a scale factor, this rule recursively generates cluster centres, Voronoi cells, and a metric DAG encoding the hierarchy. Given only a finite prefix of such a hierarchy, we learn a classification field predictor that approximates the generator and can be rolled out to unseen depths. We prove exponential truncation convergence in the completed cell metric and ReLU realizability with width $O(\varepsilon^{-\gamma})$ and depth $\widetilde O(\varepsilon^{-3\gamma/2})$, where $\gamma=\log K/(-\log s)$, up to finite-window aspect-ratio factors. The approximation holds at the level of the induced compact metric structures, measured in the completed cell-metric Hausdorff distance. Experimental validation on matched CFG-generated hierarchies, IFS fractals, and image-induced recursive clustering hierarchies shows that learned predictors preserve ordered child slots, unordered geometry, and hierarchy-level path metrics under recursive rollout. These results support the claim that finite hierarchical observations can reveal local refinement rules capable of generating substantially deeper classification fields.
Authors: Seunghan Lee, Jun Seo, Jaehoon Lee, Sungdong Yoo, Minjae Kim, Tae Yoon Lim, Dongwan Kang, Hwanil Choi, SoonYoung Lee, Wonbin Ahn
Abstract: Temporal knowledge graphs (TKGs) represent time-stamped relational facts and support a wide range of reasoning tasks over evolving events. However, existing methods produce entity representations that are static at the entity level, in that each representation is a function of learned parameters only and retains no trace of the interactions in which the entity has participated. In this paper, we depart from this static view and propose that each entity be modeled as an adaptive process whose representation is refined every time the entity participates in a fact. To this end, we propose AdaTKG, which maintains a per-entity memory that is updated with every observed interaction, with the memory accumulating online and predictions improving as more interactions arrive. Specifically, we instantiate the memory update as a learnable exponential moving average governed by a single shared scalar instead of using learnable parameters for each entity, enabling AdaTKG to handle entities unseen during training. Extensive experiments confirm consistent gains over TKG baselines, demonstrating the effectiveness of adaptive memory. Code is publicly available at: https://github.com/seunghan96/AdaTKG.
Authors: Shijun Li, Wooseong Yang, Yu Wang, Tianxin Wei, Joydeep Ghosh
Abstract: Large Language Models (LLMs) have emerged as a promising paradigm for next-generation recommender systems, offering strong semantic understanding and natural-language reasoning abilities. Despite recent progress, current LLM-based recommenders still face key challenges in constructing decision-relevant contexts from heterogeneous evidence. First, existing methods often rely on fixed context construction strategies: collaborative behavioral evidence and item-side metadata are typically incorporated through predefined prompts, static retrieval pipelines, or handcrafted injection mechanisms, making it difficult to determine what information is truly beneficial for each instance. Second, heterogeneous evidence introduces a severe context-efficiency bottleneck. Rich metadata and collaborative interaction records can quickly overwhelm the context window, while aggressive compression or heuristic filtering may discard fine-grained evidence critical for accurate recommendation. To address these challenges, we propose RRCM, a ranking-driven retrieval-and-reasoning framework over collaborative and metadata memories for LLM-based agentic recommendation. RRCM starts from a lightweight user-history context and learns whether to recommend directly, retrieve collaborative evidence, retrieve item metadata, or interleave both through reasoning. Both memories are represented in natural language and accessed through a unified retrieval interface, enabling flexible evidence acquisition without handcrafted CF injection or fixed retrieval rules. We optimize this memory-reading policy with an outcome-only ranking reward, instantiated using group relative policy optimization, so that retrieval decisions are directly driven by final top-k recommendation quality. Extensive experiments show that RRCM significantly outperforms traditional baselines and diverse LLM-based recommendation approaches.
Authors: Deeraj S K, Sadhana Devarajan, Krishna Mehra, Sudhakar Mishra
Abstract: Reinforcement learning from verifiable emotion rewards RLVER has produced language models with strong empathetic performance, evaluated on benchmarks that assume cooperative, honest users. Yet real emotional interactions systematically violate this assumption: users gaslight, escalate, and pressure AI systems for unconditional validation, dynamics that cooperative benchmarks cannot surface. We construct the Adversarial Empathy Benchmark AEB and introduce the Emotional Consistency Score ECS to evaluate empathetic robustness under adversarial conditions. AEB comprises six psychologically grounded adversarial trajectory types with discriminative reward structures that penalize formulaic responses; ECS formally disentangles a model's capacity to track user emotional states from its capacity to improve them. In a controlled experiment across eight scenario-matched conditions (think and no-think conditions on 2 RLVER models, and 2 base models (Qwen 1.5B and 7B) with 480 adversarial dialogues), RLVER-PPO-Think substantially outperforms the same-scale untuned baseline (0.963 vs. 0.761, \(p<0.001, r=0.688\)), with zero dialogue collapses and 47\% higher hidden-intention detection. However, ECS remains nearly flat and is not significantly different for RLVER-PPO-Think versus Base-7B-Think (\(p=0.650\)): RL training improves emotional responsiveness without measurable gains in observable state tracking. We interpret the ECS--FS (Final Score) gap as a behavioral/legibility dissociation inside this simulator family, not as evidence about internal understanding or clinical readiness.
Authors: Jialin Yang, Jiankun Wang, Jiajun Wu, Henry Leung, Jiayu Zhou, Steve Drew
Abstract: When distilling reasoning from large language models (LLMs) into smaller ones, teacher rationales for similar problems often vary wildly in structure and strategy. Like a chef who makes the same dish differently each time, this inconsistency burdens the student with noisy supervision that is hard to internalize. We propose Distillation through Reasoning Path Compression (D-RPC), which constrains the teacher to follow a compact, dynamically maintained bank of reusable high-level reasoning paths. For each training question, D-RPC retrieves the most relevant path and conditions the teacher to follow it, producing rationales that are consistent across similar problems yet diverse enough to cover different problem types. A PAC-Bayes analysis formalizes the resulting trade-off between bank size and coverage: smaller banks reduce supervision entropy but risk coverage gaps, and the generalization bound identifies an optimal intermediate size confirmed by our ablations. Across five math and commonsense reasoning benchmarks with two student models, D-RPC consistently outperforms chain-of-thought distillation, freeform rationale generation, direct distillation, and structured-supervision baselines, while using fewer tokens than template-heavy alternatives.
Authors: Zixuan Xie, Xinyu Liu, Shangtong Zhang
Abstract: The ecosystem of Lean and Mathlib has become the de facto standard for large language model (LLM) assisted formal reasoning with remarkable successes in recent years. Those successes, however, only consume Mathlib as an essential dependency but do not directly contribute to it. In the meantime, the growth of Mathlib has recently been bottlenecked by the review process, which requires human reviewers to judge whether proposed pull requests (PRs) follow the Mathlib's conventions and are worth integrating as part of a shared mathematical infrastructure. This leads to our central question: can LLMs help review Mathlib PRs? To this end, we introduce MathlibPR, a benchmark built from real Mathlib4 PR histories. We further propose a staged evaluation protocol and use it to evaluate both LLM models (e.g., DeepSeek, Qwen, Goedel, and Kimina) and LLM agents (e.g., Codex and Claude Code). Surprisingly, both LLM models and LLM agents struggle to distinguish merge-ready PRs from build-passing PRs that were revised or never merged. By turning Mathlib PR histories into a supervised signal, MathlibPR provides a step toward reviewer assistants and reward models that could help evaluate PRs and steer LLMs toward producing merge-ready Mathlib contributions.
Authors: Junseon Yoo
Abstract: Vector search and retrieval-augmented generation (RAG) rest on the assumption that cosine similarity between text embeddings reflects conceptual relatedness. We measure where this assumption breaks. We build an augmented citation graph over 3.58M scientific papers and partition it via Leiden CPM at two granularities: sub-field (L1) and research-agenda (L2, hierarchical inside each L1). Four state-of-the-art embeddings (Gemini, Qwen3-8B, Qwen3-0.6B, SPECTER2) clear the L1 bar reasonably (45-52% top-10 same-rate) but stop working at L2: only 15-21% of top-10 neighbors share the query's research agenda. In absolute terms, 8 of every 10 retrieved papers are off-agenda. The failure is universal across eight scientific domains and all four models; SPECTER2, despite its citation-based contrastive training, is the weakest. As a diagnostic probe, we test whether the same augmented graph also functions as a retrieval signal: a deliberately simple citation-count rerank reaches 57.7% top-1 L2 on top of LLM-expanded Boolean retrieval and 59.6% on top of plain BM25, on 80 curated agenda queries -- about 9 points above the best cosine retriever (Gemini, 50.6%) and 20 points above BM25 alone (39.3%). The probe isolates a slice of the agenda-matching signal the graph carries but the embeddings miss, connecting recent theoretical limits on single-vector retrieval to a concrete failure mode of scientific RAG.
Authors: Huaiyuan Qin, Muli Yang, Gabriel James Goenawan, Peng Hu, Chen Gong, Xi Peng, Hongyuan Zhu
Abstract: A recent work shows that Attention Transfer, which transfers only the attention patterns from a pre-trained teacher Vision Transformer (ViT) to a randomly initialized standard student ViT, is sufficient to recover the full benefit of the teacher's pre-trained weights. We revisit this finding on a comprehensive benchmark of 20 teachers from 11 well-known ViT families and reveal that Attention Transfer is not universally effective. While 7 families transfer successfully, 4 consistently fail, falling up to 5.1\% below the from-scratch no-transfer baseline. Further results demonstrate that this failure is family-consistent across model sizes, and persists under extended training durations, different transfer datasets, and out-of-distribution evaluations. Controlled analyses then consistently localize the problem to the attention-routing channel, indicating that the key issue is not whether the student can match the teacher's attention patterns, but whether the matched patterns remain functional for the student. Crucially, we identify architectural mismatch between the pre-trained teacher and the standard student as the primary mechanism. By adding only the teacher's native architectural components to the student in a randomly initialized state, we completely reverse the failure for all 4 families. Notably, these components alone do not improve from-scratch training, confirming that they specifically unlock the usability of the teacher's attention. We further systematically show that this failure is not explained by the inadequate choice of transfer loss or by differences in pre-training recipes. Our findings refine the prevailing understanding of attention in ViT representations: attention is sufficient \textit{only} when the student architecture matches the teacher.
Authors: Bincheng Peng, Guang Li, Ping Liu, Takahiro Ogawa, Miki Haseyama
Abstract: Dataset distillation compresses a large training set into a small synthetic set that preserves downstream training utility. While most existing methods target training networks from scratch, modern visual transfer learning often uses frozen pre-trained encoders followed by lightweight linear probing. Existing distillation methods for this setting either unroll iterative linear-probe updates with trajectory-based gradient matching, or rely on closed-form formulations originally designed for from-scratch training with neural-tangent-kernel (NTK) approximations. Neither route exploits the fact that frozen-feature linear probing admits a closed-form solution determined directly by the pre-trained features themselves, with no infinite-width approximation and no inner-loop trajectory. We propose Closed-Form Linear-Probe Dataset Distillation (CLP-DD), a bilevel formulation that computes the linear probe induced by the synthetic set with a sample-space kernel ridge solver. The synthetic images are then updated by evaluating this induced classifier on real features through a temperature-scaled softmax cross-entropy, where the classifier columns act as learned class anchors in feature space. We further show that the choice of outer objective is decisive: pairing the closed-form inner solver with a standard MSE outer loss substantially underperforms trajectory-based methods, while the discriminative outer loss closes most of the gap. On ImageNet-100 with four pre-trained backbones, CLP-DD substantially improves over LGM without DSA and approaches LGM with DSA at a fraction of the computational cost. On ImageNet-1K, CLP-DD matches or surpasses LGM with DSA on three of four backbones while running roughly $14\times$ faster and using less than one-eighth of the GPU memory.
Authors: Junichiro Niimi
Abstract: Marketing decisions reflect the interaction of latent consumer heterogeneity, time-varying internal states, and explicit interventions, a structure that current prediction- and language-oriented models do not capture in a unified manner. We propose a Three-in-One world-model architecture in which a Deep Boltzmann Machine (DBM) learns a frozen belief representation from demographics, time, and lagged actions and outcomes, with lightweight task-specific adapters attached on top. The same belief supports three tasks within a single framework: (i) energy-based consistency evaluation through the DBM's free energy, (ii) outcome prediction through adapters, and (iii) counterfactual inference by holding the belief fixed and varying only the action input given to the adapter. Using a controlled simulation in which the latent price sensitivity, promotion responsiveness, and base preference of each consumer are known, we show that the adapters match a strong MLP baseline on visit- and purchase-AUC while recovering heterogeneous treatment effects substantially better than S-, T-, X-, and DR-learner meta-learners and a Causal Forest baseline built on the same raw features, with the largest gap on a confounded price-promotion intervention. Complementing this, free-energy clamps systematically penalize counterfactual purchase trajectories that lack prior promotional exposure, and the penalty itself depends on the latent base preference in the expected direction. These results indicate that DBM beliefs disentangle latent traits in a form that survives counterfactual queries, providing an integrated world-model substrate for marketing intervention.
Authors: Srikar Kashyap Pulipaka
Abstract: This paper describes our system for the EEUCA 2026 Shared Task on Understanding Toxic Behavior in Gaming Communities. The task involves classifying World of Tanks chat messages into six toxicity categories: Non-toxic, Insults/Flaming, Other Offensive, Hate/Harassment, Threats, and Extremism. We explore multiple approaches including encoder-based models, instruction-tuned LLMs with LoRA fine-tuning, hierarchical classification, one-vs-rest strategies, and various ensemble methods. Our best system combines Llama 3.1 8B with carefully calibrated 5\% synthetic data augmentation, achieving an F1-macro score of 0.6234 on the test set, placing 4th out of 35 participating teams. We provide extensive analysis of the dataset's annotation patterns and their impact on model generalization, revealing a critical ''validation trap'' phenomenon where high validation performance correlates with poor test transfer.
Authors: Akshita Singh, Prabesh Paudel, Siddhartha Roy
Abstract: We introduce a proxy-analyzer framework for detecting hallucinations in large language models. Instead of looking inside the generating model, our system reads already-generated text through a small locally hosted open-weight model and spots hallucinations using the reader's own internal activations. This works just as well when the generator is a closed API like GPT-4 as when it is any open-weight model. We built eighteen features grounded in how transformers process text, covering residual stream norms, per-head source-document attention, entropy, MLP activations, logit-lens trajectories, and three new token-level grounding statistics. We trained a stacking ensemble on 72,135 samples from five hallucination datasets. We tested across seven analyzer architectures from 0.5 billion to 9 billion parameters: Qwen2.5 at 0.5B and 7B, Gemma-2 at 2B and 9B, Pythia at 1.4B, and LLaMA-3 at both 3B and 8B. Across all seven, we consistently beat ReDeEP's token-level AUC of 0.73 on RAGTruth by 7.4 to 10.3 percentage points. Qwen2.5-7B reached an F1 of 0.717, just above ReDeEP's 0.713, while Qwen2.5-0.5B hit 0.706. The most striking finding is how tightly all seven models cluster: AUC spans only 2.3 percentage points across an eighteen-fold difference in model size. Even more surprising, our 3B LLaMA outperforms our 8B LLaMA on RAGTruth, showing that bigger is not always better even within the same model family. Both RAGTruth and LLM-AggreFact include outputs from multiple LLM families, so our results are not skewed toward any particular generator.
Authors: Youngsik Yoon, Sungjae Lee, Seockbean Song, Siwei Wang, Wei Chen, Jungseul Ok
Abstract: Beyond training-time optimization, scaling test-time computation has emerged as a key paradigm to extend the reasoning capabilities of Large Language Models (LLMs). However, most existing methods adopt a rigid Planning-before-Trial (PbT) policy, which inefficiently allocates test-time compute by incurring planning overhead even on directly solvable problems. We propose Planning-after-Trial (PaT), an adaptive policy for code generation that invokes a planner only upon verification failure. This adaptive policy naturally enables a heterogeneous model configuration: a cost-efficient model handles generation attempts, while a powerful model is reserved for targeted planning interventions. Empirically, across multiple benchmarks and model families, our approach significantly advances the cost-performance Pareto frontier. Notably, our heterogeneous configuration achieves performance comparable to a large homogeneous model while reducing inference cost by approximately 69\%.
Authors: Hao Chen, Zavareh Bozorgasl
Abstract: Over-the-air federated learning (OTA-FL) reduces uplink latency by exploiting waveform superposition, but conventional analog aggregation schemes typically require instantaneous channel state information (CSI), channel inversion, and coherent phase alignment, which can be difficult to maintain in practical wireless systems. This paper proposes resource-element energy difference (REED), a noncoherent aggregation primitive for continuous signed updates that avoids instantaneous CSI. REED maps the positive and negative parts of each real-valued update to transmit energies on two orthogonal resource elements with independent phase dithers, and the server estimates the signed aggregate from their energy difference. With only slow-timescale calibration of average channel powers, REED is unbiased for the desired signed sum and admits an exact closed-form variance under Rayleigh fading. We incorporate REED into full-participation FedAvg and prove a smooth nonconvex stationarity bound. Under an average per-client energy budget, the aggregation gain can be scheduled so that the REED-induced perturbation scales quadratically with the local stepsize, yielding the canonical (1/sqrt(T)) stationarity rate. Experiments on MNIST and Fashion-MNIST demonstrate that REED closely matches clean FedAvg and coherent CSIT aggregation in IID settings, while maintaining stable convergence with a moderate performance degradation under strong data heterogeneity.
Authors: Wei-Lun Cheng, Wanjiun Liao
Abstract: Wireless foundation models are rapidly emerging as a key enabler of AI-native communication systems, yet a fundamental question remains unanswered: how large should these models be? We present a principled, physics-grounded answer, showing that the intrinsic dimensionality (dNL, the nonlinear manifold dimension of the channel) acts as the fundamental bottleneck, defining the scaling ceiling once a data-sufficient regime is reached. This dimensionality is not a design choice but a physical constraint: Maxwell's equations, finite scatterers, and antenna aperture inherently constrain wireless propagation environments to a limited number of degrees of freedom -- spanning 5-35 across both real-world OTA measurements and 3GPP-standardized channel models we evaluate -- orders of magnitude below the ~1,000-dimensional semantic space of language. As a consequence, we propose a scaling framework for wireless AI: taking NTN satellite channels as a representative case (dNL ~= 14), scaling gains diminish rapidly beyond ~30 million parameters, entering a stochastic asymptote above 70M where a further 1.6x increase (96M->150M) yields only 0.52 dB. Beyond this ceiling, inference-time adaptation via pilot-aided test-time training (TTT) is far more effective: a compact 12M-parameter model surpasses a static 96M model by 9.9 dB (NMSE, SNR = 20 dB) / 7.6 dB (MCM, SNR = 10 dB) at one-eighth the parameters. With dNL distributions validated across real-world indoor massive MIMO measurements, our scaling laws and TTT gains are demonstrated through NTN satellite simulations, reframing wireless AI design: channel geometry -- not model size -- fundamentally governs the scaling laws of physical-layer wireless AI.
Authors: Al Muhit Muhtadi, Mostafa Rifat Tazwar
Abstract: Indirect prompt injection remains a persistent weakness in retrieval-augmented and tool-using LLM systems, and the problem becomes harder to characterise in multilingual settings. We present MIPIAD, a defense framework evaluated on English and Bangla that combines a sequence classifier fine-tuned from Qwen2.5-1.5B via LoRA (XLPID), TF-IDF lexical features, and validation-tuned ensembling through late fusion, stacking, and gradient boosting. The framework is evaluated on a synthetic benchmark built from BIPIA(Yi et al., 2023) templates spanning five task families -- email, table, QA, abstract, and code-comprising over 1.43 million generated samples, with train and test splits using mutually exclusive attack categories. Across the experiments, lexical signals prove strong (TF-IDF+SVM F1=0.77), and the hybrid XLPID+TF-IDF ensemble achieves the best overall F1 (0.9205) while the Boosting Ensemble achieves the best AUROC (0.9378). Ensemble methods consistently reduce the English-Bangla cross-lingual gap relative to standalone neural models. The pipeline is designed for extensibility: NLLB-200 supports over 200 languages and XLPID's multilingual backbone can be retargeted to additional languages without architectural changes; empirical validation is currently limited to English and Bangla
Authors: Bingqing Jiang, Difan Zou
Abstract: Reinforcement learning from verifiable rewards (RLVR), especially with Group Relative Policy Optimization (GRPO), has shown strong potential for improving the reasoning capabilities of large vision-language models (LVLMs). However, in multimodal reasoning, final-answer rewards are typically assigned at the sequence level and do not distinguish the functional roles of different tokens, making it difficult to determine whether a correct answer is supported by task-relevant visual evidence. In this paper, we revisit multimodal RLVR from the perspective of role-aware token-level credit assignment, where structured responses are decomposed into perception tokens for extracting visual evidence and reasoning tokens for deriving answers from that evidence. Based on this perspective, we propose Structured Role-aware Policy Optimization (SRPO), which refines the sequence-level GRPO advantage into role-aware token-level advantages without changing the reward function. Specifically, SRPO assigns role-specific credit by using self-distilled on-policy contrasts: perception tokens are emphasized according to their visual dependency under original versus corrupted visual inputs, while reasoning tokens are emphasized according to their consistency with the generated perception. These role-specific signals are further unified through a shared trajectory-level baseline, yielding positive token weights that adjust relative update magnitudes while preserving the original GRPO reward and optimization direction, without requiring external reward models or separate teachers. Experiments across diverse multimodal reasoning benchmarks show that SRPO improves evidence-grounded reasoning, highlighting the importance of moving beyond uniform sequence-level credit toward role-aware optimization for reliable multimodal reasoning.
Authors: Kevin Kurian Thomas Vaidyan, Siddharth Rout
Abstract: Random-feature neural networks (RFNNs), including architectures with fixed hidden layers and analytically determined output weights, offer fast training but often suffer from issues due to dense representations of the hidden layer activation. Their reliance on dense feature mappings and least squares solvers can limit scalability and numerical stability, particularly for high-dimensional or stiff systems. Specifically, the activation matrix is observed to be low-rank and extremely ill-conditioned. In this work, we propose a sparse framework for RFNNs that integrates structured sparsity into the hidden layer activations that increases the rank and employs Sparse Singular Value Decomposition (sSVD) for solving the resulting linear least squares problem scalably and efficiently while catering to the bad condition number. We explore the theory behind Lanczos-Golub-Kahan Bidiagonalization technique for sparse SVD and conduct some experiments to identify some limitations and justify the requirement for orthogonalization step in our application. Then, we demonstrate that the proposed method maintains or improves solution accuracy for solving the benchmark one-dimensional steady convection-diffusion equations case having stronger advection, while achieving substantial gains in training efficiency and robustness compared to standard dense implementations.
Authors: Mana Sakai, Masaaki Imaizumi
Abstract: Understanding why trained Transformers generalize well is a fundamental problem in modern machine learning theory, and complexity-based generalization bounds provide a principled way to study this question. While existing norm-based bounds for Transformers remove the explicit polynomial dependence on the hidden dimension, they typically impose fixed norm constraints specified a priori and can exhibit unfavorable exponential dependence on depth. In this paper, we derive spectrum-adaptive post hoc generalization bounds for multi-layer Transformers. Under layerwise spectral norm control, the bounds are expressed in terms of layerwise Schatten quantities of the query-key, value, and feedforward weight matrices. Since the Schatten indices need not be fixed a priori and can instead be selected after training, separately for each matrix type and layer, the bounds adaptively trade off spectral complexity against the dimension- and depth-dependent factors according to the learned singular-value profiles. Empirical comparisons of BERT-adapted proxies for the leading complexity factors suggest that the proxies induced by our bounds grow more slowly with depth and hidden dimension than the corresponding norm-based proxies. Overall, our results provide a complexity-based perspective on how the spectral structure of trained Transformers is reflected in generalization analyses.
Authors: Sum Kyun Song, Bong Gyun Shin, Jae Yong Lee
Abstract: Discovering governing differential equations from observational data is a fundamental challenge in scientific machine learning. Existing symbolic regression approaches rely primarily on quantitative metrics; however, real-world differential equation modeling also requires incorporating domain knowledge to ensure physical plausibility. To address this gap, we propose DoLQ, a method for discovering ordinary differential equations with LLM-based qualitative and quantitative evaluation. DoLQ employs a multi-agent architecture: a Sampler Agent proposes dynamic system candidates, a Parameter Optimizer refines equations for accuracy, and a Scientist Agent leverages an LLM to conduct both qualitative and quantitative evaluations and synthesize their results to iteratively guide the search. Experiments on multi-dimensional ordinary differential equation benchmarks demonstrate that DoLQ achieves superior performance compared to existing methods, not only attaining higher success rates but also more accurately recovering the correct symbolic terms of ground truth equations. Our code is available at https://github.com/Bon99yun/DoLQ.
Authors: Sachin Kumar
Abstract: Backdoor attacks on language models pose a significant threat to AI safety, where models behave normally on most inputs but exhibit harmful behavior when triggered by specific patterns. Detecting such backdoors through mechanistic interpretability remains an open challenge. We investigate two sparse autoencoder architectures -- Crosscoders and Differential SAEs (Diff-SAE) -- for isolating backdoor-related features in fine-tuned models. Using a controlled SQL injection backdoor triggered by year-based context ("2024" triggers vulnerable code, "2023" triggers safe code), we evaluate both approaches across LoRA and full-rank fine-tuning regimes on SmolLM2-360M. We find that Diff-SAE consistently and substantially outperforms Crosscoders for backdoor isolation. Diff-SAE achieves a Backdoor Isolation Score (BIS) of 0.40 with perfect precision (1.0) and zero false positive rate across most experimental conditions, while Crosscoders fail almost entirely with BIS below 0.02 in most cases. This performance gap holds across multiple transformer layers (14, 18, 22, 26) and both fine-tuning regimes, with full-rank fine-tuning producing particularly clean backdoor signals. Our results suggest that backdoors manifest as directional activation shifts rather than sparse feature activations, making difference-based representations fundamentally more effective for detection. These findings have important implications for AI safety monitoring and the development of interpretability tools for detecting model manipulation.
Authors: Sibayan Mitra (BITS Pilani), Dhruv Kumar (BITS Pilani)
Abstract: Mean-pooled cosine similarity is the default metric for comparing neural representations across languages, modalities, and tasks. We establish that this metric is not length-invariant: under the anisotropy that characterizes modern transformer representations, mean-pooled cosine grows monotonically in sequence length, independent of representational content. Empirically, on HumanEvalPack across four code LLMs, the length ratio alone explains $R^2 = 0.52$--$0.75$ of cross-language "Python proximity," while AST depth and shared-token fraction add less than 3% of explained variance beyond length. Substituting Centered Kernel Alignment (CKA) reduces explained variance by 83% and reverses the sign of the length coefficient ($\beta_{\mathrm{len}}: +0.86 \to -0.37$). The same pattern holds in Mistral-7B on parallel WMT pairs ($R^2 = 0.23$ EN-FR, $R^2 = 0.33$ EN-DE for cosine; $R^2 < 0.01$ for CKA). In CLIP ViT-B/32, mean-pooling reduces the length effect relative to EOS-pooling ($R^2: 0.21 \to {<}0.01$), as predicted by the theory's dependence on anisotropy. We argue that length-invariant metrics such as CKA should be the default for cross-representation comparisons, and that recent claims of cross-lingual representational convergence built on mean-pooled cosine warrant re-examination.
Authors: A. Azamnouri, M. Haug, L. Woltmann, M. Fritz, J. Bogner, S. Wagner
Abstract: The integration of machine learning (ML) into complex software systems has increased challenges in collaboration and communication (CoCo) of the teams building these systems. ML engineering (MLE) teams often involve diverse roles, ML engineers, data scientists, software engineers, and domain experts, each bringing unique goals, experiences, and jargon. These interdisciplinary dynamics can make it challenging to deploy, reproduce, and maintain ML-enabled systems over the long term. Previous studies have uncovered several CoCo challenges and practices, but most have focused on software-centric companies, leaving limited empirical understanding of how these dynamics unfold in hardware-centric contexts. In hardware-centric environments, CoCo challenges are shaped by additional constraints such as strict data governance, long development cycles, and tight coupling with physical processes, which amplify coordination complexity and reduce flexibility. To strengthen empirical understanding in such settings, we present a qualitative investigation of MLE teams within a global semiconductor company, where ML-enabled systems and manufacturing processes introduce additional complexity. We interviewed 12 practitioners regarding CoCo practices, tools, challenges, and approaches. Through analysis, we identified 16 recurring challenges, with unclear roles and responsibilities emerging as the most critical, and common practices and recommendations practitioners considered effective in mitigating CoCo problems. While grounded in a single organizational context, our findings align with known issues in interdisciplinary ML-enabled systems development, but also demonstrate how these challenges manifest differently under hardware-driven constraints. Our results highlight directions for future research and tool support to strengthen CoCo in MLE projects and ensure the success of ML-enabled systems.
Authors: Baishi Li, Ta Yu, Kelvin J. L. Koa, Ke-Wei Huang
Abstract: Natural Language Processing is rapidly evolving into a primary instrument for Computational Social Science, with researchers increasingly using embeddings to measure latent constructs such as novelty, creativity, and bias. However, this transition faces a fundamental validity challenge: the ''Proxy Presumption,'' or the reliance on geometric properties (e.g., cosine distance) as direct measures of social concepts. We argue that without explicit validation, unsupervised representations remain entangled mixtures of the target construct ($C$) and confounding attributes ($Z$) like topic, style, and authorship. To bridge the gap between semantic embeddings and valid social measures, we introduce the Construct Validity Protocol (CVP). Drawing on causal representation learning and psychometrics, the CVP offers a rigorous pipeline from conceptualization to quantitative verification. We further propose Counterfactual Neutralization, a novel method using LLMs to reduce confounding in embedding space. By providing a standardized Validity Suite -- including tests for discriminant, incremental, and predictive validity -- this work offers the community a toolkit to transform heuristic proxies into robust, scientifically defensible instruments.
Authors: Mohammad Hasan Ahmadilivani, Marten Roots, Marco Restifo, Sven-Markus Loorits, Luca Di Mauro, Jaan Raik
Abstract: Modern Deep Learning (DL) workloads are increasingly deployed in safety-critical domains, such as automotive systems and hyperscale data centers, where transient hardware faults pose a serious threat to system reliability. These workloads are highly memory-intensive, and their correct functionality strongly depends on model parameters stored in memory, which are typically protected using Error Correction Codes (ECCs). In this work, we study ECC's impact on such models and propose two lightweight alternatives to ECCs that achieve superior reliability. The first approach, MSET, selectively hardens the most vulnerable bits in CNN and ViT parameters, while the second approach, CEP, provides fine-grained protection for all parameter bits. Experimental results demonstrate that both methods significantly enhance the reliability of large CNNs and ViTs, mostly outperforming conventional Single Error Detection Double Error Correction (SECDED) ECC schemes, with no memory overhead and, in fact, with considerably lower area and delay characteristics when compared to SECDEC. Experimental results indicate that ViTs can be effectively protected by merely protecting their highest exponent bits in FP16 and FP32 representations. Furthermore, applying the CEP technique can guarantee the resilience of DNNs by up to one order of magnitude higher BERs, with a 3.5x lower area overhead and 7x faster decoder compared to SECDED ECC.
Authors: Changhoe Hwang, Jee-Sun Nam, Eric Laporte
Abstract: Chatbots are robots that can communicate with humans using text or voice signals. Legal chatbots improve access to justice, since legal representation and legal advice by lawyers come with a high cost that excludes disadvantaged and vulnerable people. However, capturing the diversity of actual user input in datasets for deep-learning dialog systems (chatbots) is a technical challenge. Diversity requires large volumes of data, which must also be labelled in order to classify the user's intent, while the cost of labelling datasets increases with volume. Instead of labelling large volumes of authentic data from users, our approach consists in jointly generating large volumes of utterances and high-quality labels. The generator of labelled datasets is based on language resources that take the form of local grammar graphs (LGG), which capture and generalize the vocabulary and local syntax observed by linguists in text. The LGGs associate labels to the utterances according to a domain-specific classification system. We tested this approach by implementing LIGA, a legal chatbot in Korean. The chatbot answers users' conversational queries on legal situations by providing information on similar legal cases, made publicly available by the Korean government. We generated labelled utterances from the LGGs with the aid of the open-source Unitex platform. This process produced 700 million utterances. We trained a DIET classifier on a dataset made of these utterances, and the trained model reached 91% f1-score performance. We implemented a chatbot called LIGA, which uses the results of the model to select a link to a web page that documents similar legal cases.
Authors: Ond\v{r}ej Huvar, Nikola Bene\v{s}, Martin Jon\'a\v{s}, David \v{S}afr\'anek, Samuel Pastva
Abstract: Qualitative models provide crucial instruments for modelling complex biological systems. While advances in automated reasoning and symbolic encodings have enabled rigorous inference of these models from data, the process remains highly fragile. First, biological measurement errors inevitably propagate into formal model specifications. Second, when a specification becomes unsatisfiable, distinguishing between fundamental design flaws and minor technical errors is notoriously difficult. This uncertainty often leads to under-specification, as it is unclear which observations are still ``safe'' to incorporate. To overcome these challenges, we introduce a robust inference method based on weighted MaxSMT. By encoding uncertain biological observations as weighted soft constraints, our approach enables the solver to identify a model best reflecting the observations, even with some conflicting constraints. Our method allows for Boolean and multi-valued variable domains, alongside observations derived from discretisation (level constraints) and differential expression (ordering constraints). We show our approach can be used to successfully infer neural cell differentiation models from prior-knowledge networks with 200--1300 genes using ordering constraints on all included genes.
Authors: Suwon Choi, Shinwoo Kim, Changhoe Hwang, Gwanghoon Yoo, Eric Laporte, Jeesun Nam
Abstract: We report the construction of a Korean evaluation-annotated corpus, hereafter called 'Evaluation Annotated Dataset (EVAD)', and its use in Aspect-Based Sentiment Analysis (ABSA) extended in order to cover e-commerce reviews containing sentiment and non-sentiment linguistic patterns. The annotation process uses Semi-Automatic Symbolic Propagation (SSP). We built extensive linguistic resources formalized as a Finite-State Transducer (FST) to annotate corpora with detailed ABSA components in the fashion e-commerce domain. The ABSA approach is extended, in order to analyze user opinions more accurately and extract more detailed features of targets, by including aspect values in addition to topics and aspects, and by classifying aspectvalue pairs depending whether values are unary, binary, or multiple. For evaluation, the KoBERT and KcBERT models are trained on the annotated dataset, showing robust performances of F1 0.88 and F1 0.90, respectively, on recognition of aspect-value pairs.
Authors: Hao Wang, Yiqun Sun, Pengfei Wei, Lawrence B. Hsieh, Daisuke Kawahara
Abstract: Vision-language models (VLMs) have advanced rapidly and are increasingly deployed in real-world applications, especially with the rise of agent-based systems. However, their safety has received relatively limited attention. Even the latest proprietary and open-weight VLMs remain highly vulnerable to adversarial attacks, leaving downstream applications exposed to significant risks. In this work, we propose a novel and lightweight adversarial attack detection framework based on sparse autoencoders (SAEs), termed SAEgis. By inserting an SAE module into a pretrained VLM and training it with standard reconstruction objectives, we find that the learned sparse latent features naturally capture attack-relevant signals. These features enable reliable classification of whether an input image has been adversarially perturbed, even for previously unseen samples. Extensive experiments show that SAEgis achieves strong performance across in-domain, cross-domain, and cross-attack settings, with particularly large improvements in cross-domain generalization compared to existing baselines. In addition, combining signals from multiple layers further improves robustness and stability. To the best of our knowledge, this is the first work to explore SAE as a plug-and-play mechanism for adversarial attack detection in VLMs. Our method requires no additional adversarial training, introduces minimal overhead, and provides a practical approach for improving the safety of real-world VLM systems.
Authors: Jun Liu
Abstract: To overcome the limitations of classical partially connected Boltzmann machines and mainstream quantum Boltzmann machines (QBMs), this work extends the conventional circuit of the quantum approximate optimization algorithm (QAOA) to a bilevel optimization architecture and proposes a fully connected QBM. The inner-loop training simulates positive phase energy minimization based on the computational process of the conventional QAOA circuit, whereas the outer-loop training simulates negative phase contrastive divergence learning by optimizing the structural parameters of the target Hamiltonian. It is found that, first, the model exhibits superior performance using only a single layer (p=1) in the QAOA circuit, with an average probability of 0.9559 in measuring the target quantum state under noiseless conditions. Second, the model exhibits notable noise robustness. Under the typical noise level of current mainstream commercial quantum computing devices, the average probability of measuring the target quantum state reaches 0.6047; when the noise rises to a more stringent level with doubled intensity, this probability remains at 0.3859. In both scenarios, the target quantum state maintains the highest measurement probability among all detected states, with a value several times higher than that of the second-ranked state. This indicates that the model retains strong robustness even when noise meets or exceeds the upper limit of current mainstream commercial quantum computing devices. Third, under a block-by-block learning strategy with p=1 and only 10 measurement shots, the model consistently generates the target "qubit" grid image regardless of noise interference, demonstrating strong robustness in image generation.
Authors: Jinhao Jing, Qiannian Zhao, Chao Huang, Zhan Su
Abstract: The scaling of Large Multimodal Models (LMMs) is constrained by the quality-quantity trade-off inherent in synthetic data. Previous approaches, such as LLM-as-a-Judge, have proven their effectiveness in addressing this but suffer from prohibitive computational costs and lack of interpretability. To bridge this gap, we propose One-Step-Train (OST), a framework that reformulates data selection as an incremental optimization utility ranking problem. Instead of relying on semantic heuristics, OST estimates the marginal utility of each sample via a simulated single-step update on a lightweight proxy. Experiments on the Qwen series across multimodal mathematical reasoning benchmarks demonstrate that OST achieves Pareto-optimal efficiency. By selecting the top-50 subset, OST reduces training costs by 43% (and total time consumption by 17) while surpassing the strong LLM-as-a-Judge baseline by 1.8 points. Furthermore, under a fixed compute budget, our method using only the top-20 subset achieves a 5.6 point gain over LLM-as-a-Judge, improves upon heuristic scoring baselines like DEITA, and outperforms the Full-SFT baseline by 8.8 points. Notably, while Full-SFT suffers from performance degradation due to noise, our optimization-grounded approach effectively identifies toxic samples, successfully reversing the negative transfer frequently observed in complex reasoning tasks.
Authors: Yubin Wu, Zicheng Cai, Liping Ning, Hua Wang, Zhi Chen, Yaohua Tang, Hao Chen
Abstract: Developing lightweight, on-device vision-language GUI agents is essential for efficient cross-platform automated interaction. However, current on-device agents are constrained by limited model capacity, and further performance improvements remain urgently needed. Traditional Supervised Fine-Tuning (SFT) for small-scale models often leads to overfitting, catastrophic forgetting and policy rigidity, and thus fails to fully address these challenges. In this work, we propose a novel SFT-free training paradigm that significantly enhances the performance of small-scale models. We first present the initial systematic integration of generalized knowledge distillation into the GUI agent domain via Guided On-policy Distillation. By incorporating oracle reference trajectories together with a dynamic retrieval mechanism, our method reduces hallucinations and mitigates the cognitive misalignment inherent in multi-solution GUI tasks. Building on this foundation, we further introduce a Multi-solution Dual-level GRPO framework that jointly aligns macro-level subtask planning with micro-level execution matching, thereby improving exploration in long-horizon GUI agent scenarios. In addition, we construct an automated data generation pipeline to synthesize GUI task trajectories with rich multi-solution annotations. Extensive experiments show that our method achieves state-of-the-art performance among lightweight models while remaining competitive with substantially larger-scale models across all benchmarks. Ablation studies further demonstrate that structured on-policy distillation and multi-solution dual-level exploration can fully unlock the capabilities of 2B/3B scale agents, surpassing the performance limits of conventional imitation learning.
Authors: Henghui Xu, Yuchen Zhang, Xiaobo Ma
Abstract: Detecting stealthy malicious communications from flow logs under benign-only training remains a critical challenge in network security. Malicious communications often camouflage as normal traffic like standard HTTPS flows. Conventional intrusion detectors rely strictly on known labeled attacks. Alternatively, they score flows completely independently. These approaches fail against sparse and context-dependent suspicious activity. To capture this essential context, graph anomaly detectors have been introduced to add valuable relational information to the analysis. However, existing methods fail to test the structural consistency of specific communication edges. To overcome these fundamental limitations, we present GESR, a novel graph-based framework for detecting suspicious communications and anomalous hosts under a benign-only training setting. GESR models complex network activity as attributed communication graphs. It cleverly reconstructs edge semantics entirely from local structural context rather than isolated features. This non-intuitive design forces the framework to predict expected communication patterns from neighborhood topologies. Attackers cannot easily manipulate this deep structural dependency. The model then converts the resulting structural inconsistencies into host-level anomaly scores. It utilizes robust Median Absolute Deviation (MAD) calibration for this final step. We evaluate GESR extensively on CTU-13 and CICIDS2017 datasets. These evaluations strictly impose tight false-positive operating constraints. On CICIDS2017, GESR achieves an outstanding ROC-AUC of 0.9753. It also yields a high TPR of 0.8569 at a strict 5% FPR threshold. GESR consistently outperforms existing methods across both evaluated benchmarks. The results prove that structure-conditioned edge reconstruction is a credible direction for practical intrusion detection.
Authors: Christopher Ries, Moussa Kassem Sbeyti, Nicolas Bianco, Nadja Klein
Abstract: Conformal Prediction (CP) is a distribution-free method for constructing prediction sets with marginal finite-sample coverage guarantees, making it a suitable framework for reliable uncertainty quantification in safety-critical object detection. However, object detection introduces structured multi-output predictions, complicating the application of classical CP theory developed for single outputs. In addition, standard, unscaled CP produces fixed-width prediction intervals across inputs, leading to unnecessary width for low-uncertainty predictions. While scaled CP addresses this by adapting the interval width to an input-dependent uncertainty estimate, prior work has neither systematically compared unscaled and scaled CP for multi-class object detection, nor integrated CP with a complementary uncertainty quantification method in this setting. We fill this gap by: (i) applying CP coordinate-wise to bounding box corners with a Bonferroni correction for box-level guarantees; (ii) scaling the resulting intervals using per-prediction aleatoric uncertainty estimates derived from a probabilistic object detector trained with loss attenuation, evaluated in uncalibrated and two calibrated variants; (iii) extending to a two-step pipeline that constructs prediction sets for the class using RAPS and conditions the conformalized bounding boxes on the predicted class set. Across three autonomous driving datasets (KITTI, BDD, CODA), including a cross-domain setting under distribution shift, scaled CP consistently improves interval sharpness over unscaled CP, achieving up to 19% higher IoU and 39% lower interval scores, without sacrificing coverage. Class-wise calibration further improves coverage for both variants with a negligible effect on sharpness. Together, these improvements yield more actionable uncertainty estimates for real-time, real-world object detection.
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: Zhengyang Tang, Yi Zhang, Chenxin Li, Xin Lai, Pengyuan Lyu, Yiduo Guo, Weinong Wang, Junyi Li, Yang Ding, Huawen Shen, Zhengyao Fang, Xingran Zhou, Liang Wu, Fei Tang, Sunqi Fan, Shangpin Peng, Zheng Ruan, Anran Zhang, Benyou Wang, Chengquan Zhang, Han Hu
Abstract: When a phone-use agent avoids harm, does that show safety, or simply inability to act? Existing evaluations often cannot tell. A harmful outcome may be avoided because the agent recognized the risk and chose the safe action, or because it failed to understand the screen or execute any relevant action at all. These cases have different causes and call for different fixes, yet current benchmarks often merge them under task success, refusal, or final harmful outcome. We address this problem with PhoneSafety, a benchmark of 700 safety-critical moments drawn from real phone interactions across more than 130 apps. Each instance isolates the next decision at a risky moment and asks a simple question: does the model take the safe action, take the unsafe action, or fail to do anything useful? We evaluate eight representative phone-use agents under this framework. Our results reveal two main patterns. First, stronger general phone-use ability does not reliably imply safer choices at risky moments. Models that perform better on ordinary app tasks are not always the ones that behave more safely when the next action matters. Second, failures to do anything useful behave like a capability signal rather than a safety signal: they are concentrated in more visually and operationally demanding settings and remain stable when the evaluation protocol changes. Across models, failures split into two recurring patterns: unsafe choices in settings where the model can act but chooses wrongly, and inability to act in more visually and operationally demanding screens. Overall, a harmless outcome is not enough to count as evidence of safety. Evaluating phone-use agents requires separating unsafe judgment from inability to act.
Authors: Marcel Binz, Elif Akata, Abdullah Almaatouq, Mohammed Alsobay, Oleksii Ariasov, Franziska Br\"andle, David Broska, Jason W. Burton, Nuno Busch, Frederick Callaway, Vanessa Cheung, Brian Christian, Julian Coda-Forno, Can Demircan, Vittoria Dentella, Maria K. Eckstein, No\'emi \'Eltet\H{o}, Michael Franke, Thomas L. Griffiths, Fritz G\"unther, Susanne Haridi, Sebastian Hellmann, Stefan Herytash, Linus Hof, Eleanor Holton, Isabelle Hoxha, Zak Hussain, Akshay Jagadish, Elif Kara, Valentin Kriegmair, Evelina Leivada, Li Ji-An, Tobias Ludwig, Maximilian Maier, Marcelo G. Mattar, Marvin Mathony, Alireza Modirshanechi, Robin Na, Mariia Nadverniuk, Antonios Nasioulas, Surabhi S. Nath, Helen Niemeyer, Kate Nussenbaum, Sebastian Olschewski, Thorsten Pachur, Stefano Palminteri, Aliona Petrenco, Camille V. Phaneuf-Hadd, Angelo Pirrone, Manuel Rausch, Laura Raveling, Shashank Reddy, Milena Rmus, Evan M. Russek, Tankred Saanum, Kai Sandbrink, Louis Schiekiera, Johannes A. Schubert, Luca M. Schulze Buschoff, Nishad Singhi, Leah H. Somerville, Mikhail S. Spektor, Xin Sui, Christopher Summerfield, Mirko Thalmann, Anna I. Thoma, Taisiia Tikhomirova, Vuong Truong, Polina Tsvilodub, Konstantinos Voudouris, Robert C. Wilson, Kristin Witte, Shuchen Wu, Dirk U. Wulff, Hua-Dong Xiong, Songlin Xu, Lance Ying, Xinyu Zhang, Jian-Qiao Zhu, Eric Schulz
Abstract: Large language models (LLMs) are increasingly used as surrogates for human participants, but it remains unclear which models best capture human behavior and why. To address this, we introduce Psych-201, a novel dataset that enables us to measure behavioral alignment at scale. We find that post-training -- the stage that turns base models into useful assistants -- consistently reduces alignment with human behavior across model families, sizes, and objectives. Moreover, this misalignment widens in newer model generations even as base models continue to improve. Finally, we find that persona-induction -- a popular technique for eliciting human-like behavior by conditioning models on participant-specific information -- does not improve predictions at the level of individuals. Taken together, our results suggest that the very processes that are currently employed to turn LLMs into useful assistants also make them less accurate models of human behavior.
Authors: Manojlo Vukovic, Dusan Jakovetic
Abstract: We consider a first order stochastic optimization framework where, at each iteration, $K$ independent identically distributed (i.i.d.) data point samples are drawn, based on which stochastic gradients can be queried. We allow gradient noise to be heavy-tailed, with possibly infinite variances. For the considered heavy-tailed setting, many algorithmic variants have recently been proposed based on gradient clipping or other nonlinear operators (e.g., normalization) applied over noisy gradients. In this paper, we take an alternative approach and propose a novel stochastic first order method dubbed Robust Stochastic Gradient Descent with medoid mini-batch gradient sampling, R-SGD-Mini for short. The core idea of R-SGD-Mini is to split the $K$-sized data batch into $M$ distinct data chunks, form for each chunk the stochastic gradient, and update the solution estimate with respect to the stochastic gradient direction of the chunk that is medoid of gradients of all data-chunks. Under a general class of symmetric heavy-tailed gradient noises and a standard non-convex setting, we establish explicit bounds on the expected time-averaged squared gradient norm. More precisely, we show that the latter quantity converges at rate $\mathcal{O}(T^{-1})$ to a small neighborhood of zero; we explicitly characterize this neighborhood in terms of noise and algorithm's parameters. Moreover, if the time horizon is known in advance, we establish the rate of $\mathcal{O}(T^{-\frac{1}{2}}).$ Furthermore, when clipping is incorporated, we obtain convergence guaranties in the high-probability sense and recover the same rate. Experimental results indicate that R-SGD-Mini and its clipped variant consistently perform favorably compared to SGD, clipped SGD and Median-of-Means based methods.
Authors: Valeriy Vyaltsev, Alsu Sagirova, Anton Andreychuk, Yuri Kuratov, Konstantin Yakovlev, Aleksandr Panov, Alexey Skrynnik
Abstract: Multi-agent pathfinding (MAPF) is a widely used abstraction for multi-robot trajectory planning problems, where multiple homogeneous agents move simultaneously within a shared environment. Although solving MAPF optimally is NP-hard, scalable and efficient solvers are critical for real-world applications such as logistics and search-and-rescue. To this end, the research community has proposed various decentralized suboptimal MAPF solvers that leverage machine learning. Such methods frame MAPF (from a single agent perspective) as a Dec-POMDP where at each time step an agent has to decide an action based on the local observation and typically solve the problem via reinforcement learning or imitation learning. We follow the same approach but additionally introduce a learnable communication module tailored to enhance cooperation between agents via efficient feature sharing. We present the Local Communication for Multi-agent Pathfinding (LC-MAPF), a generalizable pre-trained model that applies multi-round communication between neighboring agents to exchange information and improve their coordination. Our experiments show that the introduced method outperforms the existing learning-based MAPF solvers, including IL and RL-based approaches, across diverse metrics in a diverse range of (unseen) test scenarios. Remarkably, the introduced communication mechanism does not compromise LC-MAPF's scalability, a common bottleneck for communication-based MAPF solvers.
Authors: Yinsheng Yao, Jiehao Tang, Zhaozhen Yang, Dawei Cheng
Abstract: While explicit reasoning trajectories enhance model interpretability, existing paradigms often rely on monolithic chains that lack intermediate verification, allowing early errors to cascade unchecked. This lack of modularity impedes granular auditing and compromises the epistemic trust required for high-stakes applications. We propose MAVEN (Multi-Agent Verification-Elaboration Network with In-Step Epistemic Auditing), a blackboard-inspired framework designed to transform LLMs into deliberate reasoners through explicit role-decoupling. At its core, MAVEN operationalizes an adversarial Skeptic-Researcher-Judge loop, simulating expert deliberation by functionally separating logical defense from factual grounding. Experiments on OpenBookQA, TruthfulQA, HALUEVAL and StrategyQA benchmarks demonstrate that MAVEN delivers superior reasoning quality across four fine-grained metrics. Notably, MAVEN consistently outperforms latent reasoning models such as GEMINI-3.1-Pro and consensus-based baselines (e.g., ReConcile) by generating explicitly structured, modular, and verifiable deliberation trajectories, rather than relying on implicit internal states or post-hoc consensus. Moreover, comprehensive evaluations confirm that MAVEN is fully model-agnostic, serving as a strong and transferable reasoning booster that yields substantial performance improvements across diverse backbone models.
Authors: Naoto Iwase, Yuki Ichihara, Mohammad Atif Quamar, Junpei Komiyama
Abstract: Large Language Models often improve accuracy on reasoning tasks by sampling multiple Chain-of-Thought (CoT) traces and aggregating them with majority voting (MV), a test-time technique called self-consistency. When we truncate a CoT partway through and regenerate the remainder, we observe that traces with correct answers reproduce their original answer more often than traces with wrong answers. We use this difference as a reliability signal, prefix consistency, that weights each candidate answer by how often it reappears under regeneration. It requires no access to token log-probabilities or self-rating prompts. Across five reasoning models and four math and science benchmarks, prefix consistency is the best correctness predictor in most settings, and reweighting votes by it reaches Standard MV plateau accuracy at up to 21x fewer tokens (median 4.6x). Our code is available at https://github.com/naoto-iwase/prefix-consistency.
Authors: Florian A. D. Burnat, Brittany I. Davidson
Abstract: Data valuation methods allocate payments and audit training data's contribution to machine-learning pipelines; however, they often assume passive contributors. In reality, contributors can split datasets across pseudonymous identities, duplicate high-value examples, create near-duplicates, or launder synthetic variants to inflate their share. We formalize this as false-name manipulation in ML data attribution. Our main construction is the quotient semivalue mechanism: compute Shapley-, Banzhaf-, or Beta-style values over evidence-backed attribution clusters instead of raw identities, using a canonical-representative operator to absorb within-cluster duplication. We prove an impossibility: on a fixed monotone data-value game, exact Shapley-fair attribution over reported identities is incompatible with unrestricted false-name-proofness, even on binary-valued instances, and characterize the split-gain of a general semivalue on a unanimity counter-example. The mechanism is exactly false-name-proof under two structural conditions: false-name-neutral within-cluster allocation and quotient-stable manipulations. Under imperfect provenance, when these conditions hold approximately, manipulation gain and fairness loss are bounded by three measurable quantities: escaped-cluster mass, value-estimation error, and clustering distance. We instantiate the mechanisms in DataMarket-Gym, a benchmark for attribution under strategic provider attacks. On synthetic classification tasks, quotient semivalues with example-level evidence reduce manipulation gain on duplicate and near-duplicate Sybil attacks from $1.74$ under baseline Shapley to $0.96$, near the honest level. The cosine-threshold and (false-merge, false-split) rate sweeps trace the corresponding fairness--Sybil frontier.
Authors: Hugh Dance, Johnny Xi, Peter Orbanz, Benjamin Bloem-Reddy
Abstract: Estimating counterfactual distributions under interventions is central to treatment risk assessment and counterfactual generation tasks. Existing approaches model the counterfactual distribution as a standalone generative target, without exploiting its relationship to the observational data. In this work, we show that under standard assumptions, observational and counterfactual outcome distributions are tightly linked: they have identical support and tail behavior, remain statistically close under weak confounding, and share any features of high-dimensional outcomes which are invariant to confounders. These properties motivate learning counterfactual distributions not from scratch, but via a deconfounding flow from the observational distribution. We formulate this problem via flow-matching and derive a semiparametrically efficient estimator based on a novel efficient influence function correction. We subsequently extend our estimator to target minimal-energy flows in high-dimensions, which we show can be especially simple targets between observational and counterfactual distributions. In experiments, deconfounding flows outperform existing debiased counterfactual distribution estimators, while also mitigating known failure modes of flow-based methods.
Authors: Florian A. D. Burnat
Abstract: Regulatory audits of AI systems increasingly rely on differential privacy (DP) to protect training data and model internals. We study audit design when the audited developer can strategically respond to the privacy-constrained audit interface. We formalize privacy-constrained auditing as a bilevel Stackelberg game, in which an auditor commits to a query policy and DP budget allocation across harm dimensions, and a strategic developer reallocates mitigation efforts in response. We introduce the welfare-weighted under-detection gap $B_w$, the welfare-weighted true residual harm the audit fails to detect at the developer's strategic best response, and prove that naive DP auditing (uniform or harm-proportional allocation) induces a strictly larger $B_w$ than any non-strategic mitigation baseline whenever effective detectability is heterogeneous, the welfare weights are not comonotone with detectability, and the developer's optimum is interior. We characterize the optimal auditor allocation as a four-factor balance of welfare weight, audit miss-probability, detectability elasticity, and mitigation-cost curvature, and provide a single-level reformulation of the bilevel problem via the developer's KKT system. We propose Strategic Private Audit Design (SPAD), a projected-gradient algorithm with hypergradients computed through the developer's best response.
Authors: Yanis Merzouki, Coral Izquierdo, Matei Ignuta-Ciuncanu, Marcos Gomez-Bracamonte, Riccardo Maggioni, Alessandro Lombardi, Camilla Mazzoleni, Federico Martelli, Balazs Gunther, Jonas Petersen, Philipp Petersen
Abstract: We introduce FactoryBench, a benchmark for evaluating time-series models and LLMs on machine understanding over industrial robotic telemetry. Q&A pairs are organized along four causal levels (state, intervention, counterfactual, decision) instantiating Pearl's ladder of causation, and span five answer formats: four structured formats are scored deterministically and free-form answers are scored by an LLM-as-judge voting protocol. We propose a scalable Q&A generation framework built around structured question templates, present FactoryWave (a dense, multitask, multivariate sensor dataset collected from a UR3 cobot and a KUKA KR10 industrial arm), and construct FactoryBench as a large-scale benchmark of over 70k Q&A items grounded in roughly 15k normalized episodes from FactoryWave, AURSAD, and voraus-AD. Zero-shot evaluation of six frontier LLMs shows that no model exceeds 50% on structured levels or 18% on decision-making, revealing a wide gap between current models and operational machine understanding.
Authors: Victor Conchello Vendrell, Arnau Padres Masdemont, Niccol\`o Grillo, Jordi Ros-Giralt, Arash Behboodi, Fabio Valerio Massoli
Abstract: Recurrent LLM architectures have emerged as a promising approach for improving reasoning, as they enable multi-step computation in the embedding space without generating intermediate tokens. Models such as Ouro perform reasoning by iteratively updating internal representations while retaining a standard Key-Value (KV) cache across iterations, causing memory consumption to grow linearly with reasoning depth. Consequently, increasing the number of reasoning iterations can lead to prohibitive memory usage, limiting the practical scalability of such architectures. In this work, we propose Memory-Efficient Looped Transformer (MELT), a novel architecture that decouples reasoning depth from memory consumption. Instead of using a standard KV cache per layer and loop, MELT maintains a single KV cache per layer that is shared across reasoning loops. This cache is updated over time via a learnable gating mechanism. To enable stable and efficient training under this architecture, we propose to train MELT using chunk-wise training in a two phase procedure: interpolated transition, followed by attention-aligned distillation, both from the LoopLM starting model to MELT. Empirically, we show that MELT models fine-tuned from pretrained Ouro parameters outperform standard LLMs of comparable size, while maintaining a memory footprint comparable to those models and dramatically smaller than Ouro's. Overall, MELT achieves constant-memory iterative reasoning without sacrificing LoopLM performance, using only a lightweight post-training procedure.
Authors: Hamidreza Eivazi, Henning Wessels
Abstract: Physics-informed operator learning is an attractive candidate for surrogate modeling of microstructures, especially in multiscale finite-element simulations. Its practical use, however, is often limited by the high cost of loss evaluation. We address this bottleneck by combining the Equilibrium Neural Operator (EquiNO) with the QR-based discrete empirical interpolation method (Q-DEIM). EquiNO learns only the modal coefficients of reduced displacement-fluctuation and first Piola-Kirchhoff stress representations built from periodic and divergence-free bases, thereby enforcing periodicity and mechanical equilibrium by construction. Q-DEIM then identifies a small set of spatial points through a column-pivoted QR factorization of the stress basis and restricts constitutive evaluations during training to these points alone. This makes full-batch second-order optimization practical for three-dimensional representative volume elements (RVEs). Homogenized first Piola-Kirchhoff stresses are recovered directly from the offline-averaged reduced stress modes, without the need to reconstruct the full stress field at inference time. We validate the framework on two three-dimensional finite-strain hyperelastic RVEs. Q-DEIM reduces the per-step training cost by roughly three orders of magnitude relative to full-field loss evaluation, while reduced homogenization achieves speed-up factors of order $10^3$ to $10^4$ over direct full-field computations. Despite relying on only a small number of offline snapshot loading paths for basis construction, the method accurately interpolates and extrapolates both microscopic stress fields and homogenized stresses, with prediction quality improving systematically as more snapshots are added.
Authors: Ganchao Wei, John Pearson
Abstract: High-dimensional count data arise in applications such as single-cell RNA sequencing and neural spike trains, where mapping between distributions across successive batches or time points form critical components of data analysis. The recent success of diffusion- and flow-based deep generative models for images, video, and text motivates extending these ideas to count-valued settings, but many existing methods either treat each count as a categorical state or transform counts into a continuous space, neither of which is natural or efficient when the count range is large. We propose count-FM, a flow-matching framework for count data based on a continuous-time birth-death process with local unit jumps. Count-FM learns marginal transitions efficiently in count space through simulation-free training of conditional transition rates, allowing transport between arbitrary count-distributed source and target populations. In simulation, count-FM achieves better sample quality than representative baselines while using substantially fewer parameters. We further apply count-FM to scRNA-seq and neural spike-train data for unconditional generation, transport, and conditional generation. Across these tasks, count-FM yields improved sample quality, greater modeling efficiency, and interpretable transport paths.
Authors: Tiago Ferreira, Kevin Batz, Alexandra Silva
Abstract: We present an SMT-based active learning algorithm for nondeterministic weighted automata (WFAs) as a practical and robust alternative to Hankel/L*-style methods. Our algorithm is parametric in a given semiring and, if it terminates, guaranteed to produce minimal WFAs. We prove partial correctness and provide a sufficient termination condition, which in particular implies termination for all finite semirings. Our extensive experimental evaluation shows that our algorithm is capable of learning numerous minimal WFAs over both finite and infinite semirings, vastly outperforms a naive baseline, and is competitive with a state-of-the-art algorithm while producing significantly smaller automata and requiring less interaction with the teacher.
Authors: Erik B\"orve, Nikolce Murgovski, Morteza Haghir Chehreghani, Leo Laine
Abstract: We investigate interactive trajectory planning subject to uncertainty in the decisions of surrounding agents. To control the ego-agent, we aim to first learn the decision distribution and solve a Stochastic Model Predictive Control (SMPC) problem. To account for errors in the learned distribution, we show that it is possible to utilize Probably Approximately Correct (PAC) learning in combination with Distributionally Robust (DR) optimization to obtain a solution which accounts for the errors induced by the learning model. The results indicate that our PAC learning-based DR-MPC framework provides a method to interpolate between a robust MPC and an omnipotent SMPC, based on the available number of samples.
Authors: Sree Bhattacharyya, Samarth Khanna, Leona Chen, Lucas Craig, Tharun Dilliraj, James Z. Wang
Abstract: Large Language Models (LLMs) are increasingly used in settings where reliable self-assessment is critical. Assessing model reliability has evolved from using probabilistic correctness estimates to, more recently, eliciting verbalized confidence. Confidence, however, has been shown to be an inconsistent and overoptimistic predictor of model correctness. Drawing on cognitive appraisal theory, a framework from human psychology that decomposes self-evaluation into multiple components, we propose a multidimensional perspective on model self-assessment. We elicit six appraisal-based dimensions of self-assessment, alongside confidence, and evaluate their utility for predicting model failure across 12 LLMs and 38 tasks spanning eight domains. We find that competence-related appraisal dimensions, particularly effort and ability, consistently match or outperform confidence across most settings. Effort additionally yields less overoptimistic estimates that remain stable across model sizes. In contrast, affective dimensions provide marginally predictive signals. Furthermore, the most informative dimension varies systematically with task characteristics: effort is most predictive for reasoning-intensive tasks, while ability and confidence dominate on retrieval-oriented tasks. Broadly, our findings indicate that structured multidimensional self-assessment is a promising approach to improving the reliability and safety of language model deployment across diverse real-world settings.
Authors: Dimitrios Mallis, Marco Wang, Ahmet Serdar Karadeniz, Elisa Ricci, Anis Kacem, Djamila Aouada
Abstract: Text-to-CAD has recently emerged as an important task with the potential to substantially accelerate design workflows. Despite its significance, there has been surprisingly little work on Text-to-CAD evaluation, and assessing CAD model generation performance remains a considerable challenge. In this work, we introduce a new evaluation perspective for Text-to-CAD based on automated testing. We propose CADTestBench, the first test-based benchmark for Text-to-CAD, based on CADTests, executable software tests that verify whether a generated CAD model satisfies the geometric and topological requirements of the input prompt. Using CADTestBench, we conduct comprehensive benchmarking of recent Text-to-CAD methods and further demonstrate that CADTests can also guide CAD model generation, yielding simple baselines that surpass performance of current methods. CADTestBench code and data are available at GitHub and Hugging Face dataset.
Authors: Robin Buchta, Carsten Kleiner, Felix Heine, Gabi Dreo Rodosek
Abstract: Advanced persistent threat (APT) attacks remain difficult to detect due to their stealth, adaptability, and use of legitimate system components. Provenance-based intrusion detection systems (PIDS) offer a promising defense by capturing detailed relationships between system components and actions. However, current PIDS rely on predefined or subset-determined thresholds, which limit detection stability and the ability to detect any anomalous behavior in general. Furthermore, related work often neglects the role of process executables, which describe system activity by interacting through a process with files, network components, and other processes. We introduce GRASP, a PIDS based on masked self-supervised classification. GRASP masks the executable information of processes and learns to infer it from their two-hop provenance graph neighborhood, marking misclassified processes as anomalies. It captures behavior patterns for the learned executables without thresholding, making it robust against interference and unknown activities. Evaluations on the DARPA TC and OpTC datasets demonstrate that GRASP consistently detects anomalous behavior, including known attack-related activities, outperforming existing systems. Our PIDS identifies all documented attacks on datasets where the behavior of executables is learnable. In addition, compared to existing systems, GRASP uncovers potentially malicious anomalous behavior not labeled as an attack in the documentation.
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: Kyle Higgins, Guadalupe Gonzalez, Dennis Veselkov, Ivan Laponogov, Kirill Veselkov
Abstract: Understanding how molecular alterations propagate across biological systems to drive disease remains a central challenge. Although high-throughput profiling enables comprehensive characterization of tumor states, most models neglect structured biological relationships or lack interpretability across scales. Here we present PPI-Net, a hierarchical graph neural network that integrates protein-protein interaction (PPI) networks with pathway-level representations to model disease from molecular interactions to functional processes. Patient-specific molecular profiles are embedded within a shared interaction network from STRING and propagated through a multi-layer Reactome hierarchy using graph attention, enabling aggregation of gene-level signals into higher-order biological programs. Across RNA-seq data from ten cancer types from The Cancer Genome Atlas, PPI-Net achieves robust predictive performance, with balanced accuracy exceeding 90% in multiple cohorts. Comparative analysis on RNA-Seq data from breast cancer demonstrated that PPI-Net's integration of the Reactome hierarchy improved balanced accuracy by 6.7% relative to a PPI-only model, while hierarchical multi-level supervision improved balanced accuracy by 12.3% relative to using only a single top-level prediction head. Applying a multi-omics approach using RNA-seq and methylation data improves model interpretation, recovering canonical oncogenic modules, including TP53-AKT signaling and stress response pathways, while revealing convergence onto coherent programs such as ion signaling and cellular responses to stimuli. These results demonstrate that integrating interaction networks with pathway hierarchies enables accurate prediction while providing mechanistic insight into cancer biology.
Authors: Ionut-Vlad Modoranu, Mher Safaryan, Dan Alistarh
Abstract: With the rise in scale for deep learning models to billions of parameters, the computational cost of fine-tuning remains a significant barrier to deployment. While Low-Rank Adaptation (LoRA) has become the standard for parameter-efficient fine-tuning, the need to set a predefined, static rank $r$ requires exhaustive grid searches to balance efficiency and performance. Existing rank-adaptive solutions such as DyLoRA mitigate this by sampling ranks during the training from a predefined distribution. However, they often yield sub-optimal results at higher ranks due to lack of consistent gradient signals across the full hierarchy of ranks, thus making these methods data-inefficient. In this paper, we propose MatryoshkaLoRA, a general, Matryoshka-inspired training framework for LoRA that learns accurate hierarchical low-rank representations by inserting a fixed, carefully crafted diagonal matrix $P$ between the existing LoRA adapters to scale their sub-ranks accordingly. By introducing this simple modification, our general framework recovers LoRA and DyLoRA only by changing $P$ and ensures all sub-ranks embed the available gradient information efficiently. Our MatryoshkaLoRA supports dynamic rank selection with minimal degradation in accuracy. We further propose Area Under the Rank Accuracy Curve (AURAC), a metric that consistently evaluates the performance of hierarchical low-rank adapters. Our results demonstrate that MatryoshkaLoRA learns more accurate hierarchical low-rank representations than prior rank-adaptive approaches and achieves superior accuracy-performance trade-offs across ranks on the evaluated datasets. Our code is available at https://github.com/IST-DASLab/MatryoshkaLoRA.
Authors: Ziyan Li, Naoki Hiratani
Abstract: Online learning from a stream of data is a defining feature of intelligence, yet modern machine learning systems often struggle in this setting, especially under distributional shift. To understand its basic properties, we study the relationship between online and offline learning in the context of kernel regression. We derive a closed-form expression for the function learned by online kernel regression, revealing that online kernel regression is equivalent to offline regression with shifted, inaccurate target outputs. Conversely, we show that by compensating for this effective shift in the teaching signal through target correction, online kernel-based learning can provably learn the same predictor as its offline counterpart. We derive both a closed-form expression for this target correction and an iterative form that can be applied sequentially. Applying this framework to image classification tasks on CIFAR-10 and CORe50, we show that online stochastic gradient descent with iteratively corrected targets outperforms learning with the true targets in continual learning settings. This work therefore provides a basic framework for analyzing and improving online learning in non-stationary environments.
Authors: Alessio Spagnoletti, Tim Y. J. Wang, Marcelo Pereyra, O. Deniz Akyildiz
Abstract: Vision-Language Latent Diffusion Models (LDMs) (Rombach et al., 2022) provide powerful generative priors for inverse problems. However, existing LDM-based inverse solvers typically require a large number of neural function evaluations (NFEs) and backpropagation through large pretrained components, leading to substantial computational costs and, in some cases, degraded reconstruction quality. We propose a unified Euclidean-Wasserstein-2 gradient-flow framework that jointly performs posterior sampling and prompt optimization in the latent space through a single flow that aligns the prior and posterior with the observed data. Combined with few-step latent text-to-image models, this formulation enables low-NFE inference without backpropagation through autoencoders. Experiments across several canonical imaging inverse problems show that our method achieves state-of-the-art performance with significantly reduced computational cost.
Authors: Fabio Cuzzolin
Abstract: Belief functions are a powerful and popular framework for the mathematical characterisation of uncertainty, in particular in situations in which lack of data renders learning a probability distribution for the problem impractical. The first step in a reasoning chain based on belief functions is inference: how to learn a belief measure from the available data. In this survey we focus, in particular, on making inference from statistical data, and review the most significant contributions in the area.
Authors: Giacomo Spigler
Abstract: Active vision -- where a policy controls its own gaze during manipulation -- has emerged as a key capability for imitation learning, with multiple independent systems demonstrating its benefits in the past year. Yet there is no shared benchmark to compare approaches or quantify what active vision contributes, on which task types, and under what conditions. We introduce TAVIS, evaluation infrastructure for active-vision imitation learning, with two complementary task suites -- TAVIS-Head (5 tasks, global search via pan/tilt necks) and TAVIS-Hands (3 tasks, local occlusion via wrist cameras) -- on two humanoid torso embodiments (GR1T2, Reachy2), built on IsaacLab. TAVIS provides three evaluation primitives: a paired headcam-vs-fixedcam protocol on identical demonstrations; GALT (Gaze-Action Lead Time), a novel metric grounded in cognitive science and HRI that quantifies anticipatory gaze in learned policies; and procedural ID/OOD splits. Baseline experiments with Diffusion Policy and $\pi_0$ reveal that (i) active-vision generally helps, but benefits are task-conditional rather than uniform; (ii) multi-task policies degrade sharply under controlled distribution shifts on both suites; and (iii) imitation alone yields anticipatory gaze, with median lead times comparable to the human teleoperator reference. Code, evaluation scripts, demonstrations (LeRobot v3.0; ~2200 episodes) and trained baselines are released at https://github.com/spiglerg/tavis and https://huggingface.co/tavis-benchmark.
URLs: https://github.com/spiglerg/tavis, https://huggingface.co/tavis-benchmark.
Authors: Kandula Eswara Sai Kumar, Parth Dhananjay Danve, Abhishek Chopra, Rut Lineswala
Abstract: The escalating complexity of modern machine learning necessitates solving challenging non-convex optimization problems, particularly in high-dimensional regimes and scenarios contaminated by gross outliers. Traditional approaches, relying on convex relaxations or specialized local search heuristics, frequently succumb to suboptimal local minima and fail to recover the true underlying discrete structures. In this paper, we propose treating these non-convex challenges as a global search problem and introduce a unified framework based on Quantum-Inspired Evolutionary Optimization (QIEO). By leveraging a probabilistic representation inspired by quantum superposition, QIEO maintains a global view of the search space, enabling it to tunnel through local optima that trap conventional gradient-based and greedy solvers. We comprehensively evaluate QIEO across diverse non-convex applications, including sparse signal recovery (gene expression analysis and compressed sensing) and robust linear regression. Extensive benchmarking against state-of-the-art continuous solvers (ADAM, Differential Evolution), classical metaheuristics (Genetic Algorithms), and specialized non-convex algorithms (Iterative Hard Thresholding) demonstrates that QIEO consistently achieves superior structural fidelity, lower mean squared error, and enhanced robustness without support inflation. Our findings suggest that embracing a quantum-inspired global search provides a resilient, unified paradigm for overcoming the inherent intractability of discrete nonconvex machine learning landscapes.
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.
Authors: Chris Elliott, Daniel Murfet
Abstract: We define susceptibilities as a measure of the response of an observable quantity of a parameterized statistical model to a perturbation of the data for a general class of observables. We define estimators for these susceptibilities as statistics in a sequence of n data-points and prove that these estimators are consistent and asymptotically unbiased in the large n regime.
Authors: Zhengrui Xiang, Jiaqi Wu, Fupeng Sun, Heliang Zheng, Yingzhen Li
Abstract: We introduce Discrete Voxel Diffusion (DVD), a discrete diffusion framework to generate, assess, and edit sparse voxels for SLat (Structured LATent) based 3D generative pipelines. Although discrete diffusion has not generally displaced continuous diffusion in image-like generation, we show that it can be an effective first-stage prior for sparse voxel scaffolds. By treating voxel occupancy as a native discrete variable, DVD avoids continuous-to-discrete thresholding and provides a simple framework for voxel generation, uncertainty estimation, and editing. Beyond quality gains, DVD provides more interpretable generation dynamics through explicit categorical modeling. Furthermore, we leverage the predictive entropy as a robust uncertainty metric to identify ambiguous voxel regions and complicated samples, facilitating tasks such as data filtering and quality assessment. Finally, we propose a lightweight fine-tuning strategy using block-structured perturbation patterns. This approach empowers the model to inpaint and edit voxels within a single sampling round, requiring negligible auxiliary computation and no additional model evaluations.
Authors: Zekun Wu (University College London), Ze Wang (University College London), Seonglae Cho (Holistic AI), Yufei Yang (Imperial College London), Adriano Koshiyama (University College London), Sahan Bulathwela (University College London), Maria Perez-Ortiz (University College London)
Abstract: When a tool-calling agent picks the wrong tool, the failure is invisible until execution: the email gets sent, the meeting gets missed. Probing 12 instruction-tuned models across Gemma 3, Qwen 3, Qwen 2.5, and Llama 3.1 (270M to 27B), we find the identity of the chosen tool is linearly readable and steerable inside the model. Adding the mean-difference between two tools' average internal activations switches which tool the model selects at 77-100% accuracy on name-only single-turn prompts (93-100% at 4B+), and the JSON arguments that follow autoregressively match the new tool's schema, so flipping the name is enough. The same per-tool means also flag likely errors before they happen: on Gemma 3 12B and 27B, queries where the gap between the top-1 and top-2 tool is smallest produce 14-21x more wrong calls than queries with the largest gap. The causal effect concentrates along one direction, the row of the output layer that produces the target tool's first token: a unit vector along it at matched magnitude already reaches 93-100%, while what is left over leaves the choice almost untouched. Activation patching localises this to a small set of mid- and late-layer attention heads, and a within-topic probe across 14 same-domain $\tau$-bench airline tools reaches top-1 61-89% across five 4B-14B models, ruling out the reading that we are just moving the model along a topic axis. Even base models encode the right tool before they can emit it: cosine readout from the internal state recovers 69-82% on BFCL while base generation reaches only 2-10%, suggesting pretraining forms the representation and instruction tuning later wires it to the output. We measure tool identity selection and JSON schema correctness in single-turn fixed-menu settings; multi-turn agentic transfer is more fragile and is discussed in Limitations.
Authors: Yiyang Shen, Yutian He, Weiran Wang, Qihang Lin
Abstract: We study a class of bilevel optimization problems in which both the upper- and lower-level problems have minimax structures. This setting captures a broad range of emerging applications. Despite the extensive literature on bilevel optimization and minimax optimization separately, existing methods mainly focus on bilevel optimization with lower-level minimization problems, often under strong convexity assumptions, and are not directly applicable to the minimax lower-level setting considered here. To address this gap, we develop penalty-based first-order methods for bilevel minimax optimization without requiring strong convexity of the lower-level problem. In the deterministic setting, we establish that the proposed method finds an $\epsilon$-KKT point with $\tilde{O}(\epsilon^{-4})$ oracle complexity. We further show that bilevel problems with convex constrained lower-level minimization can be reformulated as special cases of our framework via Lagrangian duality, leading to an $\tilde{O}(\epsilon^{-4})$ complexity bound that improves upon the existing $\tilde{O}(\epsilon^{-7})$ result. Finally, we extend our approach to the stochastic setting, where only stochastic gradient oracles are available, and prove that the proposed stochastic method finds a nearly $\epsilon$-KKT point with $\tilde{O}(\epsilon^{-9})$ oracle complexity.
Authors: Himanshu Udupi, Xiaocong Yang, ChengXiang Zhai
Abstract: Spiking Neural Networks (SNNs) have been proposed as biologically plausible and energy-efficient alternatives to conventional Artificial Neural Networks (ANNs). However, the training of SNN usually relies on surrogate gradients due to the non-differentiability of the spike function, introducing approximation errors that accumulate across layers. To address this challenge, we extend the work on convexification of parallel feedforward threshold networks to parallel recurrent threshold networks, which subsume parallel SNNs as a structured special case. Building on this theoretical framework, we propose a parameter reconstruction algorithm for SNN training that demonstrates consistent and significant advantages across various tasks, both as a standalone method and in combination with surrogate-gradient training. The ablations further demonstrate the data scalability and robustness to model configurations of our training algorithm, pointing toward its potential in large-scale SNN training.
Authors: Ying Shen, Tianrong Chen, Yuan Gao, Yizhe Zhang, Yuyang Wang, Miguel \'Angel Bautista, Shuangfei Zhai, Joshua M. Susskind, Jiatao Gu
Abstract: Deep generative models have advanced rapidly across text and vision, motivating unified multimodal systems that can understand, reason over, and generate interleaved text-image sequences. Most existing approaches combine autoregressive language modeling with diffusion-based image generators, inheriting a structural mismatch between causal text generation and iterative visual denoising. We observe that autoregressive normalizing flows are autoregressive Transformers--sharing the same causal mask, KV-cache mechanism, and left-to-right structure as LLMs--making them the most natural paradigm for true unified multimodal generation. We present STARFlow2, built on the Pretzel architecture that vertically interleaves a pretrained VLM stream with a TarFlow stream via residual skip connections, both operating under the same causal mask. Combined with a deep-shallow flow design and a unified FAE latent space, STARFlow2 enables cache-friendly interleaved generation where both text and visual outputs directly enter the KV-cache without re-encoding. Experiments demonstrate strong performance across image generation and multimodal understanding benchmarks, validating autoregressive flows as a viable foundation for unified multimodal modeling.
Authors: R\"uveyda Yilmaz, Yuli Wu, Johannes Stegmaier, Volkmar Schulz
Abstract: Positron Emission Tomography (PET) image reconstruction is inherently challenged by Poisson noise and physical degradation factors, which are further exacerbated in limited-angle acquisitions. While deep learning methods demonstrate promising performance, their generalization to unseen clinical data distributions remains limited without extensive retraining. We propose PET-Adapter, a test-time domain adaptation framework for generative PET reconstruction models pretrained solely on phantom data. Our method enables adaptation to clinical datasets with varying anatomies, tracers, and scanner configurations without requiring paired ground truth. PET-Adapter introduces layer-wise low-rank anatomical conditioning during adaptation and Ordered Subset Expectation Maximization-based warm-starting that initializes the generation from physics-informed reconstructions, reducing diffusion steps from 50 to 2 without compromising quality. Experiments across multiple clinical datasets demonstrate superior 3D reconstruction performance in both full-angle and limited-angle settings, highlighting the clinical feasibility and computational efficiency of the proposed approach.
Authors: Houssam Zenati, Arthur Gretton
Abstract: Distributional treatment effects can be invisible to means: a treatment may preserve average outcomes while changing tails, modes, dispersion, or rare-event probabilities. Kernel tests can detect discrepancies between interventional outcome laws, but global tests do not reveal where the laws differ. We propose DR-ME, to our knowledge the first semiparametrically efficient finite-location test for interpretable distributional treatment effects. DR-ME evaluates an interventional kernel witness at learned outcome locations, returning causal-discrepancy coordinates rather than only a global rejection. From observational data, we derive orthogonal doubly robust kernel features whose centered oracle form is the canonical gradient of this finite witness. For fixed locations, we characterize the local testing limit: DR-ME is chi-square calibrated under the null, has noncentral chi-square local power, and uses the covariance whitening that optimizes local signal-to-noise for discrepancies visible through the selected coordinates. This efficient local-power geometry yields a principled location-learning criterion, with sample splitting preserving post-selection validity. Experiments show near-nominal type-I error, competitive power against global doubly robust kernel tests, and interpretable learned locations that localize distributional effects in a semi-synthetic medical-imaging study.
Authors: William Bjorndahl, Maninder Pal Singh, Farhad Nouri, Joseph Camp
Abstract: Building a site-specific propagation model typically requires either ray-tracing over detailed 3D maps or dense measurement campaigns. Both approaches are expensive and often infeasible for rapid deployments where geographic data is unavailable or outdated. We present PropSplat, a map-free propagation modeling method that reconstructs radio frequency (RF) fields using 3D anisotropic Gaussian primitives. Each Gaussian encodes a scalar path loss offset relative to an explicit baseline path loss model with a learnable path loss exponent. Gaussians are initialized along observed transmitter--receiver paths and optimized end-to-end to learn the propagation environment without external information like floor plans, terrain databases, or clutter data. We evaluate PropSplat against wireless radiance field methods NeRF$^2$, GSRF, and WRF-GS+ on two real-world datasets. On large-scale outdoor drive-tests spanning multiple topographical regions at six sub-6 GHz frequencies, PropSplat achieves 5.38 dB RMSE when training measurements are spaced 300m apart and outperforms WRF-GS+ (5.87 dB), GSRF (7.46 dB), and NeRF$^2$ (14.76 dB). On indoor Bluetooth Low Energy measurements, PropSplat achieves 0.19m mean localization error, an order of magnitude better than NeRF$^2$ (1.84m), while achieving near-identical received signal strength prediction accuracy. These results show that accurate site-specific propagation reconstruction is achievable from sparse RF-native measurements. The need for geographic data as a prerequisite for scalable RF environment modeling is reduced.
Authors: Julie Kallini, Artidoro Pagnoni, Tomasz Limisiewicz, Gargi Ghosh, Luke Zettlemoyer, Christopher Potts, Xiaochuang Han, Srinivasan Iyer
Abstract: Recent byte-level language models (LMs) match the performance of token-level models without relying on subword vocabularies, yet their utility is limited by slow, byte-by-byte autoregressive generation. We address this bottleneck in the Byte Latent Transformer (BLT) through new training and generation techniques. First, we introduce BLT Diffusion (BLT-D), a new model and our fastest BLT variant, trained with an auxiliary block-wise diffusion objective alongside the standard next-byte prediction loss. This enables an inference procedure that generates multiple bytes in parallel per decoding step, substantially reducing the number of forward passes required to generate a sequence. Second, we propose two extensions inspired by speculative decoding that trade some of this speed for higher generation quality: BLT Self-speculation (BLT-S), in which BLT's local decoder continues generating past its normal patch boundaries to draft bytes, which are then verified with a single full-model forward pass; and BLT Diffusion+Verification (BLT-DV), which augments BLT-D with an autoregressive verification step after diffusion-based generation. All methods may achieve an estimated memory-bandwidth cost over 50% lower than BLT on generation tasks. Each approach offers its own unique advantages, together removing key barriers to the practical use of byte-level LMs.
Authors: Jane H. Lee, Anay Mehrotra, Manolis Zampetakis
Abstract: $L_1$-Approximating polynomials, i.e., polynomials that approximate indicator functions in $L_1$-norm under certain distributions, are widely used in computational learning theory. We study the existence of \textit{non-negative} $L_1$-approximating polynomials with respect to Gaussian distributions. This is a stronger requirement than $L_1$-approximation but weaker than sandwiching polynomials (which themselves have many applications). These non-negative approximating polynomials have recently found uses in smoothed learning from positive-only examples. In this short note, we prove that every class of sets with Gaussian surface area (GSA) at most $\Gamma$ under the standard Gaussian admits degree-$k$ non-negative polynomials that $\eps$-approximate its indicator functions in $L_1$-norm, for $k=\tilde{O}(\Gamma^2/\varepsilon^2)$. Equivalently, finite GSA implies $L_1$-approximation with the stronger pointwise guarantee that the approximating polynomial has range contained in $[0,\infty)$. Up to a constant-factor, this matches the degree of the best currently known Gaussian $L_1$-approximation degree bound without the non-negativity constraint.
Authors: Jiatao Gu, Tianrong Chen, Ying Shen, David Berthelot, Shuangfei Zhai, Josh Susskind
Abstract: Diffusion-based models decompose sampling into many small Gaussian denoising steps -- an assumption that breaks down when generation is compressed to a few coarse transitions. Existing few-step methods address this through distillation, consistency training, or adversarial objectives, but sacrifice the likelihood framework in the process. We introduce Normalizing Trajectory Models (NTM), which models each reverse step as an expressive conditional normalizing flow with exact likelihood training. Architecturally, NTM combines shallow invertible blocks within each step with a deep parallel predictor across the trajectory, forming an end-to-end network trainable from scratch or initializable from pretrained flow-matching models. Its exact trajectory likelihood further enables self-distillation: a lightweight denoiser trained on the model's own score produces high-quality samples in four steps. On text-to-image benchmarks, NTM matches or outperforms strong image generation baselines in just four sampling steps while uniquely retaining exact likelihood over the generative trajectory.
Authors: Bhavesh Kalisetti, Vincent Wang, Gaurav R. Ghosal, Maryam Bijanzadeh, Reza Abbasi-Asl
Abstract: Deep learning methods are powerful tools in classifying multivariate time series data. Despite their high performance, these methods are hard to interpret, which diminishes their applications in high-risk domains such as healthcare. In this paper, we propose a novel multi-stage prototype learning framework for multivariate time series classification. By design, our framework identifies predictive temporal patterns in individual variables as well as cross-variable patterns that are highly predictive of each class. We validate our model on one simulated and four real-world datasets and demonstrate comparable accuracy to state-of-the-art methods while providing substantially improved interpretability through explicit, hierarchical prototype-based explanations. These explanations reveal both single-variable temporal patterns as well as cross-variable interactions that are most predictive for each class, providing insights into underlying mechanisms of the predictive model.
Authors: Hongyuan Zhang, Yanchen Xu, Sida Huang, Xuelong Li
Abstract: Inspired by the idea of Positive-incentive Noise (Pi-Noise or $\pi$-Noise) that aims at learning the reliable noise beneficial to tasks, we scientifically investigate the connection between contrastive learning and $\pi$-noise in this paper. By converting the contrastive loss to an auxiliary Gaussian distribution to quantitatively measure the difficulty of the specific contrastive model under the information theory framework, we properly define the task entropy, the core concept of $\pi$-noise, of contrastive learning. It is further proved that the predefined data augmentation in the standard contrastive learning paradigm can be regarded as a kind of point estimation of $\pi$-noise. Inspired by the theoretical study, a framework that develops a $\pi$-noise generator to learn the beneficial noise (instead of estimation) as data augmentations for contrast is proposed. The designed framework can be applied to diverse types of data and is also completely compatible with the existing contrastive models. From the visualization, we surprisingly find that the proposed method successfully learns effective augmentations. Our code is available at https://github.com/hyzhang98/PiNDA.
Authors: Zhichao Wang, Bin Bi, Can Huang, Shiva Kumar Pentyala, Zixu James Zhu, Sitaram Asur, Na Claire Cheng, Cheng Wan, Dong Nie, Lingzi Hong
Abstract: RL alignment methods, including RLHF and DPO, are primarily based on pairwise preference data. Although scalar or score-based feedback has been collected in some settings, it is rarely used directly, and preference magnitude information is typically ignored. Furthermore, current alignment frameworks offer limited capability for unifying heterogeneous supervision signals, making it difficult to jointly leverage diverse data types within a single training paradigm. This limitation constrains the richness and scalability of the alignment process. To address this gap, we propose a \textbf{UN}ified \textbf{A}lignment (UNA) framework capable of training across different types of feedback, including binary, pairwise, and score-based, through a generalized implicit reward function. The reward function is theoretically proved to be the optimal policy by the log sum inequality. Extensive experiments on classical benchmarks consistently demonstrate the advantage of the proposed unified framework with typical LLM base models.
Authors: Surbhi Goel, Adam R. Klivans, Konstantinos Stavropoulos, Arsen Vasilyan
Abstract: We pose a fundamental question in computational learning theory: can we efficiently test whether a training set satisfies the assumptions of a given noise model? This question has remained unaddressed despite decades of research on learning in the presence of noise. In this work, we show that this task is tractable and present the first efficient algorithm to test various noise assumptions on the training data. To model this question, we extend the recently proposed testable learning framework of Rubinfeld and Vasilyan (2023) and require a learner to run an associated test that satisfies the following two conditions: (1) whenever the test accepts, the learner outputs a classifier along with a certificate of optimality, and (2) the test must pass for any dataset drawn according to a specified modeling assumption on both the marginal distribution and the noise model. We then consider the problem of learning halfspaces over Gaussian marginals with Massart noise (where each label can be flipped with probability less than $1/2$ depending on the input features), and give a fully-polynomial time testable learning algorithm. We also show a separation between the classical setting of learning in the presence of structured noise and testable learning. In fact, for the simple case of random classification noise (where each label is flipped with fixed probability $\eta = 1/2$), we show that testable learning requires super-polynomial time while classical learning is trivial.
Authors: Andrzej Cichocki
Abstract: This paper investigates in depth the fundamental properties of the two-parameter generalized Euler logarithm and its inverse, the associated deformed $(a,b)$-exponential function. We systematically clarify the parameter domains that guarantee monotonicity, concavity, and invertibility, derive series and integral representations, and provide explicit links to a broad class of one- and two-parameter deformations, including Tsallis, Kaniadakis, Schw\"ammle--Tsallis, Kaniadakis--Scarfone, and Tempesta-type logarithms and their inverse exponentials. In this way, the Euler $(a,b)$-logarithm is established as a unifying kernel for a wide family of generalized entropies and divergence measures. On the algorithmic side, we extend applications of the Euler logarithm to modern machine learning and optimization. We introduce generalized Exponentiated Gradient (GEG) and Mirror Descent (MD) schemes in which the Euler $(a,b)$-logarithm acts as a flexible link function in the underlying Bregman divergence. In addition, we propose an Euler-based Generalized Cross-Entropy (GCE) loss for deep neural networks, derive its exact backpropagation formulas, and detail its seamless integration with Fisher-Rao Natural Gradient (NG) descent. By isolating the Fisher Information Matrix (FIM) and developing a diagonal NG approximation, we demonstrate how the two deformation parameters successfully decouple tail robustness from local gradient shaping.
Authors: Mohammad Ali Vahedifar, Qi Zhang
Abstract: Most Continual Learning (CL) methods maintain performance on earlier tasks by storing exemplars in a replay buffer, introducing memory overhead that scales with the number of tasks and raising privacy concerns in regulated domains. We propose No Forgetting Learning (NFL), a buffer-free framework for class- and task-incremental learning that instead exploits the inherent redundancy of overparameterized networks. NFL decomposes the network into a shared backbone and task-specific heads, then applies a stepwise freezing protocol: new capabilities are first isolated, shared representations are adapted under knowledge distillation, and all components are jointly refined with dual soft-target anchoring. NFL+ augments this pipeline with an under-complete auto-encoder that preserves informative features from previous tasks and corrects the prediction bias caused by class imbalance. NFL+LoRA further extends the framework to pre-trained Vision Transformers by confining updates to a low-rank subspace with Fisher-weighted regularization, maintaining constant backbone memory cost regardless of the number of tasks. On CIFAR-100, Tiny-ImageNet, and ImageNet-1000 across up to 50 incremental tasks, NFL+ outperforms all buffer-free baselines and matches memory-based methods while requiring only 2.53\% of their model size. We also propose a Plasticity--Stability score for more balanced trade-off evaluation.
Authors: Vaneet Aggarwal, Shweta Jain, Subham Pokhriyal, Christopher John Quinn
Abstract: We study bi-criteria combinatorial optimization under noisy function evaluations. While resilience and black-box offline-to-online reductions have been studied in single-objective settings, extending these ideas to bi-criteria problems introduces new challenges due to the coupled degradation of approximation guarantees for objectives and constraints. We introduce a notion of $(\alpha,\beta,\delta,\texttt{N})$-resilience for bi-criteria approximation algorithms, capturing how joint approximation guarantees degrade under bounded (possibly worst-case) oracle noise, and develop a general black-box framework that converts any resilient offline algorithm into an online algorithm for bi-criteria combinatorial multi-armed bandits with bandit feedback. The resulting online guarantees achieve sublinear regret and cumulative constraint violation of order $\tilde{O}(\delta^{2/3}\texttt{N}^{1/3}T^{2/3})$ without requiring structural assumptions such as linearity, submodularity, or semi-bandit feedback on the noisy functions. We demonstrate the applicability of the framework by establishing resilience for several classical greedy algorithms in submodular optimization.
Authors: Adam Izdebski, Jan Olszewski, Pankhil Gawade, Krzysztof Koras, Serra Korkmaz, Valentin Rauscher, Jakub M. Tomczak, Ewa Szczurek
Abstract: Modeling the joint distribution of data samples and their properties allows to construct a single model for both data generation and property prediction, with synergistic benefits reaching beyond purely generative or predictive models. However, training joint models presents daunting architectural and optimization challenges. Here, we propose Hyformer, a transformer-based joint model that successfully blends the generative and predictive functionalities, using an alternating attention mechanism and a joint pre-training scheme. We show that Hyformer is simultaneously optimized for molecule generation and property prediction, while exhibiting synergistic benefits in conditional sampling, out-of-distribution property prediction and representation learning. Finally, we demonstrate the benefits of joint learning in a drug design use case of discovering novel antimicrobial~peptides.
Authors: Alonso Urbano, David W. Romero, Max Zimmer, Sebastian Pokutta
Abstract: Real world data often exhibits unknown, instance-specific symmetries that rarely exactly match a transformation group $G$ fixed a priori. Class-pose decompositions aim to create disentangled representations by factoring inputs into invariant features and a pose $g\in G$ defined relative to a training-dependent, arbitrary canonical representation. We introduce RECON, a class-pose agnostic canonical orientation normalization that corrects arbitrary canonicals via a simple right translation, yielding natural, data-aligned canonicalizations. This enables (i) unsupervised discovery of instance-specific pose distributions, (ii) detection of out-of-distribution poses and (iii) a plug-and-play test-time canonicalization layer. This layer can be attached on top of any pre-trained model to infuse group invariance, improving its performance without retraining. We validate on images and molecular ensembles, demonstrating accurate symmetry discovery, and matching or outperforming other canonicalizations in downstream classification.
Authors: Cecilia Casolo, S\"oren Becker, Niki Kilbertus
Abstract: Dynamical systems modeling is a core pillar of scientific inquiry across natural and life sciences. Increasingly, dynamical system models are learned from data, rendering identifiability a paramount concept. For systems that are not identifiable from data, no guarantees can be given about their behavior under new conditions and inputs, or about possible control mechanisms to steer the system. It is known in the community that "linear ordinary differential equations (ODE) are almost surely identifiable from a single trajectory." However, this only holds for dense matrices. The sparse regime remains underexplored, despite its practical relevance with sparsity arising naturally in many biological, social, and physical systems. In this work, we address this gap by characterizing the identifiability of sparse linear ODEs. Contrary to the dense case, we show that sparse systems are unidentifiable with a positive probability in practically relevant sparsity regimes and provide lower bounds for this probability. We further study empirically how this theoretical unidentifiability manifests in state-of-the-art methods to estimate linear ODEs from data. Our results corroborate that sparse systems are also practically unidentifiable. Theoretical limitations are not resolved through inductive biases or optimization dynamics. Our findings call for rethinking what can be expected from data-driven dynamical system modeling and allows for quantitative assessments of how much to trust a learned linear ODE.
Authors: Wei Li, Zhe Xie, Yuxuan Liang, Xinli Hao, Yunyao Cheng, Dan Pei, Xiaofeng Meng
Abstract: Recently, Large Language Models (LLMs) have introduced a novel paradigm in Time Series Analysis (TSA), leveraging strong language capabilities to support tasks such as forecasting and anomaly detection. However, these analysis tasks cannot adequately cover temporal language tasks, such as interpretation and captioning. A fundamental gap remains between TSA and LLMs: LLMs are pre-trained to optimize natural language relevance for question answering rather than objectives specialized for TSA. To bridge this gap, TSA is evolving toward Time Series Question Answering (TSQA), shifting from expert-driven and task-specific analysis to user-driven and task-unified question answering. TSQA depends on flexible exploration rather than predefined TSA pipelines. In this survey, we first propose a taxonomy that reflects the evolution from TSA to TSQA, driven by a shift from external to internal alignment. We then organize existing literature into three alignment paradigms: Injective Alignment, Bridging Alignment, and Internal Alignment, and provide practical guidance for flexible, economical, and generalizable selection of alignment paradigms. We finally analyze datasets across domains and characteristics, identify challenges, and highlight future research directions.
Authors: Xingyue Huang, Mikhail Galkin, Michael M. Bronstein, \.Ismail \.Ilkan Ceylan
Abstract: Inductive link prediction with knowledge hypergraphs is the task of predicting missing hyperedges involving completely novel entities (i.e., nodes unseen during training). Existing methods for inductive link prediction with knowledge hypergraphs assume a fixed relational vocabulary and, as a result, cannot generalize to knowledge hypergraphs with novel relation types (i.e., relations unseen during training). Inspired by knowledge graph foundation models, we propose HYPER as a foundation model for link prediction, which can generalize to any knowledge hypergraph, including novel entities and novel relations. Importantly, HYPER can learn and transfer across different relation types of varying arities, by encoding the entities of each hyperedge along with their respective positions in the hyperedge. To evaluate HYPER, we construct 16 new inductive datasets from existing knowledge hypergraphs, covering a diverse range of relation types of varying arities. Empirically, HYPER consistently outperforms all existing methods in both node-only and node-and-relation inductive settings, showing strong generalization to unseen, higher-arity relational structures.
Authors: Flavio Martinelli, Alexander Van Meegen, Berfin \c{S}im\c{s}ek, Wulfram Gerstner, Johanni Brea
Abstract: The loss landscapes of neural networks contain minima and saddle points that may be connected in flat regions or appear in isolation. We identify and characterize a special structure in the loss landscape: channels along which the loss decreases extremely slowly, while the output weights of at least two neurons, $a_i$ and $a_j$, diverge to $\pm$infinity, and their input weight vectors, $\mathbf{w_i}$ and $\mathbf{w_j}$, become equal to each other. At convergence, the two neurons implement a gated linear unit: $a_i\sigma(\mathbf{w_i} \cdot \mathbf{x}) + a_j\sigma(\mathbf{w_j} \cdot \mathbf{x}) \rightarrow \sigma(\mathbf{w} \cdot \mathbf{x}) + (\mathbf{v} \cdot \mathbf{x}) \sigma'(\mathbf{w} \cdot \mathbf{x})$. Geometrically, these channels to infinity are asymptotically parallel to symmetry-induced lines of critical points. Gradient flow solvers, and related optimization methods like SGD or ADAM, reach the channels with high probability in diverse regression settings, but without careful inspection they look like flat local minima with finite parameter values. Our characterization provides a comprehensive picture of these quasi-flat regions in terms of gradient dynamics, geometry, and functional interpretation. The emergence of gated linear units at the end of the channels highlights a surprising aspect of the computational capabilities of fully connected layers.
Authors: Yuta Sato, Kazuhiko Kawamoto, Hiroshi Kera
Abstract: Sequential computation via autoregressive generation can make difficult tasks learnable, but the generation order of intermediate states strongly affects whether training succeeds. We address the problem of discovering a learning-friendly target order automatically, rather than relying on task-specific design. Our key observation is that learning-friendly orders cause a faster loss drop in the early stage of training. We exploit this by \emph{loss profiling}, which ranks candidate orders by the early-stage loss of a single short run. To handle the factorial candidate space, we wrap loss profiling in a hierarchical global -- local search over block- and within-block-level orderings. On six order-sensitive tasks, the method discovers effective orders up to $L=13$ from random initialization and up to $L=40$ from structured initialization, lifting success rates from about 10\% to near 100\%. On integer multiplication, it rediscovers the reverse-digit order that was reported to be efficient in prior studies. On delay dynamical systems, as a case study of multi-variate recurrences, learnability varies sharply even among valid topological sorts of the dependency graph: loss profiling identifies a learning-friendly one, and the global search even discovers orders surpassing hand-designed candidates.
Authors: Guangchen Lan, Sipeng Zhang, Tianle Wang, Yuwei Zhang, Daoan Zhang, Xinpeng Wei, Xiaoman Pan, Hongming Zhang, Dong-Jun Han, Christopher G. Brinton
Abstract: As the era of large language models (LLMs) unfolds, Preference Optimization (PO) methods have become a central approach to aligning LLMs with human preferences and improving performance. We propose Maximum a Posteriori Preference Optimization (MaPPO), a methodology for learning from preferences that explicitly incorporates prior reward knowledge into the optimization objective. Building on the paradigm employed by Direct Preference Optimization (DPO) and its variants of treating preference learning as a Maximum Likelihood Estimation (MLE) problem, MaPPO integrates prior reward estimates into a principled Maximum a Posteriori (MaP) objective. This not only generalizes DPO and its variants, but also enhances alignment by mitigating the oversimplified binary classification of responses. Additionally, MaPPO introduces no additional hyperparameters, and supports preference optimization in both offline and online settings. In addition, MaPPO can be used as a plugin for DPO variants, including widely used SimPO, IPO and CPO, and produce consistent improvements. Extensive empirical evaluations of different model sizes and model series on three standard benchmarks (MT-Bench, AlpacaEval 2.0, and Arena-Hard) demonstrate consistent improvements in alignment performance without sacrificing computational efficiency.
Authors: Jiaqi Lin, Malyaban Bal, Abhronil Sengupta
Abstract: Equilibrium Propagation (EP) is a biologically inspired local learning rule first proposed for convergent recurrent neural networks (CRNNs), in which synaptic updates depend only on neuron states from two distinct phases. EP estimates gradients that closely align with those computed by Backpropagation Through Time (BPTT) while significantly reducing computational demands, positioning it as a potential candidate for on-chip training in neuromorphic architectures. However, prior studies on EP have been constrained to shallow architectures, as deeper networks suffer from the vanishing gradient problem, leading to convergence difficulties in both energy minimization and gradient computation. To alleviate the vanishing gradient problem in deep EP networks, we propose a novel EP framework that incorporates layer-wise learning signals to provide auxiliary supervision, which enhances the convergence of neuron dynamics. This is the first work to integrate knowledge distillation and local error signals into EP, enabling the training of significantly deeper architectures. Our proposed approach achieves state-of-the-art performance on the CIFAR-10 and CIFAR-100 datasets, showcasing its scalability on deep VGG architectures. These results represent a significant advancement in the scalability of EP, suggesting that intermediate learning signals can extend the practical applicability of EP to deeper architectures.
Authors: Kota Fukuzawa, Atsushi Suzuki, Kenji Yamanishi
Abstract: In recent years, with the large-scale expansion of graph data, there has been an increased focus on Riemannian manifold data spaces other than Euclidean space. In particular, the development of hyperbolic spaces has been remarkable, and they have high expressive power for graph data with hierarchical structures. Normalized Maximum Likelihood (NML) is employed in regret minimization and model selection. However, existing formulations of NML have been developed primarily in Euclidean spaces and are inherently dependent on the choice of coordinate systems, making it non-trivial to extend NML to Riemannian manifolds. In this study, we define a new NML that reflects the geometric structure of Riemannian manifolds, called the Riemannian manifold NML (Rm-NML). This Rm-NML is invariant under coordinate transformations and coincides with the conventional NML under the natural parameterization in Euclidean space. We extend existing computational techniques for NML to the setting of Riemannian manifolds. Furthermore, we derive a method to simplify the computation of Rm-NML on Riemannian symmetric spaces, which encompass data spaces of growing interest such as hyperbolic spaces. To illustrate the practical application of our proposed method, we explicitly computed the Rm-NML for normal distributions on hyperbolic spaces.
Authors: Mikael Henaff, Scott Fujimoto, Michael Matthews, Michael Rabbat
Abstract: Hierarchical reinforcement learning (RL) has the potential to enable effective decision-making over long timescales. Existing approaches, while promising, have yet to realize the benefits of large-scale training. In this work, we identify and solve several key challenges in scaling online hierarchical RL to high-throughput environments. We propose Scalable Option Learning (SOL), a highly scalable hierarchical RL algorithm which achieves a ~35x higher throughput compared to existing hierarchical methods. To demonstrate SOL's performance and scalability, we train hierarchical agents using 30 billion frames of experience on the complex game of NetHack, significantly surpassing flat agents and demonstrating positive scaling trends. We also validate SOL on MiniHack and Mujoco environments, showcasing its general applicability. Our code is open sourced at: github.com/facebookresearch/sol.
Authors: Towhidul Islam, Md Sumon Ali
Abstract: Obesity is a critical global health issue driven by dietary, physiological, and environmental factors, and is strongly associated with chronic diseases such as diabetes, cardiovascular disorders, and cancer. Machine learning has emerged as a promising approach for early obesity risk prediction, yet a comparative evaluation of ensemble techniques -- particularly hybrid majority voting and ensemble stacking -- remains limited. This study aims to compare hybrid majority voting and ensemble stacking methods for obesity risk prediction, identifying which approach delivers higher accuracy and efficiency. The analysis seeks to highlight the complementary strengths of these ensemble techniques in guiding better predictive model selection for healthcare applications. Two datasets were utilized to evaluate three ensemble models: Majority Hard Voting, Weighted Hard Voting, and Stacking (with a Multi-Layer Perceptron as meta-classifier). A pool of nine Machine Learning (ML) algorithms, evaluated across a total of 50 hyperparameter configurations, was analyzed to identify the top three models to serve as base learners for the ensemble methods. Preprocessing steps involved dataset balancing, and outlier detection, and model performance was evaluated using Accuracy and F1-Score. On Dataset-1, weighted hard voting and stacking achieved nearly identical performance (Accuracy: 0.920304, F1: 0.920070), outperforming majority hard voting. On Dataset-2, stacking demonstrated superior results (Accuracy: 0.989837, F1: 0.989825) compared to majority hard voting (Accuracy: 0.981707, F1: 0.981675) and weighted hard voting, which showed the lowest performance. The findings confirm that ensemble stacking provides stronger predictive capability, particularly for complex data distributions, while hybrid majority voting remains a robust alternative.
Authors: Bahareh Tolooshams, Ailsa Shen, Anima Anandkumar
Abstract: We introduce sparse autoencoder neural operators (SAE-NOs), a new class of sparse autoencoders that operate in function spaces rather than fixed-dimensional Euclidean representations. We formalize the functional representation hypothesis, where data are explained through sparse compositions of structured functions. Unlike standard SAEs that represent concepts with scalar activations, SAE-NOs parameterize concepts as functions, enabling representations that capture not only a concept's presence, but also how and where it is expressed across the input domain. We achieve this through joint sparsity: concept sparsity selects active concepts, while domain sparsity governs where they are expressed. We instantiate this framework using Fourier neural operators (SAE-FNOs), parameterizing concepts as integral operators in the Fourier domain. This functional and spectral parameterization is particularly advantageous when data exhibit spatial structure across scales or when concepts are frequency-structured. We characterize SAE-FNO on vision data and demonstrate that it learns localized patterns, uses concepts more efficiently, and exhibits stable concept characteristics across sparsity levels. We further show that SAE-FNO adapts to changes in domain size and generalizes across discretizations, operating at resolutions beyond those seen during training, where standard SAEs fail. We also introduce lifting into SAEs and show theoretically and empirically that it acts as a preconditioner that accelerates optimization. Overall, our results show that moving from vector-valued to functional parameterizations, with concept and domain sparsity, extends SAEs from representing concept presence to modeling structured concept expression, highlighting the importance of parameterization.
Authors: Yuqi Pan, Yupeng Feng, Jinghao Zhuang, Siyu Ding, Han Xu, Zehao Liu, Bohan Sun, Yuhong Chou, Xuerui Qiu, Anlin Deng, Anjie Hu, Shurong Wang, Peng Zhou, Man Yao, Jibin Wu, Jian Yang, Guoliang Sun, Bo Xu, Guoqi Li
Abstract: Mainstream Transformer-based large language models face major efficiency bottlenecks: training computation scales quadratically with sequence length, and inference memory grows linearly, limiting long-context processing. Building large models on non-NVIDIA platforms also poses challenges for stable and efficient training. To address this, we introduce SpikingBrain, a family of brain-inspired models designed for efficient long-context training and inference. SpikingBrain leverages the MetaX GPU cluster and focuses on three aspects: (1) Model Architecture: linear and hybrid-linear attention architectures with adaptive spiking neurons; (2) Algorithmic Optimizations: an efficient, conversion-based training pipeline and a dedicated spike coding framework; (3) System Engineering: customized training frameworks, operator libraries, and parallelism strategies tailored to MetaX hardware. Using these techniques, we develop two models: SpikingBrain-7B, a linear LLM, and SpikingBrain-76B, a hybrid-linear MoE LLM. These models demonstrate the feasibility of large-scale LLM development on non-NVIDIA platforms, and training remains stable for weeks on hundreds of MetaX GPUs with Model FLOPs Utilization at expected levels. SpikingBrain achieves performance comparable to open-source Transformer baselines while using only about 150B tokens for continual pre-training. Our models also significantly improve long-context efficiency and deliver inference with (partially) constant memory and event-driven spiking behavior. For example, SpikingBrain-7B attains over 100x speedup in Time to First Token for 4M-token sequences. Furthermore, the proposed spiking scheme achieves 69.15 percent sparsity, enabling low-power operation. Overall, this work demonstrates the potential of brain-inspired mechanisms to drive the next generation of efficient and scalable large model design.
Authors: Lucas Fenaux, Zheng Wang, Jacob Yan, Nathan Chung, Florian Kerschbaum
Abstract: Federated Learning (FL) enables distributed model training but is vulnerable to backdoor attacks, where malicious clients embed attacker-controlled behaviors into the global model. Existing defenses fail against adaptive adversaries. In this paper, we present "Hammer and Anvil", a principled theoretical framework that categorizes backdoors by the deviation, $\delta$, of their updates to the mean of the updates. We identify two fundamental defense types: "Type 1 (The Anvil)", comprising outlier detection and robust aggregation effective against large-deviation attacks, and "Type 2 (The Hammer)", consisting of removal-based defenses effective against small-deviation attacks. We demonstrate that defenses of a single type and non-principled combined defenses inherently leave an exploitable gap for adaptive attackers. To bridge this gap, we propose the principled combination of Type 1 and Type 2 defenses. We evaluate our framework against a new, worst-case, full-information adaptive adversary that knows the benign updates, the aggregation algorithm, and its parameters, and yet this adversary fails against our combined defenses. Our empirical evaluation across various datasets and settings shows that single-typed and non-principled combined defenses are easily broken, often by a single malicious client. In contrast, our best combined defense variants, $HA_{Flame}^{CSFT}$, $HA_{Krum}^{CSFT}$, and $HA_{Multi-Metrics}^{CSFT}$, remain undefeated even in the most adversarial settings. Our results provide a principled approach for research on backdoors in federated learning.
Authors: Dikshant Sagar, Kaiwen Yu, Alejandro Yankelevich, Jianming Bian, Pierre Baldi
Abstract: Recent advances in Large Language Models (LLMs) have demonstrated their remarkable capacity to process and reason over structured and unstructured data modalities beyond natural language. In this work, we explore the applications of Vision Language Models (VLMs), specifically a fine-tuned variant of LLaMA 3.2 to the task of identifying neutrino interactions in pixelated detector data from high-energy physics (HEP) experiments. We benchmark this model against a state-of-the-art convolutional neural network (CNN) architecture, similar to those used in major neutrino experiments, which have achieved high efficiency and purity in classifying electron and muon neutrino events, and also a Vision Transformer (ViT-h/14), which is the same architecture inside the VLM's vision encoder. Our evaluation considers both classification performance and interpretability of the model predictions, comparing a VLM with a vision-only transformer (ViT) and a convolutional neural network (CNN) baseline. We find that transformer-based architectures outperform conventional CNNs in classification accuracy and robustness, with the VLM providing additional flexibility through the integration of auxiliary textual or semantic information and enabling more interpretable, reasoning-based predictions. These results highlight the potential of large transformer models, particularly vision-language models, as general-purpose backbones for physics event classification, combining strong performance, robustness, and interpretability, and opening new avenues for multimodal reasoning in experimental neutrino physics.
Authors: Lars van der Laan, Nathan Kallus, Aurelien Bibaut
Abstract: Inverse reinforcement learning (IRL) aims to infer rewards from observed behavior, but rewards are not identified from the policy alone: many reward--value pairs can rationalize the same actions. Meaningful reward recovery therefore requires a normalization, yet existing normalized IRL methods often rely on anchor-action restrictions or specialized neural architectures. We study reward recovery in the maximum-entropy, or Gumbel-shock, model under a broad class of statewise affine normalizations, with anchor-action constraints as a special case. This yields Generalized Policy-to-$Q$-to-Reward (GenPQR), a modular procedure that estimates the behavior policy, evaluates its soft $Q$-function through the Bellman equation, and recovers the normalized reward. Both stages can be implemented with off-the-shelf classification and regression methods. We prove modular finite-sample guarantees under general function approximation, with separate policy-estimation and $Q$-estimation errors. As a concrete instantiation, we study GenPQR with fitted $Q$-evaluation, reducing IRL to policy estimation followed by regression. Experiments show that GenPQR matches or improves reward recovery relative to DeepPQR while remaining simpler and more modular. Compared with DeepPQR, our theory goes beyond anchor actions, accommodates large and continuous action spaces, makes coverage requirements explicit, and is not tied to a specific neural-network architecture or training procedure.
Authors: Feng Yu, Jia Hu, Geyong Min
Abstract: Parameter-efficient fine-tuning (PEFT) of large language models trains a small task-specific parameter set while keeping the pretrained model frozen. The dominant Low-Rank Adaptation (LoRA) family makes this trade-off practical; however, evaluations under the same parameter budget assess single-task accuracy. In sequential adaptation settings, such evaluations should also measure how well performance on the first-stage task is retained after subsequent fine-tuning. To address this gap, we introduce BoHA, a blockwise $W_0$-coupled Hadamard product adapter that treats spatial support as an explicit design axis. BoHA partitions the frozen weight $W_0$ into a $b{\times}b$ grid and learns an independent low-rank Hadamard product factor in each block, preserving a matched LoRA-equivalent total rank with adapter-free merged inference. On a synthetic target, BoHA at per-block rank $r_b{=}1$ exactly reconstructs an update that requires rank $b^2$ under the global $W_0$-coupled Hadamard parameterization. Across Llama-3.2-1B/3B, Mistral-7B, and Gemma-2-9B on commonsense and arithmetic reasoning tasks, BoHA outperforms LoRA across all matched-budget single-task averages and remains competitive with the strongest Hadamard baseline. On a Llama-3.2-3B commonsense $\to$ arithmetic continual-learning diagnostic, BoHA retains $57.66\%$ first-stage accuracy and exceeds the $W_0$-free additive-control mean by $15.23\%$ under matched second-stage plasticity. These results demonstrate that blockwise $W_0$-coupled Hadamard adaptation is a competitive PEFT design choice when retention under sequential adaptation is part of the objective.
Authors: Rina Panigrahy, Vatsal Sharan
Abstract: We identify a fundamental incompatibility between the goals of accuracy, trust, and human-level reasoning in artificial intelligence (AI) systems, for strict mathematical definitions of these notions. We define accuracy of a system as the property that it never makes any false claims when it has the ability to abstain from making a prediction on any input, and trust as the assumption that the system is accurate. We define human-level reasoning as the property of an AI system always matching or exceeding human capability. Our core finding is that -- for our formal definitions of these notions -- an accurate and trusted AI system cannot be a human-level reasoning system: for such an accurate, trusted system there are task instances which are easily and provably solvable by a human but not by the system. Our proofs draw parallels to G\"odel's incompleteness theorems and Turing's proof of the undecidability of the halting problem, and can be regarded as interpretations of G\"odel's and Turing's results. Key to our proof is the formalization of the notion of trust, which allows us to separate the intrinsic property of a system (being accurate) from its epistemic status (being trusted).
Authors: Zhijian Xu, Wanxu Cai, Xilin Dai, Zhaorong Deng, Qiang Xu
Abstract: The evaluation of time series forecasting models is hindered by a lack of high-quality benchmarks, leading to overestimated assessments of progress. Existing datasets suffer from issues ranging from small-scale, low-frequency, pre-training data contamination in unimodal designs to the temporal and description leakage prevalent in early multimodal designs. To address this, we formalize the core principles of high-fidelity benchmarking, focusing on data sourcing integrity, leak-free design, and structural clarity. We introduce Fidel-TS, a new large-scale benchmark built from these principles. Our experiments reveal the limitations of prior benchmarks and the potential discrepancies in model evaluation, providing new insights into multiple existing unimodal and multimodal forecasting models and LLMs across various evaluation tasks.
Authors: Seohyun Lee, Wenzhi Fang, Dong-Jun Han, Seyyedali Hosseinalipour, Christopher G. Brinton
Abstract: In federated learning (FL), local personalization of models has received significant attention, yet personalized fine-tuning of foundation models remains underexplored. In particular, there is a lack of understanding in the literature on how to personalize foundation models in settings where there exist heterogeneity not only in data, but also in tasks and modalities across the clients. To address this gap, we propose Two-Stage Adaptive Personalization (TAP). In the first stage, TAP leverages mismatched model architectures between clients and the server to selectively replace personalized parameters with global updates, explicitly limiting cross-task and cross-modality interference. In the second stage, TAP conducts post-FL distillation on the global model to recover a beneficial shared structure. By reintroducing generalizable knowledge only after the global model has stabilized, TAP enhances generalization without compromising personalization. In developing our methodology, we introduce the first convergence analysis of federated foundation model training at the server under modality-task pair heterogeneity across clients, and demonstrate the impact of the number of modality-task pairs on model fine-tuning. Through extensive experiments, we demonstrate the effectiveness of TAP across a variety of datasets and tasks in comparison to state-of-the-art baselines. The implementation code is publicly available at https://github.com/lee3296/TAP.
Authors: Parsa Moradi, Tayyebeh Jahaninezhad, Hanzaleh Akbarinodehi, Mohammad Ali Maddah-Ali
Abstract: Smoothness is a key inductive bias in machine learning and is closely related to generalization. Existing smoothness-inducing methods typically rely either on explicit gradient regularization, which often incurs substantial computational and memory overhead, or on data-mixing strategies, which are less naturally applicable to unsupervised and self-supervised settings. In this work, we propose $\textit{Dual Reconstruction Smoothing}$ (DReS), a nonparametric regularization framework that induces smoothness through a spline-based auxiliary branch with shared model parameters. The method introduces no additional trainable parameters and can be applied to arbitrary submodules, making it suitable for unsupervised, self-supervised, and supervised regimes. We show theoretically that the discrepancy between the target function and its DReS approximation is controlled by higher-order smoothness quantities of the function, establishing the method as an implicit higher-order smoothness regularizer. Empirically, DReS improves representation learning across several self-supervised methods, improves generation quality in generative modeling, and achieves strong performance relative to competitive baselines in supervised learning.
Authors: George Andriopoulos, Zixuan Dong, Bimarsha Adhikari, Keith Ross
Abstract: Neural multivariate regression underpins a wide range of domains, including control, robotics, and finance, yet the geometry of its learned representations remains poorly characterized. While neural collapse has been shown to benefit generalization in classification, we find that analogous collapse in regression consistently degrades performance. To explain this contrast, we analyze regression models through the lens of intrinsic dimension. Across control tasks and synthetic datasets, we estimate the intrinsic dimension of last-layer features (ID_H) and compare it with that of the regression targets (ID_Y). Collapsed models exhibit ID_H < ID_Y, leading to over-compression and poor generalization, whereas non-collapsed models typically maintain ID_H > ID_Y. For the non-collapsed models, performance with respect to ID_H depends on the data quantity and noise levels. From these observations, we identify two regimes (over-compressed and under-compressed) that determine when expanding or reducing feature dimensionality improves performance. Our results provide new geometric insights into neural regression collapse and suggest practical strategies for enhancing generalization.
Authors: Akshat Ramachandran, Marina Neseem, Charbel Sakr, Rangharajan Venkatesan, Brucek Khailany, Tushar Krishna
Abstract: The long-output context generation of large reasoning models enables extended chain of thought (CoT) but also drives rapid growth of the key-value (KV) cache, quickly overwhelming GPU memory. To address this challenge, we propose ThinKV, a thought-adaptive KV cache compression framework. ThinKV is based on the observation that attention sparsity reveals distinct thought types with varying importance within the CoT. It applies a hybrid quantization-eviction strategy, assigning token precision by thought importance and progressively evicting tokens from less critical thoughts as reasoning trajectories evolve. Furthermore, to implement ThinKV, we design a kernel that extends PagedAttention to enable efficient reuse of evicted tokens' memory slots, eliminating compaction overheads. Extensive experiments on DeepSeek-R1-Distill, GPT-OSS, and NVIDIA AceReason across mathematics and coding benchmarks show that ThinKV achieves near-lossless accuracy with less than 5% of the original KV cache, while improving performance with up to 5.8x higher inference throughput over state-of-the-art baselines.
Authors: Jinwoo Kim, Xingyue Huang, Krzysztof Olejniczak, Kyungbin Min, Michael Bronstein, Seunghoon Hong, \.Ismail \.Ilkan Ceylan
Abstract: We study the problem of zero-shot link prediction on knowledge graphs (KGs), which requires models to generalize to novel entities and novel relations. Knowledge graph foundation models (KGFMs) address this task by enforcing equivariance over both nodes and relations, which enables them to learn structural properties of nodes and relations that transfer to novel KGs with similar structure. However, the conventional notion of deterministic equivariance inherently limits the expressive power of KGFMs, as it prevents them from distinguishing relations that are structurally similar but semantically distinct. To overcome this limitation, we propose to leverage probabilistic node-relation equivariance, which preserves equivariance in distribution while using structured randomness to break symmetries at inference time. Building on this principle, we present Flock, a KGFM that iteratively samples random walks, encodes them into sequences, embeds them with a sequence model, and aggregates node and relation representations through learned pooling. Flock respects probabilistic node-relation equivariance and, crucially, is a universal approximator for isomorphism-invariant link-level functions over KGs. Empirically, Flock perfectly solves our new diagnostic dataset Petals on which current KGFMs fail, and achieves state-of-the-art performance on entity and relation prediction tasks across 54 KGs from diverse domains. Code is available at https://github.com/jw9730/flock.
Authors: Ali Yavari, Alireza Mohamadi, Elham Beydaghi, Philipp Seeb\"ock, Rainer A. Leitgeb
Abstract: State-of-the-art attribution methods rely on adversarial sample generation that applies an all-pass filter across the frequency spectrum, discarding fine-grained high-frequency information that is demonstrably important for accurate feature attribution in deep neural networks. By generating adversarial samples that selectively perturb high- and low-frequency components, we can probe which spectral features a model relies on most -- directly translating frequency-domain exploration into attribution signals. Building on this insight, we propose FAMPE (Frequency-Aware Model Parameter Explorer), a novel attribution method that introduces an FFT-based \alpha-weighted perturbation scheme -- separately modulating high- and low-frequency components via an energy-driven spectral cutoff -- and, crucially, integrates this frequency-aware exploration directly into model parameter exploration for attribution, a connection that has not been established in prior work. Unlike prior frequency-aware adversarial approaches that target transferability or imperceptibility, FAMPE's specific formulation is designed and validated exclusively for explainability, translating spectral structure into fine-grained attribution maps without requiring any manual baseline selection. Evaluated on ImageNet across four architectures spanning CNNs and Vision Transformers, at fixed \alpha = 0.1 FAMPE outperforms AttEXplore by 4.25% on Inception-v3 and 12.04% on MaxViT-T, with per-sample oracle selection further revealing that low-frequency-dominated images systematically benefit from high-frequency perturbations -- underscoring the potential of adaptive spectral exploration. Our ablation studies confirm that high-frequency perturbations are disproportionately responsible for attribution precision, while excessive low-frequency noise degrades global structural coherence.
Authors: Alexandre Galashov, Natha\"el Da Costa, Liyuan Xu, Philipp Hennig, Arthur Gretton
Abstract: Neural networks are typically optimized with variants of stochastic gradient descent. Under a squared loss, however, the optimal solution to the linear last layer weights is known in closed-form. We propose to leverage this during optimization, treating the last layer as a function of the backbone parameters, and optimizing solely for these parameters. We show this is equivalent to alternating between gradient descent steps on the backbone and closed-form updates on the last layer. We adapt the method for the setting of stochastic gradient descent, by trading off the loss on the current batch against the accumulated information from previous batches. We provide theoretical analyses showing convergence of the method to an optimal solution in the neural tangent kernel regime, as well as quantifying the gains compared to standard SGD in a one-step analysis. Finally, we demonstrate the effectiveness of our approach compared with SGD and Adam on a squared loss in several regression tasks, including neural operators and causal inference.
Authors: Tingyang Wei, Jiao Liu, Abhishek Gupta, Chin Chun Ooi, Puay Siew Tan, Yew-Soon Ong
Abstract: Many real-world applications require solving families of expensive multi-objective optimization problems~(EMOPs) under varying operational conditions. This can be formulated as parametric expensive multi-objective optimization problems (P-EMOPs) where each task parameter defines a distinct optimization instance. Current multi-objective Bayesian optimization methods have been widely used for finding finite sets of Pareto optimal solutions for each task. However, P-EMOPs present a fundamental challenge: the continuous task parameter space can contain infinite distinct problems, each requiring separate expensive evaluations. To address this, we propose learning an inverse model to amortize the multi-objective optimization cost across the continuous task-preference space, enabling direct solution prediction for any query without the need for expensive re-evaluation. This paper introduces a novel parametric multi-objective Bayesian optimizer that learns this inverse model by alternating between (1) generative solution sampling via conditional generative models and (2) acquisition-driven search leveraging inter-task synergies. This approach enables effective optimization across multiple tasks and finally achieves direct solution prediction for unseen parameterized EMOPs without re-evaluations. We theoretically justify the faster convergence by leveraging inter-task synergies through task-aware Gaussian processes. Based on that, empirical studies in synthetic and real-world benchmarks further verify the effectiveness of the proposed parametric optimizer.
Authors: Yuxiang Wan, Ryan Devera, Wenjie Zhang, Ju Sun
Abstract: Foundation flow-matching (FM) models promise a universal prior for solving inverse problems (IPs), yet today they trail behind domain-specific or even untrained priors. How can we unlock their potential? We introduce FMPlug, a plug-in framework that redefines how foundation FMs are used in IPs. FMPlug combines an instance-guided, time-dependent warm-start strategy with a sharp Gaussianity regularization, adding problem-specific guidance while preserving the Gaussian structures. This leads to a significant performance boost across image restoration and scientific IPs. Our results point to a path for making foundation FM models practical, reusable priors for IP solving.
Authors: Jinying Xiao, Bin Ji, Shasha Li, Xiaodong Liu, Ma Jun, Chao Wang, Wei Li, Ye Zhong, Xuan Xie, Nyima Tashi, Jie Yu
Abstract: Large Language Models (LLMs) quantization facilitates deploying LLMs in resource-limited settings, but existing methods that combine incompatible gradient optimization and quantization truncation lead to serious convergence pathology. This prolongs quantization time and degrades LLMs' task performance. Our studies confirm that Straight-Through Estimator (STE) on Stiefel manifolds introduce non-smoothness and gradient noise, obstructing optimization convergence and blocking high-fidelity quantized LLM development despite extensive training. To tackle the above limitations, we propose SingleQuant, a single-pass quantization framework that decouples from quantization truncation, thereby eliminating the above non-smoothness and gradient noise factors. Specifically, SingleQuant constructs Alignment Rotation Transformation (ART) and Uniformity Rotation Transformation (URT) targeting distinct activation outliers, where ART achieves smoothing of outlier values via closed-form optimal rotations, and URT reshapes distributions through geometric mapping. Both matrices comprise strictly formulated Givens rotations with predetermined dimensions and rotation angles, enabling promising LLMs task performance within a short time. Experimental results demonstrate SingleQuant's superiority over the selected baselines across diverse tasks on 7B-70B LLMs. To be more precise, SingleQuant enables quantized LLMs to achieve higher task performance while necessitating less time for quantization. For example, when quantizing LLaMA-2-13B, SingleQuant achieves 1,400$\times$ quantization speedup and increases +0.57\% average task performance compared to the selected best baseline.
Authors: Alessandro De Palma, Greta Dolcetti, Caterina Urban
Abstract: Verified explanations are a principled way to explain the decisions taken by neural networks, which are otherwise black-box in nature. However, these techniques face significant scalability challenges, as they require multiple calls to neural network verifiers, each of them with an exponential worst-case complexity. We present FaVeX, a novel algorithm to compute verified explanations. FaVeX accelerates the computation by dynamically combining batch and sequential processing of input features, and by reusing information from previous queries, both when proving invariances with respect to certain input features, and when searching for feature assignments altering the prediction. Furthermore, we present a novel and hierarchical definition of verified explanations, termed verifieroptimal robust explanations, that explicitly factors the incompleteness of network verifiers within the explanation. Our comprehensive experimental evaluation demonstrates the superior scalability of both FaVeX, and of verifier-optimal robust explanations, which together can produce meaningful formal explanation on networks with hundreds of thousands of non-linear activations.
Authors: Juan Diego Toscano, Daniel T. Chen, George Em Karniadakis
Abstract: Bridging the gap between theoretical conceptualization and computational implementation is a major bottleneck in Scientific Computing (SciC) and Scientific Machine Learning (SciML). We introduce ATHENA (Agentic Team for Hierarchical Evolutionary Numerical Algorithms), an agentic framework designed as an Autonomous Lab to manage the end-to-end computational research lifecycle. Its core is the HENA loop, a knowledge-driven diagnostic process framed as a Contextual Bandit problem. Acting as an online learner, the system analyzes prior trials to select structural `actions' ($A_n$) from combinatorial spaces guided by expert blueprints (e.g., Universal Approximation, Physics-Informed constraints). These actions are translated into executable code ($S_n$) to generate scientific rewards ($R_n$). ATHENA transcends standard automation: in SciC, it autonomously identifies mathematical symmetries for exact analytical solutions or derives stable numerical solvers where foundation models fail. In SciML, it performs deep diagnosis to tackle ill-posed formulations and combines hybrid symbolic-numeric workflows (e.g., coupling PINNs with FEM) to resolve multiphysics problems. The framework achieves super-human performance, reaching validation errors of $10^{-14}$. Furthermore, collaborative ``human-in-the-loop" intervention allows the system to bridge stability gaps, improving results by an order of magnitude. This paradigm shift focuses from implementation mechanics to methodological innovation, accelerating scientific discovery.
Authors: Muhammad Bilal Shahid, Zhanhong Jiang, Prajwal Koirala, Soumik Sarkar, Cody Fleming
Abstract: Learned time-series models, whether continuous or discrete, are widely used for forecasting the states of dynamical systems but suffer from error accumulation in multi-step forecasts. To address this issue, we propose a Predictor-Corrector framework in which the Predictor is a learned time-series model that generates multi-step forecasts and the Corrector is a neural controlled differential equation that corrects the forecast errors. The Corrector works with irregularly sampled time series and is compatible with both continuous- and discrete-time Predictors. We further introduce two regularization strategies that improve the Corrector's extrapolation performance and accelerate its training. We also provide theoretical guarantees on the stability and convergence of the proposed framework. Experiments on synthetic, physics-based, and real-world datasets show that the proposed framework consistently improves forecasting performance across diverse Predictors, including neural ordinary differential equations, ContiFormer, and DLinear, demonstrating its predictor-agnostic nature.
Authors: Jingdi Lei, Di Zhang, Soujanya Poria
Abstract: In this paper, we introduce Exact Flow Linear Attention~(EFLA), an exact-flow formulation of delta-rule linear attention. We show that the delta-rule update can be interpreted as an explicit Euler discretization of an underlying continuous-time system. EFLA replaces this first-order update with the exact closed-form flow. By exploiting the rank-1 structure of the dynamics matrix, both the matrix exponential and the input integral collapse to a simple update that preserves delta-rule linear attention's algebraic structure, parameter count, linear-time complexity, and chunkwise parallelism. This attention mechanism removes the Euler discretization error of the delta-rule dynamics without introducing additional parameters. Experiments on robustness tests, language modeling benchmarks, and the MAD synthetic benchmark show that EFLA improves stability under corrupted and high-energy inputs, reduces perplexity, and achieves stronger downstream performance compared to SSM and Euler-style baselines. These results establish exact-flow integration as a principled and scalable update mechanism for delta-rule linear attention.
Authors: Nick Leenders, Thomas Quadt, Boris Cule, Roy Lindelauf, Herman Monsuur, Joost van Oijen, Mark Voskuijl
Abstract: Preferential Bayesian Optimization (PBO) aims to find a decision-maker's most preferred solution in as few pairwise comparisons as possible. Existing approaches rely on Gaussian Process (GP) surrogates, which provide strong performance but limited interpretability. This limits real-world usability in high-stakes domains, such as healthcare, where interpretability and trust are essential. We propose DT-PBO, a novel tree-based surrogate model for PBO that is inherently interpretable while capturing preference uncertainty. Specifically, we introduce a novel splitting heuristic that constructs interpretable shallow decision trees directly from pairwise comparison data, and use Laplace approximation to obtain probabilistic estimates for each leaf. This enables efficient preference modeling without sacrificing interpretability. Across eight benchmark functions, our method achieves competitive convergence to GP-based PBO, particularly on functions with rugged optimization landscapes. Additional experiments show robustness against noise and a fast computational running time. Experiments on real-world datasets further demonstrate that our model provides interpretable insights into decision-maker preferences that would remain opaque under GP-based approaches.
Authors: Seong Ho Pahng, Guoye Guan, Benjamin Fefferman, Sahand Hormoz
Abstract: Biological systems can form complex three-dimensional structures through the collective behavior of agents that share a common update rule and operate without central control. How such distributed control gives rise to precise global patterns remains a central question not only in developmental biology but also in distributed robotics, programmable matter, and multi-agent learning. Here, we introduce DiffeoMorph, an end-to-end differentiable framework for learning a morphogenesis protocol that guides a population of agents to morph into a target 3D shape. Each agent updates its position and internal state using an SE(3)-equivariant graph neural network, based on its own internal state and signals received from other agents. To train this system, we introduce a new shape-matching loss based on 3D Zernike polynomials, which compares the predicted and target shapes as continuous spatial distributions, not as discrete point clouds, and is invariant to agent ordering, number of agents, and global orientation. To achieve rotation invariance while preserving reflection sensitivity, we include an alignment step that optimally rotates the predicted Zernike spectrum to match the target before computing the loss. We perform benchmarking to establish the advantages of our shape-matching loss over other standard distance metrics for shape comparison tasks. We then demonstrate that DiffeoMorph can form a range of complex shapes from minimally patterned initial conditions. DiffeoMorph provides a general framework for learning distributed control strategies for morphogenesis, swarm robotics, and programmable self-assembly.
Authors: John Cartmell, Mihaela Cardei, Ionut Cardei
Abstract: We present a method that uses a Bloom filter transform to preprocess data for machine learning. Each sample is encoded into a compact bit-array representation using hash-based encoding, producing a fixed-length feature space that reduces memory usage and obfuscates original feature values. The encoding does not rely on keyed hashing; however, a key can optionally be used to control the mapping and would be required to reproduce the representation. We evaluate the approach on six datasets spanning text, time-series, tabular, and image domains: SMS Spam Collection, ECG200, Adult 50K, CDC Diabetes, MNIST, and Fashion MNIST. Four classifiers are considered: Extreme Gradient Boosting, Deep Neural Networks, Convolutional Neural Networks, and Logistic Regression. Results show that models trained on Bloom filter encodings achieve performance comparable to models trained on raw data or standard dimensionality reduction techniques across several datasets, while providing consistent memory savings. These findings suggest that Bloom filter encodings can serve as an efficient, general-purpose pre-processing representation that preserves useful similarity structure for learning tasks while providing a degree of data obfuscation.
Authors: Jingyang You, Hanna Kurniawati
Abstract: Bayesian Reinforcement Learning (BRL), a subclass of Meta-Reinforcement Learning (Meta-RL), provides a principled framework for generalisation by explicitly incorporating Bayesian task parameters into transition and reward models. However, classical BRL methods assume known forms of transition and reward models. While recent deep BRL methods incorporate model learning to address this, applying neural networks directly to joint data and task parameters necessitates variational inference. This often yields indistinct task representations, compromising the resulting BRL policies. To overcome these limitations, we introduce Generalised Linear Models in Deep Bayesian RL with Learnable Basis Functions (GLiBRL). Our approach features fully tractable Bayesian inference over task parameters and model noise, alongside exact marginal likelihood evaluation for learning transition and reward models. The permutation-invariant nature of exact Bayesian inference in GLiBRL enables seamless integration with both on-policy and off-policy RL algorithms. We further show that GLiBRL admits a closed-form relationship between the $\mathcal{L}_2$ distance of its task representations and empirical kernel-based correspondence between task samples, which is to our knowledge the first such structural result for online deep BRL. GLiBRL is compared against representative and recent Meta-RL methods, and improves state-of-the-art performance on both MuJoCo and MetaWorld benchmarks by up to 1.8$\times$.
Authors: Dominik Wagner, Ankit Kanwar, Luke Ong
Abstract: In safety-critical domains, reinforcement learning (RL) agents must often satisfy strict, zero-cost safety constraints while accomplishing tasks. Existing model-free methods frequently either fail to achieve near-zero safety violations or become overly conservative. We introduce Safety-Biased Trust Region Policy Optimisation (SB-TRPO), a principled algorithm for hard-constrained RL that dynamically balances cost reduction with reward improvement. At each step, SB-TRPO updates via a dynamic convex combination of the reward and cost natural policy gradients, ensuring a fixed fraction of optimal cost reduction while using remaining update capacity for reward improvement. Our method comes with formal guarantees of local progress on safety, while still improving reward whenever gradients are suitably aligned. Experiments on standard and challenging Safety Gymnasium tasks demonstrate that SB-TRPO consistently achieves the best balance of safety and task performance in the hard-constrained regime.
Authors: Nalin Dhiman
Abstract: \FANOS{} is a PyTorch optimizer that augments RMS-preconditioned momentum with a scalar feedback controller over update energy. The public reference implementation stores momentum in parameter-update units, applies a non-negative thermostat damping coefficient, supports diagonal, factored, and raw-gradient preconditioning, and exposes diagnostics intended for stability audits. This study gives a complete mathematical specification of the released optimizer, including the exact parameter-unit update, the study-equation physical update mode, bounded log-ratio thermostat control, adaptive preconditioner softening, warmup guardrails, and the experimental \Fast{} profile. We report the v0.2 evidence: five-seed reduced-sample MNIST, Fashion-MNIST, and CIFAR-10 experiments show mean top-1 gains of 0.889, 2.197, and 2.666 percentage points over AdamW for \Fast{}, but with 49.8\%, 61.6\%, and 56.8\% higher wall-clock time. Preliminary scientific, PINN, and EEG smoke tests are mixed and are treated as hypothesis-generating only. The evidence supports \FANOS{} as an alpha-stage research optimizer with a reproducible lightweight-vision signal and an explicit runtime bottleneck.
Authors: Bostan Khan, Masoud Daneshtalab
Abstract: Deploying federated learning across heterogeneous IoT device fleets requires tailored neural network architectures for each device class, yet existing Federated Neural Architecture Search (FedNAS) methods suffer from unguided supernet training and prohibitively costly post-training search pipelines that demand over 20 GPU-hours per deployment target. We introduce DeepFedNAS, a two-phase framework built on a multi-objective fitness function that synthesizes information-theoretic network metrics with architectural heuristics. In the first phase, Federated Pareto Optimal Supernet Training replaces random subnet sampling with a pre-computed cache of elite, high-fitness architectures, yielding a superior supernet. In the second phase, a Predictor-Free Search uses this fitness function as a zero-cost accuracy proxy, discovering hardware-optimized subnets in ~20 seconds, a ~61x speedup over the baseline pipeline. Experiments on CIFAR-10, CIFAR-100, and CINIC-10 demonstrate state-of-the-art accuracy (up to +1.21% on CIFAR-100), a 2.8x reduction in per-round transmission size, and robust performance under extreme non-IID conditions ({\alpha} = 0.1), making DeepFedNAS practical for scalable, communication-constrained IoT federations. Source code: https://github.com/bostankhan6/DeepFedNAS
Authors: Naram Mhaisen, George Iosifidis
Abstract: We introduce \textsc{$k$-lazyGD}, an online learning algorithm that bridges the gap between greedy Online Gradient Descent (OGD, for $k{=}1$) and lazy GD/dual-averaging (for $k{=}T$), creating a spectrum between reactive and stable updates. We analyze this spectrum in Smoothed Online Convex Optimization (SOCO), where the learner incurs both hitting and movement costs. Our main contribution is establishing that laziness is possible without sacrificing hitting performance: we prove that \textsc{$k$-lazyGD} achieves the optimal dynamic regret $\mathcal{O}(\sqrt{(P_T{+}1)T})$ for any laziness slack $k$ up to $\Theta(\sqrt{T/P_T})$, where $P_T$ is the comparator path length. This result formally connects the allowable laziness to the comparator's shifts, showing that \textsc{$k$-lazyGD} can retain the inherently small movements of lazy methods without compromising tracking ability. We base our analysis on the Follow the Regularized Leader (FTRL) framework, and derive a matching lower bound. Since the slack depends on $P_T$, an ensemble of learners with various slacks is used, yielding a method that is provably stable when it can be, and agile when it must be.
Authors: Yilie Huang, Wenpin Tang, Xunyu Zhou
Abstract: We consider time discretization for score-based diffusion models to generate samples from a learned reverse-time dynamic on a finite grid. Uniform and hand-crafted grids can be suboptimal given a budget on the number of time steps. We introduce Adaptive Reparameterized Time (ART), which controls the clock speed of a reparameterized time variable to redistribute computation along the sampling trajectory while preserving the terminal time, with the objective of minimizing the aggregate Euler discretization error. We derive a randomized companion ART-RL that recasts ART as a continuous-time reinforcement learning problem with Gaussian policies, and prove a two-directional bridge between the two: the deterministic ART optimum lifts to an optimal Gaussian policy, and conversely any optimal Gaussian policy must recover the ART control through its mean. This bridge turns continuous-time actor--critic learning into a principled, rather than heuristic, route to the deterministic timestep optimum. Within the official EDM pipeline, ART-RL improves FID on CIFAR--10 across a wide range of budgets; after one-time offline training, the distilled deterministic schedule transfers without retraining to AFHQv2, FFHQ, and ImageNet at no extra inference cost.
Authors: Michael Y. Hu, Jane Pan, Ayush Rajesh Jhaveri, Nicholas Lourie, Kyunghyun Cho
Abstract: Neural scaling laws predict how language model performance improves with increased training inputs. While aggregate metrics like validation loss can follow smooth power-law curves, individual downstream tasks exhibit diverse scaling behaviors: some improve monotonically, others plateau, and some even degrade with scale. We argue that predicting downstream performance from validation loss suffers from two limitations: averaging token-level losses obscures signal, and no simple parametric family can capture the full spectrum of scaling behaviors. To address this, we propose Neural Neural Scaling Laws (NeuNeu), a neural network that frames scaling law prediction as time-series extrapolation. NeuNeu combines temporal context from observed accuracy trajectories with token-level validation losses, learning to predict future performance without the limitations inherent in assuming a specific functional form. Trained entirely on open-source model checkpoints from HuggingFace, NeuNeu achieves 1.99% mean absolute error in predicting model accuracy on 66 downstream tasks -- a 44% reduction compared to logistic scaling laws (3.56% MAE). Furthermore, NeuNeu generalizes zero-shot to unseen model families, architectures, parameter counts, and downstream tasks. Our work suggests that predicting downstream scaling directly from data outperforms parametric alternatives.
Authors: Hyunjun Na, Donghwan Lee
Abstract: Gradient temporal-difference (GTD) learning algorithms are widely used for off-policy policy evaluation with function approximation. However, existing convergence analyses rely on the restrictive assumption that the so-called feature interaction matrix (FIM) is nonsingular. In practice, the FIM can become singular and leads to instability or degraded performance. While some prior works have applied regularization to relax the nonsingularity assumption, their theoretical guarantees inevitably rely on other restrictive conditions. In this paper, we propose a regularized optimization objective by reformulating the mean-square projected Bellman error minimization. This formulation naturally yields a regularized GTD algorithms, referred to as R-GTD, which guarantees convergence to a unique solution even when the FIM is singular. We conduct a geometric analysis to establish theoretical convergence guarantees and explicit error bounds for the proposed method, and validate its effectiveness through empirical experiments.
Authors: Anderson de Andrade, Alon Harell, Ivan V. Baji\'c
Abstract: Many computer vision tasks share substantial overlapping information, yet conventional codecs tend to ignore this, leading to redundant and inefficient representations. The Gray-Wyner network, a classical concept from information theory, offers a principled framework for separating common and task-specific information. Inspired by this idea, we develop a learnable three-channel codec that disentangles shared information from task-specific details across multiple vision tasks. We characterize the limits of this approach through the notion of lossy common information, and propose an optimization objective that balances inherent tradeoffs in learning such representations. Through comparisons of three codec architectures on two-task scenarios spanning six vision benchmarks, we demonstrate that our approach substantially reduces redundancy and consistently outperforms independent coding. These results highlight the practical value of revisiting Gray-Wyner theory in modern machine learning contexts, bridging classic information theory with task-driven representation learning.
Authors: Simon Kuang, Xinfan Lin
Abstract: We study the problem of propagating the mean and covariance of a general multivariate Gaussian distribution through a deep (residual) neural network using layer-by-layer moment matching. We close a longstanding gap by deriving exact moment matching for the probit, GeLU, ReLU (as a limit of GeLU), Heaviside (as a limit of probit), and sine activation functions; for both feedforward and generalized residual layers. On random networks, we find orders-of-magnitude improvements in the KL divergence error metric, up to a millionfold, over popular alternatives. On a variational Bayes neural network, we show that our method attains hundredfold improvements in KL divergence from Monte Carlo ground truth over a state-of-the-art deterministic inference method. We also give a smooth-distance error bound showing that, under regularity assumptions, moment matching removes the leading low-variance errors and propagates higher-order local accuracy through the layers of a network.
Authors: Saul Santos, Nuno Gon\c{c}alves, Daniel C. McNamee, Marcos Treviso, Andr\'e F. T Martins
Abstract: Recent work has revealed a link between self-attention mechanisms in transformers and test-time kernel regression via the Nadaraya-Watson estimator, with standard softmax attention corresponding to a Gaussian kernel. However, a kernel-theoretic understanding of sparse attention mechanisms is currently missing. In this paper, we establish a formal correspondence between sparse attention and compact (bounded support) kernels. We show that normalized ReLU and sparsemax attention arise from Epanechnikov kernel regression under fixed and adaptive normalizations, respectively. More generally, we demonstrate that widely used kernels in nonparametric density estimation -- including Epanechnikov, biweight, and triweight -- correspond to $\alpha$-entmax attention with $\alpha = 1 + \frac{1}{n}$ for $n \in \mathbb{N}$, while the softmax/Gaussian relationship emerges in the limit $n \to \infty$. This unified perspective explains how sparsity naturally emerges from kernel design and provides principled alternatives to heuristic top-$k$ attention and other associative memory mechanisms. Experiments with a kernel-regression-based variant of transformers -- Memory Mosaics -- show that kernel-based sparse attention achieves competitive performance on language modeling, in-context learning, and length generalization tasks, offering a principled framework for designing attention mechanisms.
Authors: Jiaqi Yin, Baiming Chen, Jia Fei, Mingjun Yang
Abstract: Functional miRNA--mRNA targeting is a large-bag prediction problem where each transcript yields a heavy-tailed pool of candidate target sites (CTSs), yet only a pair-level label is observed. Prior methods use max-pooling over individual CTS scores, ignoring relational patterns among sites, but modeling these patterns is critical for accuracy. The challenge is that naive relational aggregation incurs $\mathcal{O}(n^2)$ cost, prohibitive when $n$ reaches thousands, yet a cheap scan alone discards the very interactions that drive functional repression. We formalize this tension as \emph{Budgeted Relational Multi-Instance Learning (BR-MIL)}, a new MIL problem where the compute budget $K$ is a first-class constraint such that at most $K$ instances per bag may receive expensive encoding and relational processing. We establish theoretical foundations for BR-MIL, proving that both approximation quality and generalization are governed by $K$ rather than the raw bag size $n$. Building on this theory, we propose \textbf{PAIR-Former}, which scans all candidates cheaply, selects $K$ diverse CTSs, and aggregates them via Set Transformer. PAIR-Former achieves state-of-the-art performance, outperforming all reproduced baselines with F1$=0.840$ on miRAW (10-fold balanced CV) and $0.839$ on deepTargetPro in transfer evaluation, while achieving $0.793$ on the large-scale MTI benchmark (420K pairs, $38\times$ larger), demonstrating that budgeted relational MIL scales where naive approaches fail. Additional results on CAMELYON16 and Musk2 further show that the proposed BR-MIL formulation extends beyond biological sequence modeling.
Authors: Md Tanvirul Alam, Aritran Piplai, Ionut Cardei, Nidhi Rastogi, Peter J Worth Jr
Abstract: Cyber threat intelligence (CTI) analysts routinely convert noisy, unstructured security artifacts into standardized, automation-ready representations. Although large language models (LLMs) show promise for this task, existing approaches remain brittle when producing structured CTI outputs and have largely relied on supervised fine-tuning (SFT). In contrast, CTI standards and community-maintained resources define canonical identifiers and schemas that enable deterministic verification of model outputs. We leverage this structure to study reinforcement learning with verifiable rewards (RLVR) for CTI tasks. We introduce Minerva, a unified dataset and training pipeline spanning multiple CTI subtasks, each paired with task-specific verifiers that score structured outputs and identifier predictions. To address reward sparsity during rollout, we propose MinervaRL, a lightweight self-training mechanism that generates additional verified trajectories and distills them back into the model. Averaged across four backbones and 12 CTI benchmarks, MinervaRL improves the mean score by 15.8 percentage points over the corresponding base models and by 4.3 points over GRPO.
Authors: Zhishen Sun, Sizhe Dang, Guang Dai, Haishan Ye
Abstract: Reinforcement learning (RL) has become a key training step for improving mathematical reasoning in large language models (LLMs), but it often has high GPU memory usage, which makes it hard to use in settings with limited resources. To reduce these issues, we propose Evolution Strategies with Sharpness-Aware Maximization (ESSAM), a full parameter fine-tuning framework that tightly combines the zero-order search in parameter space from Evolution Strategies (ES) with the Sharpness-Aware Maximization (SAM) to improve generalization. We conduct fine-tuning experiments on the mainstream mathematica reasoning task GSM8K. The results show that ESSAM achieves an average accuracy of 78.27\% across all models and its overall performance is comparable to RL methods. It surpasses classic RL algorithm PPO with an accuracy of 77.72\% and is comparable to GRPO with an accuracy of 78.34\%, and even surpassing them on some models. Further generalization experiments show that the models trained with ESSAM exhibit stronger generalization ability. Their average performance achieves the best results on 5 out of 6 datasets, indicating that ESSAM can effectively improve the generalization performance of fine-tuned models. In terms of GPU memory usage, ESSAM reduces the average GPU memory usage by $18\times$ compared to PPO and by $10\times$ compared to GRPO, achieving an extremely low GPU memory usage. In addition, we design an accelerated variant of ESSAM, which achieves nearly a twofold speedup while maintaining the same GPU memory usage as ESSAM, and attains an average accuracy of 78.02\% across all models, outperforming PPO. Code: https://github.com/szs777/ESSAM
Authors: Matias D. Cattaneo, Boris Shigida
Abstract: With limited high-quality data and growing compute, multi-epoch training is gaining back its importance across sub-areas of deep learning. Adam(W), versions of which are go-to optimizers for many tasks such as next token prediction, has two momentum hyperparameters $(\beta_1, \beta_2)$ controlling memory and one very important hyperparameter, batch size, controlling (in particular) the amount mini-batch noise. We introduce a theoretical framework to understand how mini-batch noise influences the implicit bias of memory in Adam (depending on $\beta_1$, $\beta_2$) towards sharper or flatter regions of the loss landscape, which is commonly observed to correlate with the generalization gap in multi-epoch training. We find that in the case of large batch sizes, higher $\beta_2$ increases the magnitude of anti-regularization by memory (hurting generalization), but as the batch size becomes smaller, the dependence of (anti-)regulariation on $\beta_2$ is reversed. A similar monotonicity shift (in the opposite direction) happens in $\beta_1$. In particular, the commonly "default" pair $(\beta_1, \beta_2) = (0.9, 0.999)$ is a good choice if batches are small; for larger batches, in many settings moving $\beta_1$ closer to $\beta_2$ is much better in terms of validation accuracy in multi-epoch training. Moreover, our theoretical derivations connect the scale of the batch size at which the shift happens to the scale of the critical batch size. We illustrate this effect in experiments with small-scale data in the about-to-overfit regime.
Authors: Arjun Roy, Prajna G. Malettira, Manish Nagaraj, Kaushik Roy
Abstract: Geometric data pruning methods, while practical for leveraging pretrained models, are fundamentally unstable. Their reliance on extrinsic geometry renders them highly sensitive to latent space perturbations, causing performance to degrade during cross-architecture transfer or in the presence of feature noise. We introduce TopoPrune, a framework which resolves this challenge by leveraging topology to capture the stable, intrinsic structure of data. TopoPrune operates at two scales, (1) utilizing a topology-aware manifold approximation to establish a global low-dimensional embedding of the dataset. Subsequently, (2) it employs differentiable persistent homology to perform a local topological optimization on the manifold embeddings, ranking samples by their structural complexity. We demonstrate that our unified dual-scale topological approach ensures high accuracy and precision, particularly at significant dataset pruning rates (e.g., 90%). Furthermore, through the inherent stability properties of topology, TopoPrune is (a) exceptionally robust to noise perturbations of latent feature embeddings and (b) demonstrates superior transferability across diverse network architectures. This study demonstrates a promising avenue towards stable and principled topology-based frameworks for robust data-efficient learning.
Authors: Rares Grozavescu, Pengyu Zhang, Etienne Meunier, Mark Girolami
Abstract: Forecasting physical systems over long horizons from irregularly sampled observations demands models that are stable, computationally efficient, and free of fixed-timestep assumptions. We address this with a continuous-time Koopman autoencoder whose latent dynamics obey $dz/dt = \mathbf{K}_{\mathrm{cont}} z$, yielding closed-form inference via $z(\tau) = \exp(\mathbf{K}_{\mathrm{cont}} \tau) z(0)$ at any horizon $\tau$ in a single step. This decouples forecast cost from forecast length at inference time and supports data assimilation as gradient-based optimization with cost independent of the assimilation window. However, scaling continuous-time Koopman dynamics to high-dimensional chaotic systems causes severe latent instability, including spectral collapse and trajectory divergence over long horizons. In contrast, discrete Koopman methods train an operator $\mathbf{A}$ such that $z_{t+\Delta t} = \mathbf{A} z_t$; recovering the continuous generator could be theoretically done through matrix logarithm but requires conditions not guaranteed by training, and approximation errors grow with the $\Delta t$ imposed by the training data. These methods also require fixed, regular timesteps. We identify an empirically effective set of structural constraints -- rollout training, forward-backward consistency, latent regularization, and physics-conditioned LoRA -- sufficient for stable long-horizon latent dynamics. On challenging fluid benchmarks, our method outperforms strong diffusion and operator-learning baselines on long-horizon forecasting while achieving a 110$\times$ inference speedup.
Authors: Yao-Hui Li, Zeyu Wang, Xin Li, Wei Pang, Yingfang Yuan, Zhengkun Chen, Boya Zhang, Riashat Islam, Alex Lamb, Yonggang Zhang
Abstract: Model-based reinforcement learning (MBRL) is sample-efficient but struggles in sparse reward settings. A critical bottleneck arises from the lack of informative gradients in sparse settings, where standard reward models often yield flat landscapes that struggle to guide planning. To address this challenge, we propose Shaping Landscapes with Optimistic Potential Estimates (SLOPE), a novel framework that shifts reward modeling from predicting sparse scalars to constructing informative potential landscapes. SLOPE employs optimistic distributional regression to estimate high-confidence upper bounds, which amplifies rare success signals and ensures sufficient exploration gradients. Evaluations on 30+ tasks across 5 benchmarks and real-world robotic deployments, demonstrate that SLOPE consistently outperforms leading baselines in fully sparse, semi-sparse, and dense rewards.
Authors: Fanyi Wu, Veronika Lohmanova, Samuel Kaski, Michele Caprio
Abstract: We propose Bayesian Conformal Prediction (BCP), a framework that combines Bayesian posterior predictive distributions with PAC-style conformal risk control to produce prediction sets with finite-sample coverage guarantees. Standard quantile-threshold conformal methods often construct prediction sets using a single fixed threshold, which typically yields connected prediction sets. While valid, such sets can be inefficient when the posterior predictive distribution is multimodal, since they may span low-density regions between separated modes. The main contribution of BCP is to formulate conformal prediction as a decision-risk optimisation problem, extending standard fixed quantile-threshold sets to optimised highest posterior density (HPD) prediction sets. These sets can be disjoint, concentrating probability mass on separated high-density regions. Validity is enforced using a PAC-style risk constraint, which provides coverage control even when the Bayesian model is misspecified. In standard nested-threshold settings, BCP recovers the smallest feasible threshold, aligning with existing PAC-based approaches. In the multimodal experiment, HPD geometry substantially improves efficiency, reducing mean prediction set size from $4.82$ to $2.07$ while satisfying the target PAC pass rate. Across regression, classification, and distribution-shift experiments, BCP maintains reliable coverage under model misspecification, whereas Bayesian credible intervals can fail to preserve nominal coverage.
Authors: Meng Lou, Yunxiang Fu, Yizhou Yu
Abstract: Continual learning, especially class-incremental learning (CIL), on the basis of a pre-trained model (PTM) has garnered substantial research interest in recent years. However, how to effectively learn both discriminative and comprehensive feature representations while maintaining stability and plasticity over very long task sequences remains an open problem. We propose CaRE, a scalable {C}ontinual Le{a}rner with efficient Bi-Level {R}outing Mixture-of-{E}xperts (BR-MoE). The core idea of BR-MoE is a bi-level routing mechanism: a router selection stage that dynamically activates relevant task-specific routers, followed by an expert routing phase that dynamically activates and aggregates experts, aiming to inject discriminative and comprehensive representations into every intermediate network layer. On the other hand, we introduce a challenging dataset, OmniBenchmark-1K, for CIL performance evaluation on very long task sequences with hundreds of tasks. Extensive experiments show that CaRE demonstrates leading performance across a variety of datasets and task settings, including commonly used CIL datasets with classical CIL settings (e.g., 5-20 tasks). To the best of our knowledge, CaRE is the first continual learner that scales to very long task sequences (ranging from 100 to over 300 non-overlapping tasks), while outperforming all baselines by a large margin on such task sequences. We hope that this work will inspire further research into continual learning over extremely long task sequences. Code and dataset are publicly released at https://github.com/LMMMEng/CaRE.
Authors: Linda Ariel Ventura, Victoria Bosch, Tim C Kietzmann, Sushrut Thorat
Abstract: Adaptive cognition requires structured internal models of objects and their relations. Predictive neural networks are often proposed to learn such world models, but how these are instantiated and how they support prediction remain unclear. We investigate this in a minimal in-silico setting. A recurrent neural network samples tokens sequentially from 2D continuous token scenes and is trained to predict the upcoming token from the current input and a saccade-like displacement. On novel scenes, prediction accuracy improves across the sequence, indicating in-context learning. Decoding analyses reveal path integration and dynamic binding of token identity to position. Interventional analyses show that new bindings can be learned late in sequence and that out-of-distribution bindings can be learned as well. Together, these findings show how structured representations relying on flexible binding emerge to support prediction, offering a mechanistic account of sequential world modeling relevant to cognitive science.
Authors: Ananya Parashar, Derek Long, Dwaipayan Saha, Krzysztof Choromanski
Abstract: We present a new paradigm for creating random features to approximate bi-variate functions (in particular, kernels) defined on general manifolds. This new mechanism of Manifold Random Features (MRFs) leverages discretization of the manifold and the recently introduced technique of Graph Random Features (GRFs) to learn continuous fields on manifolds. Those fields are used to find continuous approximation mechanisms that otherwise, in general scenarios, cannot be derived analytically. MRFs provide positive and bounded features, a key property for accurate, low-variance approximation. We show deep asymptotic connection between GRFs, defined on discrete graph objects, and continuous random features used for regular kernels. As a by-product of our method, we re-discover recently introduced mechanism of Gaussian kernel approximation applied in particular to improve linear-attention Transformers, considering simple random walks on graphs and by-passing original complex mathematical computations. We complement our algorithm with a rigorous theoretical analysis and verify in thorough experimental studies.
Authors: Giacomo Frisoni, Lorenzo Molfetta, Davide Freddi, Gianluca Moro
Abstract: Modern chess language models are dense transformers trained on millions of games played by thousands of high-rated individuals. However, these monolithic networks tend to collapse into mode-averaged behavior, where stylistic boundaries are blurred, and rare but effective strategies are suppressed. To counteract homogenization, we introduce Mixture-of-Masters (MoM), the first chess mixture-of-experts model with small-sized GPT experts emulating world-class grandmasters. For each move, a post-hoc learnable gating network selects the most appropriate persona to channel depending on the game state, allowing MoM to switch its style dynamically, e.g., Tal's offensive vocation or Petrosian's defensive solidity. When evaluated against Stockfish on unseen standard games, MoM outperforms both dense individual expert networks and popular GPT baselines trained on aggregated data, while ensuring generation variety, control, and interpretability.
Authors: Sahil Joshi, Agniva Chowdhury, Wyatt Bellinger, Amar Kanakamedala, Ekam Singh, Hoang Anh Duy Le, Aditya Desai, Anshumali Shrivastava
Abstract: Exploiting sparsity during long-context inference is key to scaling large language models, as attention dominates the cost of autoregressive decoding. Sparse attention reduces this cost by restricting computation to a subset of tokens, but its effectiveness depends on efficient scoring and selection at inference time. We revisit Locality-Sensitive Hashing (LSH) and introduce SOCKET, a SOft Collision Kernel EsTimator that replaces hard bucket matches with probabilistic, similarity-aware aggregation. Traditional LSH yields binary collision signals that limit ranking quality and require substantial memory to perform well. In contrast, soft LSH accumulates graded collision evidence across hash tables, preserving top-k ordering with significantly less memory. This reframes LSH from a candidate generator into a principled scoring kernel for sparse attention. Leveraging this property, SOCKET enables efficient token selection without ad hoc voting and matches or surpasses prior sparse attention methods across multiple long-context benchmarks. With a custom CUDA scoring kernel and a Flash Decode Triton backend, SOCKET achieves up to 1.5$\times$ higher throughput than FlashAttention.
Authors: Dingzhi Yu, Hongyi Tao, Yuanyu Wan, Luo Luo, Lijun Zhang
Abstract: While adaptive gradient methods are the workhorse of modern machine learning, sign-based optimization algorithms such as Lion and Muon have recently demonstrated superior empirical performance over AdamW in training large language models (LLM). However, a theoretical understanding of why sign-based updates outperform variance-adapted methods remains elusive. In this paper, we aim to bridge the gap between theory and practice through the lens of heavy-tailed gradient noise, a phenomenon frequently observed in language modeling tasks. Theoretically, we introduce a novel generalized heavy-tailed noise condition that captures the behavior of LLMs more accurately than standard finite variance assumptions. Under this noise model, we establish sharp convergence rates of SignSGD and Lion for generalized smooth function classes, matching or surpassing previous best-known bounds. Furthermore, we extend our analysis to Muon and Muonlight, providing what is, to our knowledge, the first rigorous analysis of matrix optimization under heavy-tailed stochasticity. These results offer a strong theoretical justification for the empirical superiority of sign-based optimizers, showcasing that they are naturally suited to handle the noisy gradients associated with heavy tails. Empirically, LLM pretraining experiments validate our theoretical insights and confirm that our proposed noise models are well-aligned with practice.
Authors: Xincan Feng, Taro Watanabe
Abstract: Cosine similarity normalizes both sides; dot product normalizes neither. We propose a 2x2 framework that independently controls query-side and document-side normalization, exposing two intermediate variants (QNorm, DNorm) that have not been previously studied. On retrieval with four encoders, evaluated in-domain on MS MARCO and out-of-domain on BEIR, BRIGHT, and multi-hop QA, the unilateral variants outperform both cosine and dot product, with relative gains of up to +72% out-of-domain and +24% on downstream RAG. Cross-evaluation reveals the mechanism: document magnitude scales inference scores while query magnitude modulates training gradients, and the Fisher Information Matrix condition number predicts which side to normalize. We then classify tasks by functional symmetry, defined as whether the aggregate scoring procedure treats Q and C as interchangeable, and test whether the mechanism extends beyond retrieval. On five additional task families (semantic textual similarity, CLIP, knowledge graph completion, few-shot classification, recommender systems), the coarse prediction (cosine for symmetric, magnitude-preserving for asymmetric) holds in every case examined; the unilateral variants beat Cosine on recommendation, and on few-shot classification DNorm beats both Cosine and the standard Euclidean default of Prototypical Networks.
Authors: Kun Chen, Peng Shi, Fanfan Liu, Haibo Qiu, Zhixiong Zeng, Siqi Yang, Wenji Mao
Abstract: Reinforcement Learning with Verifiable Rewards (RLVR) has emerged as a critical method for enhancing the reasoning capabilities of Large Language Models (LLMs). However, continuous training often leads to policy entropy collapse, characterized by a rapid decay in entropy that results in premature overconfidence, reduced output diversity, and vanishing gradient norms that inhibit learning. Gradient-Preserving Clipping is a primary factor influencing these dynamics, but existing mitigation strategies are largely static and lack a framework connecting clipping mechanisms to precise entropy control. This paper proposes reshaping entropy control in RL from the perspective of Gradient-Preserving Clipping. We first theoretically and empirically verify the contributions of specific importance sampling ratio regions to entropy growth and reduction. Leveraging these findings, we introduce a novel regulation mechanism using dynamic clipping thresholds to precisely manage entropy. Furthermore, we design and evaluate dynamic entropy control strategies, including increase-then-decrease, decrease-increase-decrease, and oscillatory decay. Experimental results demonstrate that these strategies effectively mitigate entropy collapse and achieve superior performance across multiple benchmarks.
Authors: Sho Sonoda, Shunta Akiyama, Yuya Uezato
Abstract: Agentic theorem provers often introduce intermediate lemmas, proof sketches, or subgoal decompositions before returning to tactic-level search. This can look like an expensive detour: if proving lemmas is itself hard, why should a learned prover spend effort there? We give a statistical learning answer. Instead of worst-case proof complexity over all formulas, we study the biased data distribution produced by a teacher prover: initial theorem states together with successful verified proof traces. We model proof search as a deterministic finite-horizon MDP and analyze offline imitation learning from those traces. The success bounds depend on the average length of teacher proofs, how predictable the teacher's next action is, and how accurately the student learns that local prediction problem. A flat student learns from fully inlined traces, so repeated subproofs appear many times in its training and test-time certificate. A hierarchical student instead predicts a reusable proof DAG and solves each shared block once. When flattening duplicates the same hard local argument exponentially many times, the sufficient-sample certificate produced by our bounds can be exponentially smaller for the hierarchical learner. This gives a concrete statistical mechanism by which reusable proof structure helps verifier-based theorem proving.
Authors: Guobin Shen, Chenxiao Zhao, Xiang Cheng, Lei Huang, Xing Yu
Abstract: Off-policy updates are inevitable in reinforcement learning (RL) for large language models (LLMs) due to rollout staleness from asynchronous training and mismatches between training and inference engines. Naive importance sampling gives an unbiased correction but suffers from high variance, which is amplified by unbounded ratios and autoregressive generation. Prior remedies either rely on scenario-specific engineering, or trade bias for variance via token-level clipping or sequence-level normalization, yet these approaches remain largely heuristic. We propose Variational sEquence-level Soft Policy Optimization (VESPO). By explicitly incorporating variance reduction into a variational formulation, we derive a principled closed-form reshaping kernel that operates directly on sequence-level importance weights, avoids token-level approximation and length normalization, and admits an explicit variance bound for the deployed kernel. Experiments on math reasoning and code generation show that VESPO maintains stable training under severe off-policy conditions (staleness up to 64x) and delivers consistent gains across both dense and Mixture-of-Experts (MoE) models, outperforming recent reshaping baselines under matched setup. Code is available at https://github.com/FloyedShen/VESPO.
Authors: Muhammad bin Javaid, Hasham Hussain, Ashima Khanna, Berke Kisin, Jonathan Pirnay, Alexander Mitsos, Dominik G. Grimm, Martin Grohe
Abstract: In structurally constrained molecular optimization, state-of-the-art methods restart an expensive oracle-driven search from scratch for every new input structure, scaling poorly to settings with many starting structures or expensive oracles. While amortized approaches that learn a transferable policy could in principle remove this bottleneck, existing methods struggle to generalize to diverse structural constraints at inference time. We present AMORTIX, an amortized Graph Transformer model that natively supports such constraints, optimizing molecular structures in a single forward pass with zero inference-time oracle calls. A central challenge for amortized training in this domain is that optimization difficulty varies drastically across starting structures. We show that, under this heterogeneity, standard reinforcement learning methods fail to stabilize training, and address this by normalizing rewards within groups of completions sharing the same starting structure. We evaluate on structurally constrained single- and multi-target kinase inhibitor design, and on a few-shot prodrug case study. AMORTIX outperforms both amortized and instance-optimization baselines on goal-directed scaffold decoration and ranks first among amortized methods on the PMO benchmark; the prodrug case study further demonstrates transfer of a learned modification rule to unseen drug structures. Code is available at https://github.com/Hash-hh/AMORTIX/.
Authors: Mohammad Pedramfar, Vaneet Aggarwal
Abstract: Optimizing non-convex functions is a fundamental challenge across machine learning and combinatorial optimization. We introduce and study $\gamma$-weakly $\theta$-up-concavity, a novel first-order condition that characterizes a broad class of such functions. This condition provides a powerful unifying framework, strictly generalizing both DR-submodular and One-Sided Smooth (OSS) functions while capturing broader forms of scale-dependent curvature, including accumulating-then-diminishing returns and flat-start behavior. Our central theoretical contribution demonstrates that $\gamma$-weakly $\theta$-up-concave functions are upper-linearizable: for any feasible point, we can construct a linear surrogate whose gains provably approximate the original non-linear objective. A key technical contribution is a nonuniform upper-linearization argument yielding approximation coefficients that depend explicitly on the curvature parameters and the geometry of the feasible region. This linearizability yields immediate and unified approximation guarantees for a wide range of problems. Specifically, we obtain unified approximation guarantees for offline optimization as well as static and dynamic regret bounds in online settings via standard reductions to linear optimization. Moreover, our framework recovers the optimal approximation coefficient for DR-submodular maximization and improves existing approximation coefficients for OSS optimization, particularly over matroid constraints.
Authors: Ilia Mahrooghi, Aryo Lotfi, Emmanuel Abbe
Abstract: Reinforcement learning has emerged as a powerful paradigm for unlocking reasoning capabilities in language models. However, relying on sparse rewards makes this process highly sample-inefficient, as models must navigate vast search spaces with minimal feedback. While classic curriculum learning aims to mitigate this by ordering data based on complexity, prior works have primarily targeted small datasets and do not directly transfer to the large-scale settings typical of modern LM training. Furthermore, the right ordering for a specific model is often unclear. To address this, we propose Goldilocks, a novel teacher-driven data sampling strategy that aims to predict each question's difficulty for the student model. The teacher model selects questions of appropriate difficulty for the student model, i.e., questions that are neither too easy nor too hard (Goldilocks principle), while training the student with GRPO. By leveraging the student's performance on seen samples, the teacher continuously adapts to the student's evolving abilities. On the OpenMathReasoning dataset, Goldilocks data sampling improves the performance of models trained with standard GRPO under the same compute budget.
Authors: Tianmeng Hu, Yongzheng Cui, Biao Luo, Ke Li
Abstract: The inverse design of RNA three-dimensional (3D) structures is crucial for engineering functional RNAs in synthetic biology and therapeutics. While recent deep learning approaches have advanced this field, they are typically optimized and evaluated using native sequence recovery, which is a limited surrogate for structural fidelity, since different sequences can fold into similar 3D structures and high recovery does not necessarily indicate correct folding. To address this limitation, we propose RIDER, an RNA Inverse DEsign framework with Reinforcement learning that directly optimizes for 3D structural similarity. First, we develop and pre-train a GNN-based generative diffusion model conditioned on the target 3D structure, achieving a 9% improvement in native sequence recovery over state-of-the-art methods. Then, we fine-tune the model with an improved policy gradient algorithm using four task-specific reward functions based on 3D self-consistency metrics. Experimental results show that RIDER improves structural similarity by over 100% across all metrics and discovers designs that are distinct from native sequences.
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: Chanwoo Chun, Alexandre Polo, SueYeon Chung
Abstract: Chain-of-Thought (CoT) prompting significantly improves reasoning in Large Language Models, yet the temporal dynamics of the underlying representation geometry remain poorly understood. We investigate these dynamics by applying Manifold Capacity Theory (MCT) to two compositional reasoning tasks: a controlled Boolean logic tree that supports deep mechanistic analysis, and a natural-language eligibility task in which the model has to extract attributes from prose, compare them to thresholds, and compose the local decisions through a fixed evaluation tree. MCT lets us quantify the linear separability of latent representations without the confounding factors of probe training. On both tasks, and across several open-weight models, reasoning manifests as a transient geometric pulse: concept manifolds are untangled into linearly separable subspaces immediately prior to computation and rapidly compressed thereafter. This behavior diverges from standard linear probe accuracy, which remains high long after computation, suggesting a fundamental distinction between information that is merely retrievable and information that is geometrically prepared for processing. We interpret this phenomenon as Dynamic Manifold Management, a mechanism where the model dynamically modulates representational capacity to optimize the bandwidth of the residual stream throughout the reasoning chain.
Authors: Ahmed Mohamed Eisa Nasr, Ali Elham, Haris Moazam Sheikh
Abstract: In engineering design and scientific computing, computational cost and predictive accuracy are intrinsically coupled. High-fidelity simulations provide accurate predictions but at substantial computational costs, while lower-fidelity approximations offer efficiency at the expense of accuracy. Multi-fidelity surrogate modelling addresses this trade-off by combining abundant low-fidelity data with sparse high-fidelity observations. However, existing methods rely on global correlation assumptions that can often fail in practice to capture how fidelity relationships vary across the input space, leading to poor performance, particularly under tight budget constraints. We introduce MAST, a method that blends corrected low-fidelity observations with high-fidelity predictions, trusting high-fidelity near observed samples and relying on corrected low-fidelity elsewhere. MAST achieves this through explicit discrepancy modelling and distance-based weighting with closed-form variance propagation, producing a single heteroscedastic Gaussian process. Across multi-fidelity synthetic benchmarks, MAST shows a marked improvement over the current state-of-the-art techniques. Crucially, MAST maintains robust performance across varying total budget and fidelity gaps, conditions under which competing methods exhibit significant degradation or unstable behaviour. More broadly, MAST provides a spatially adaptive framework for multi-fidelity Gaussian-process modelling, in which the contribution of low-fidelity information is governed by its proximity to high-fidelity calibration data, opening a new direction for more reliable surrogate construction under sparse and budget-constrained settings.
Authors: Phil Blandfort, Tushar Karayil, Alex McKenzie, Urja Pawar, Robert Graham, Dmitrii Krasheninnikov
Abstract: Moral benchmarks for LLMs typically score models on context-free prompts, implicitly treating the measured choice rate as stable. We test this assumption with a direction-flipped influence audit: for each scenario, we compare a baseline prompt with matched cues steering toward option A or option B. Across a trolley-problem-style moral triage task, BBQ, and DailyDilemmas, and across five LLM families with and without reasoning, short contextual cues shift per-condition choice rates by 12-18 percentage points on average. These shifts reveal structure that baseline scores miss: roughly 40% of baseline-neutral triage and BBQ conditions exhibit directional asymmetry under influence, and a meaningful share of significant effects backfire, moving opposite the cue's intended direction. In follow-up probes, models often recognize the cue while denying that it affected their choice. Among significant backfire trials, this stated-vs.-revealed inconsistency appears in 78% of cases. Reasoning does not eliminate contextual sensitivity but reshapes it: social-pressure cues such as user preference and emotional appeal weaken across benchmarks, while few-shot demonstrations strengthen sharply on both triage and BBQ. We recommend direction-flipped influence pairs as a standard complement to context-free moral-bias evaluation, and release the harness and data to make such audits routine.
Authors: Xiang Li, Yuheng Zhang, Nan Jiang
Abstract: We investigate the theoretical aspects of offline reinforcement learning (RL) under general function approximation. While prior works (e.g., Xie et al., 2021) have established the theoretical foundations of learning a good policy from offline data via pessimism, existing algorithms that are computationally tractable (often in an oracle-efficient sense), such as PSPI, only apply to finite and small action spaces. Moreover, these algorithms rely on state-wise mirror descent and require actors to be implicitly induced from the critic functions, failing to accommodate standalone policy parameterization which is ubiquitous in practice. In this work, we address these limitations and extend the theoretical guarantees to parameterized policy classes over large or continuous action spaces. When extending mirror descent to parameterized policies, we identify contextual coupling as the core difficulty, and show how connecting mirror descent to natural policy gradient leads to novel analyses, guarantees, and algorithmic insights, including a surprising unification between offline RL and imitation learning.
Authors: Bruno Petrungaro, Anthony C. Constantinou
Abstract: Causal machine learning (ML) recovers graphical structures that inform us about potential cause-and-effect relationships. Most progress has focused on cross-sectional data with no explicit time order, whereas recovering causal structures from time series data remains the subject of ongoing research in causal ML. In addition to traditional causal ML, this study assesses econometric methods that some argue can recover causal structures from time series data. The use of these methods can be explained by the significant attention the field of econometrics has given to causality, and specifically to time series, over the years. This presents the possibility of comparing the causal discovery performance between econometric and traditional causal ML algorithms. We seek to understand if there are lessons to be incorporated into causal ML from econometrics, and provide code to translate the results of these econometric methods to the most widely used Bayesian Network R library, bnlearn. We investigate the benefits and challenges that these algorithms present in supporting policy decision-making, using the real-world case of COVID-19 in the UK as an example. Four econometric methods are evaluated in terms of graphical structure, model dimensionality, and their ability to recover causal effects, and these results are compared with those of eleven causal ML algorithms. Amongst our main results, we see that econometric methods provide clear rules for temporal structures, whereas causal-ML algorithms offer broader discovery by exploring a larger space of graph structures that tends to lead to denser graphs that capture more identifiable causal relationships.
Authors: Chengwei Wu
Abstract: We introduce VDCook: a self-evolving video data operating system, a configurable video data construction platform for researchers and vertical domain teams. Users initiate data requests via natural language queries and adjustable parameters (scale, retrieval-synthesis ratio, quality threshold). The system automatically performs query optimization, concurrently running real video retrieval and controlled synthesis modules. It ultimately generates in-domain data packages with complete provenance and metadata, along with reproducible Notebooks. Unlike traditional static, one-time-built datasets, VDCook enables continuous updates and domain expansion through its automated data ingestion mechanism based on MCP (Model Context Protocol)\cite{mcp2024anthropic}, transforming datasets into dynamically evolving open ecosystems. The system also provides multi-dimensional metadata annotation (scene segmentation, motion scoring, OCR ratio, automatic captioning, etc.), laying the foundation for flexible subsequent data `cooking' and indexing\cite{vlogger}. This platform aims to significantly lower the barrier to constructing specialized video training datasets through infrastructure-level solutions, while supporting community contributions and a governance-enabled data expansion paradigm. \textbf{Project demo:} https://screenapp.io/app/v/WP0SvffgsH
Authors: Yanjun Chen, Yirong Sun, Hanlin Wang, Jinghan Wang, Xinming Zhang, Xiaoyu Shen, Wenjie Li, Wei Zhang
Abstract: Removing an agent from a cooperative team to measure its contribution seems natural, yet in multi-agent LLM systems this evaluation distorts the result it claims to measure. This failure is not isolated: learned critics, trajectory-level baselines, and agent-removal counterfactuals all inherit from standard multi-agent reinforcement learning a premise that exact counterfactual evaluation requires privileged environment access, and therefore approximate. In cooperative LLM systems, this premise is false. Interaction histories are deterministic functions of observable text with no hidden state, so any decision point can be restored exactly, making direct causal measurement possible without parametric approximation. C3 exploits this property by fixing the complete history at each decision point, sampling alternative actions under a frozen behavior policy, and computing unbiased per-decision advantages through a parameter-free leave-one-out baseline. Across six benchmarks spanning math reasoning and code generation, two model families, and two multi-agent topologies, C3 consistently outperforms all baselines; a controlled decomposition confirms gains originate from credit quality, not architecture, while checkpoint restoration reduces training token consumption. The exact solution proves simpler, cheaper, and more effective than all approximate alternatives. The same structural property that enables exact credit also enables exact verification: three independently computable diagnostics, credit fidelity, within-group variance, and inter-agent influence, constitute the first method-agnostic auditing tool for multi-agent LLM credit assignment. Our code is available at https://github.com/EIT-EAST-Lab/C3
Authors: Zifeng Huang, Konstantin M. Zuev, Yong Xia, Michael Beer
Abstract: Neural oscillators that originate from second-order ordinary differential equations (ODEs) have shown competitive performance in learning mappings between dynamic loads and responses of complex nonlinear structural systems. Despite this empirical success, theoretically quantifying the generalization capacities of their neural network architectures remains undeveloped. In this study, the neural oscillator consisting of a second-order ODE followed by a multilayer perceptron (MLP) is considered. Its upper probably approximately correct (PAC) generalization bound for approximating causal and uniformly continuous operators between continuous temporal function spaces and that for approximating the uniformly asymptotically incrementally stable second-order dynamical systems are derived by leveraging the Rademacher complexity framework. These bounds are further extended to the squared Wasserstein-1 distances between the probability measures of quantities of interest calculated from target causal operators and the corresponding learned neural oscillators. The theoretical results show that the estimation errors grow polynomially with respect to both MLP sizes and the time length, thereby avoiding the curse of parametric complexity. Furthermore, the derived error bounds demonstrate that constraining the Lipschitz constants of the MLPs via loss function regularization can improve the generalization ability of the neural oscillator. Numerical studies considering a Bouc-Wen nonlinear system under stochastic seismic excitation validates the theoretically predicted power laws of the estimation errors with respect to the sample size and time length, and confirms the effectiveness of constraining MLPs' matrix and vector norms in enhancing the performance of the neural oscillator under limited training data.
Authors: Leonardo Cesani, Matteo Papini, Marcello Restelli
Abstract: Recently, it has been shown that the Stochastic Gradient Bandit (SGB) algorithm converges to a globally optimal policy with a constant learning rate. However, these guarantees rely on unrealistic assumptions about the learning process, namely that the probability of the optimal action is always bounded away from zero. We attribute this to the lack of an explicit exploration mechanism in SGB. To address these limitations, we propose to regularize the SGB objective with a log-barrier on the parametric policy, structurally enforcing a minimal amount of exploration. We prove that Log-Barrier Stochastic Gradient Bandit (LB-SGB) matches the sample complexity of SGB, but also converges (at a slower rate) without any assumptions on the learning process. We also show a connection between the log-barrier regularization and Natural Policy Gradient, as both exploit the geometry of the policy space by controlling the Fisher information. We validate our theoretical findings through numerical simulations, showing the benefits of the log-barrier regularization.
Authors: Anish Saha, Konstantin Shmakov
Abstract: In-context learning (ICL) enables task adaptation at inference time by conditioning on demonstrations rather than updating model parameters. Although recent time-series foundation models incorporate contextual conditioning, retrieval, or example-based prompting, they typically rely on implicit positional structure or task-specific objectives rather than explicit instruction-conditioned input-output demonstrations. We introduce iAmTime, a time-series foundation model trained with instruction-conditioned amortized meta-learning to infer tasks directly from example demonstrations. iAmTime represents each episode as a structured prompt over historical context and future-known variables using specialized semantic tokens that attend to designated time-series regions, exchange information across demonstrations, and inject task information into the query representation. The model combines a Hierarchical Multi-Scope Transformer Encoder, which captures temporal and covariate dynamics while inferring latent task structure from demonstrated input-output mappings, with a Task-Conditioned Patch Decoder, which adapts decoding through expert-based routing. We train iAmTime on large-scale real and synthetic corpora using supervised and self-supervised instruction-conditioned tasks, including forecasting, imputation, reconstruction, classification, anomaly detection, and source de-mixing. Across diverse domains, frequencies, and horizons, iAmTime improves zero-shot adaptation over strong time-series foundation baselines on probabilistic and point forecasting benchmarks, while achieving competitive performance on non-forecasting tasks such as classification.
Authors: Edoardo Cetin, Stefano Peluchetti, Emilio Castillo, Akira Naruse, Mana Murakami, Llion Jones
Abstract: Scaling autoregressive large language models (LLMs) has driven unprecedented progress but comes with vast computational costs. In this work, we tackle these costs by leveraging unstructured sparsity within an LLM's feedforward layers, the components accounting for most of the model parameters and execution FLOPs. To achieve this, we introduce a new sparse packing format and a set of CUDA kernels designed to seamlessly integrate with the optimized execution pipelines of modern GPUs, enabling efficient sparse computation during LLM inference and training. To substantiate our gains, we provide a quantitative study of LLM sparsity, demonstrating that simple L1 regularization can induce over 99% sparsity with negligible impact on downstream performance. When paired with our kernels, we show that these sparsity levels translate into substantial throughput, energy efficiency, and memory usage benefits that increase with model scale. We will release all code and kernels under an open-source license to promote adoption and accelerate research toward establishing sparsity as a practical axis for improving the efficiency and scalability of modern foundation models.
Authors: Simon Kuang, Yuezhu Xu, S. Sivaranjani, Xinfan Lin
Abstract: The global Lipschitz constant of a neural network is related to robustness and generalization, yet unlike in many classical models, it is not plainly legible from the parameters. This has motivated sophisticated verification algorithms, especially semidefinite programming (SDP) based on incremental quadratic constraints on the activation functions, to improve on the fast but often loose product of layerwise Lipschitz constants (the trivial bound). We ask why Lipschitz verification is a problem in the first place. Our answer is that the difficulty is structural: estimating a network's Lipschitz constant requires knowing which hidden states are reachable, and reachability is NP-hard. If P!=NP, then reachability is a barrier to any polynomial-time algorithm. Through explicit constructions, we show that this blindness can force SDP-based bounds to inherit the same qualitative failures as the trivial bound, including but not limited to polynomial per-layer conservatism. We show that the difficulties of NP-hard questions are not isolated to worst-case computational reductions, but actually afflict every instance of the verification problem. Thus SDP is not sufficient for Lipschitz verification. We also argue that it is not necessary: several apparent failures of the trivial bound arise from removable parameterization pathologies, and can be mitigated by optimizing or regularizing the trivial bound itself. We demonstrate this claim via a "spherical cow" linear model and numerical proofs of concept. While the main contribution is theoretical and negative, we finally motivate a novel form of trigonometric layers that do not need biases for universal approximation. Combined with trivial bound regularization, they make the trivial bound provably and practically tight.
Authors: Zhuolong Li, Boxue Yang, Haopeng Chen
Abstract: Spectral graph contrastive learning often constructs low- and high-frequency views to capture complementary graph signals, but these views are commonly combined by graph-level or node-agnostic fusion rules. We show that graph-level fusion can incur irreducible regret on mixed graphs with separated node-wise spectral preferences. Motivated by this result, we propose ASPECT, a spectral graph contrastive learning method that adaptively fuses low- and high-frequency views at the node level. ASPECT learns a node-wise spectral policy and regularizes it using channel-wise contrastive evidence, enabling different nodes to use different spectral mixtures. We further introduce ASPECT-S, an optional stability-aware extension that uses generated graph-structure and feature perturbations to obtain empirical channel-wise sensitivity estimates, together with a Rayleigh-based spectral search bias for producing informative perturbations. Experiments on homophilic and heterophilic benchmarks show that ASPECT improves representation quality over competitive spectral and graph contrastive baselines, while ASPECT-S further improves performance under joint graph-structure and feature perturbations.
Authors: Seonggon Kim, Alireza Khodamoradi, Pranathi Vasireddy, Kristof Denolf, Eunhyeok Park
Abstract: Hadamard transforms have become a key tool for stabilizing low-precision training, but existing methods apply them uniformly across tensors and computation paths. We show that this one-size-fits-all strategy is inherently limited: Hadamard smoothing reduces quantization error only when its direction is properly aligned with the operand's outlier structure. Through a systematic study of weights, activations, and gradients in LLM training, we identify three stable outlier patterns, Row-wise, Column-wise, and None, and show that each outlier pattern pair in matrix multiplication requires a distinct transform or outlier-handling strategy. We propose AdaHOP, Adaptive Hadamard transform with Outlier-Pattern-aware strategy, which applies Inner Hadamard Transform (IHT) when inner-dimension mixing properly suppresses the operands' outliers, and selectively applies Outlier Extraction (OE) that extracts dominant outlier rows or columns into a high-precision path when it does not. With fused, hardware-aware Triton kernels, AdaHOP enables training from scratch at MXFP4 precision with BF16-level quality, while achieving up to 3.6X memory compression, 1.46X end-to-end training speedup over BF16.
Authors: Leonard T. Franz, Sebastian Hoffmann, Tim Weiland, Bernhard Sch\"olkopf, Georg Martius
Abstract: Drifting models have recently gained attention for generating high-quality samples in a single forward pass. During training, they learn a push-forward map by following a vector-valued field, the drift field. We ask whether this procedure is equivalent to optimizing a scalar loss and find that, in general, it is not: drift fields are not conservative and cannot be written as the gradient of any scalar potential. We identify the position-dependent normalization as the source of non-conservatism, with the Gaussian kernel as the unique radial exception. Guided by this, we introduce the sharp kernel $k^\#$ and a sharp-normalized drift field that is conservative for general radial kernels. The resulting vector field is the gradient of a scalar potential that can be optimized directly using stochastic gradient descent. Moreover, the field has the form of a score difference of kernel density estimates, and gives exact equilibrium identifiability. Thus, sharp normalization closes the gap to related literature, such as Wasserstein gradient-flows and denoising score matching, also for non-Gaussian kernels. Empirically, sharp normalization preserves the performance of the original drifting objective, suggesting that the non-conservative flexibility is not required for high-quality generation.
Authors: Guo Gan, Yuxuan Ding, Cong Chen, Yuwei Ren, Yin Huang, Hong Zhou
Abstract: Online reinforcement learning (RL) serves as an effective method for enhancing the capabilities of Android agents. However, guiding agents to learn through online interaction is prohibitively expensive due to the high latency of emulators and the sample inefficiency of existing RL algorithms. We identify a fundamental limitation in current approaches: the Single State Single Action paradigm, which updates the policy with one-to-one state-action pairs from online one-way rollouts without fully exploring each costly emulator state. In this paper, we propose Android Coach, a novel framework that shifts the training paradigm to Single State Multiple Actions, allowing the agent to sample and utilize multiple actions for a single online state. We enable this without additional emulator overhead by learning a critic that estimates action values. To ensure the critic serves as a reliable coach, we integrate a process reward model and introduce a group-wise advantage estimator based on the averaged critic outputs. Extensive experiments demonstrate the effectiveness and efficiency of Android Coach: it achieves 7.5% and 8.3% success rate improvements on AndroidLab and AndroidWorld over UI-TARS-1.5-7B, and attains 1.4x higher training efficiency than Single State Single Action methods PPO and GRPO at matched success rates.
Authors: Andrey Bocharnikov, Ivan Ermakov, Denis Kuznedelev, Vyacheslav Zhdanovskiy, Yegor Yershov
Abstract: With the growing demand for long-context LLMs across a wide range of applications, the key-value (KV) cache has become a critical bottleneck for both latency and memory usage. Recently, KV-cache offloading has emerged as a promising approach to reduce memory footprint and inference latency while preserving accuracy. Prior evaluations have largely focused on tasks that do not require extracting large amounts of information from the context. In this work, we study KV-cache offloading on context-intensive tasks: problems where the solution requires looking up a lot of information from the input prompt. We create and release the Text2JSON benchmark, a highly context-intensive task that requires extracting structured knowledge from raw text. We evaluate modern KV offloading on Text2JSON and other context-intensive tasks and find significant performance degradation on both Llama 3 and Qwen 3 models. Our analysis identifies two key reasons for poor accuracy: low-rank projection of keys and unreliable landmarks, and proposes a simpler alternative strategy that significantly improves accuracy across multiple LLM families and benchmarks. These findings highlight the need for a comprehensive and rigorous evaluation of long-context compression techniques.
Authors: Thomas Walker, Ahmed Imtiaz Humayun, Randall Balestriero, Richard Baraniuk
Abstract: The Linear Representation Hypothesis (LRH) identifies features of a trained deep network (DN) as linear directions in the activation spaces, i.e., output spaces of intermediate layers. This characterization decouples the input-output maps learned by a DN from the organization of feature directions in its activation spaces. We introduce the Linear Centroids Hypothesis (LCH), which instead identifies features with linear directions among a DN's centroid spaces -- where any vector denotes a centroid or summary of a local affine expert characterizing the learned input-output maps of the DN exactly (e.g., for piecewise-affine DNs) or approximately (e.g., for smooth DNs like transformers). We show that replacing intermediate activations with centroids yields a functional drop-in alternative for standard interpretability tools. Empirically, this change yields sparser, more downstream-useful feature dictionaries on DINO ViTs, suppresses spurious directions on a controlled task, recovers interpretable circuits in GPT2-Large, and produces faithful gradient-based saliency maps. LCH unifies dictionaries, probing, circuits, and saliency maps into a single geometric object grounded in the network's input-output map -- making interpretability mechanistic by construction rather than post hoc. Code to study the LCH https://github.com/ThomasWalker1/LinearCentroidsHypothesis .
URLs: https://github.com/ThomasWalker1/LinearCentroidsHypothesis
Authors: Zhuoyue Huang, Freddie Bickford Smith, Tom Rainforth
Abstract: The central goal of active learning is to gather data that maximises downstream predictive performance, but popular approaches have limited flexibility in customising this data acquisition to different downstream problems and losses. We propose a rigorous loss-driven approach to Bayesian active learning that allows data acquisition to directly target the loss associated with a given decision problem. In particular, we show how any loss can be used to derive a unique objective for optimal data acquisition. Critically, we then show that any loss taking the form of a weighted Bregman divergence permits analytic computation of a central component of its corresponding objective, making the approach applicable in practice. In regression and classification experiments with a range of different losses, we find our approach reduces test losses relative to existing techniques.
Authors: Yecheng Wu, Song Han, Hai Cai
Abstract: On-policy distillation (OPD) is an effective post-training paradigm for large language models but requires a live teacher server throughout training, resulting in substantial infrastructure overhead. We investigate whether OPD can be performed offline by precomputing teacher log-probabilities once over SFT rollouts and reusing them during training. We find that naively doing so fails to reliably match standard OPD, and trace the root cause to a previously overlooked condition we term teacher consistency, requiring that the same teacher be used for both supervised fine-tuning and OPD. Violating this condition introduces a gradient bias that degrades performance for both offline and online OPD. Building on this insight, we propose Lightning OPD, an offline on-policy distillation framework that enforces teacher consistency and eliminates the need for a live teacher server entirely. We prove that, under teacher consistency, Lightning OPD shares the same optimum as standard OPD, with bounded gradient discrepancy and an implicit regularization effect that helps prevent policy drift. Experiments on math reasoning and code generation show that Lightning OPD achieves comparable performance to standard OPD while delivering 4.0x higher training efficiency. Starting from an SFT-initialized Qwen3-8B-Base model, Lightning OPD reaches 69.9% on AIME 2024 in just 30 GPU hours. Lightning OPD further scales to MoE architectures, training Qwen3-30B-A3B to 71.0% on AIME 2024 on a single 8xH100 node, substantially lowering the barrier for academic research on LLM post-training. Our code is released at https://github.com/jet-ai-projects/Lightning-OPD.
Authors: Jingyuan Li, Xiaoyi Jiang, Fukang Wen, Wei Liu, Renqian Luo, Yi Zhu, Zuoqiang Shi, Pipi Hu
Abstract: Discrete diffusion models based on continuous-time Markov chains (CTMCs) have shown strong performance on language and discrete data generation, yet existing approaches typically parameterize the reverse rate matrix monolithically -- through proxies such as concrete scores (SEDD) or clean-data predictions (MDLM, GIDD) -- rather than aligning the parameterization with the intrinsic CTMC decomposition into jump timing and jump direction. We propose \textbf{Neural CTMC}, which exploits the underlying Poisson structure of CTMC dynamics by separately parameterizing the reverse process through an \emph{exit rate} (when to jump) and a \emph{jump distribution} (where to jump) via two dedicated network heads. We show that the evidence lower bound (ELBO) reduces to a path-space KL divergence between the true and learned reverse processes that factorizes into a Poisson KL for timing and a categorical KL for direction, and admits a tractable, gradient-equivalent and consistent loss. Experimentally, scored by Gemma2-9B, our pure-uniform Neural CTMC achieves $16.36$ generative perplexity on TinyStories (vs.\ GIDD $37.60$ and MDLM $42.66$). On OpenWebText, it attains the best perplexity at the same training-token budget across 16--128 sampling steps among the methods we compare (e.g., at 128 steps: Neural CTMC $183.6$ vs.\ MDLM $210.5$ and GIDD $249.8$). To facilitate reproducibility, we release our pretrained weights at https://huggingface.co/Jiangxy1117/Neural-CTMC.
Authors: Fangyuan Liu, Sirui Zhao, Zeyu Zhang, Jinyang Huang, Feng-Qi Cui, Bin Luo, Meng Li, Tong Xu, Enhong Chen
Abstract: Automated multimodal depression estimation in unconstrained environments is inherently challenged by naturalistic noise and complex behavioral variability. Prevailing deterministic methods, however, produce uncalibrated point estimates without quantifying predictive uncertainty, exposing decision-making to the risk of overconfident, untrustworthy estimates. To establish a reliable and trustworthy estimation paradigm, we propose EviDep, an evidential learning framework that jointly quantifies depression severity alongside aleatoric and epistemic uncertainties via a Normal-Inverse-Gamma distribution. To ensure the integrity of the extracted behavioral evidence and prevent artificial confidence inflation during multimodal fusion, EviDep introduces two tailored mechanisms. First, addressing the temporal-frequency heterogeneity of behavioral cues, a Frequency-aware Feature Extraction module leverages a wavelet-based Mixture-of-Experts to dynamically decouple stable macro-level affective baselines from transient micro-level behavioral bursts, effectively filtering out task-irrelevant artifacts. Second, a Disentangled Evidential Learning strategy enforces explicit decorrelation of features in these purified representations. By separating the cross-modal shared consensus from modality-specific behavioral nuances before Bayesian fusion, this rigorous disentanglement strictly prevents the model from double-counting overlapping information. Extensive experiments on the AVEC 2013, AVEC 2014, DAIC-WOZ, and E-DAIC datasets confirm that EviDep achieves state-of-the-art predictive accuracy and superior uncertainty calibration, thereby delivering a trustworthy, risk-aware decision-support tool for depression estimation.
Authors: Burak Karabulut, Carlo Manna, Chris Develder
Abstract: Fault location in distribution grids is critical for reliability and minimizing outage durations. Yet, it remains challenging due to partial observability, given sparse measurement infrastructure. Recent works show promising results by combining Recurrent Neural Networks (RNNs) and Graph Neural Networks (GNNs) for spatio-temporal learning. Still, many modern GNN architectures remain untested for this grid application, while existing GNN solutions have not explored GNN topology definitions beyond simply adopting the full grid topology to construct the GNN graph. We address these gaps by (i) systematically comparing a newly proposed graph-forming strategy (measured-only) to the traditional full-topology approach, and (ii) introducing STGNN (Spatio-temporal GNN) models based on GraphSAGE and an improved Graph Attention (GATv2), for distribution grid fault location; (iii) benchmarking them against state-of-the-art STGNN and RNN baselines on the IEEE 123-bus feeder. In our experiments, all evaluated STGNN variants achieve high performance and consistently outperform a pure RNN baseline, with improvements up to 11 percentage points F1. Among STGNN models, the newly explored RGATv2 and RGSAGE achieve only marginally higher F1 scores. Still, STGNNs demonstrate superior stability, with tight confidence intervals (within +/- 1.4%) compared to the RNN baseline (up to +/- 7.5%) across different experiment runs. Finally, our proposed reduced GNN topology (measured-only) shows clear benefits in both (i) model training time (6-fold reduction) and (ii) model performance (up to 11 points F1). This suggests that measured-only graphs offer a more practical, efficient, and robust framework for partially observable distribution grids.
Authors: Eike S. Eberhard, Viktor Kotsev, Timm G\"uthle, Stephan G\"unnemann
Abstract: The cost of Kohn-Sham density functional theory (KS-DFT) calculations scales with the number of solver iterations, which depends on the quality of the initial guess. Machine learning methods that predict initial guesses from molecular geometry can reduce this cost, but matrix-prediction models fail when extrapolating to larger molecules, degrading rather than accelerating convergence [Liu et al., 2025]. We show that this failure is a supervision problem, not an extrapolation problem: models trained on ground-state targets fit those targets well out of distribution, yet produce initial guesses that slow convergence. Solver-Aligned Initialization Learning (SAIL) resolves this for both Hamiltonian and density matrix models by differentiating through the self-consistent field (SCF) solver end-to-end. We introduce the Effective Relative Iteration Count (ERIC), a correction to the commonly used RIC that accounts for hidden Fock-build overhead. On QM40, which contains molecules up to 4$\times$ larger than the training distribution, SAIL reduces ERIC by 37\% (PBE), 33\% (SCAN), and 28\% (B3LYP), more than doubling the previous state-of-the-art reduction on B3LYP. On QMugs molecules 10$\times$ larger than the training set, SAIL delivers a 1.35$\times$ wall-time speedup at the hybrid level of theory, extending ML SCF acceleration to large drug-like molecules.
Authors: Kusha Sareen, Mohammad Pedramfar, S\'ekou-Oumar Kaba, Mehran Shakerinava, Siamak Ravanbakhsh
Abstract: Overparameterization is central to the success of deep learning, yet the mechanisms by which it improves optimization remain incompletely understood. We analyze weight-space symmetries in neural networks and show that overparameterization introduces additional symmetries that benefit optimization in two distinct ways. First, we prove that these symmetries act as a form of diagonal preconditioning on the Hessian, enabling the existence of better-conditioned minima within each equivalence class of functionally identical solutions. Second, we show that overparameterization increases the probability mass of global minima near typical initializations, making these favourable solutions more reachable. These results offer a potential link between loss landscape geometry and simplicity bias. Empirically, we observe wider networks have lower top eigenvalues, smaller condition numbers and faster convergence, matching our analysis. Our analysis provides a unified framework for understanding overparameterization and width growth as a geometric transformation of the loss landscape.
Authors: Zihan Lin, Xiaohan Wang, Jie Cao, Jiajun Chai, Li Wang, Xiaodong Lu, Wei Lin, Ran He, Guojun Yin
Abstract: Reinforcement Learning with Verifiable Rewards (RLVR) enhances reasoning of Large Language Models (LLMs) but usually exhibits limited generation diversity due to the over-incentivization of positive rewards. Although methods like Negative Sample Reinforcement (NSR) mitigate this issue by upweighting penalty from negative samples, they may suppress the semantic distributions shared between positive and negative responses. To boost reasoning ability without losing diversity, this paper proposes negative sample projection Residual Reinforcement Learning (ResRL) that decouples similar semantic distributions among positive and negative responses. We theoretically link Lazy Likelihood Displacement (LLD) to negative-positive head-gradient interference and derive a single-forward proxy that upper-bounds representation alignment to guide conservative advantage reweighting. ResRL then projects negative-token hidden representations onto an SVD-based low-rank positive subspace and uses projection residuals to modulate negative gradients, improving reasoning while preserving diversity and outperforming strong baselines on average across twelve benchmarks spanning Mathematics, Code, Agent Tasks, and Function Calling. Notably, ResRL surpasses NSR on mathematical reasoning by 9.4\% in Avg@16 and 7.0\% in Pass@128. Code is available at https://github.com/1229095296/ResRL.git.
Authors: Mitchell A. Thornton
Abstract: The algebraic diversity framework generalizes temporal averaging over multiple observations to algebraic group action on a single observation for second-order statistical estimation. The central open problem in this framework is $\textit{group selection}$: given an $M$-dimensional observation with unknown covariance structure, find the finite group whose spectral decomposition best matches the covariance. Naive enumeration of all subgroups of the symmetric group $S_M$ requires exponential time in $M$. We prove that this combinatorial problem reduces to a generalized eigenvalue problem derived from the double commutator of the covariance matrix, yielding a polynomial-time algorithm with complexity $O(d^2M^2 + d^3)$, where $d$ is the dimension of a generator basis. The minimum eigenvector of the double-commutator matrix directly constructs the optimal group generator in closed form, with no iterative optimization. The reduction is exact: the double-commutator minimum eigenvalue is zero if and only if the optimal generator lies in the span of the basis, and its magnitude provides a certifiable optimality gap when it does not. This problem does not appear in the standard catalogs of computational complexity (Garey and Johnson, 1979) and represents a new class linking group theory, matrix analysis, and statistical estimation. We establish connections to independent component analysis (JADE), structured matrix nearness problems, and simultaneous matrix diagonalization, and we show that the double-commutator formulation is the unique approach that is simultaneously polynomial-time, closed-form, and certifiable. We extend the framework to non-Abelian symmetry recovery via a Sequential GEVP with deflation, and add two identifiability theorems characterizing the commutant-lattice ambiguity and the dichotomy on whether $\mathrm{Aut}(\mathbf{R})$ recovers a generative subgroup or only a supergroup.
Authors: Ruthwik Reddy Doodipala, Pankaj Pandey, Pratheek Eranki, Carolina Torres-Rojas, Manob Jyoti Saikia, Ranganatha Sitaram
Abstract: Self-supervised pretraining is promising for large-scale neuroimaging, yet the impact of region-aware masking and hybrid sequence modeling remains underexplored. In this work, we introduce Rhamba, a region-aware pretraining framework that integrates anatomically guided masking with hybrid Attention-Mamba architectures for resting state functional magnetic resonance imaging (fMRI) analysis. Models were pretrained on the ABIDE dataset using region-aligned patch embeddings and three masking strategies (Any, Majority, and Pure) with increasing spatial specificity. We evaluated four architectural variants: a Mamba only model, an Alternate architecture with interleaved Mamba and Attention blocks, and two hybrid encoder-decoder configurations (Attention-Mamba (AM) and Mamba-Attention (MA)). The pretrained models were fine-tuned on downstream classification tasks using the COBRE and ADHD-200 datasets for schizophrenia and attention-deficit/hyperactivity disorder discrimination. We employed Integrated Gradients, an explainable AI method, to identify the brain regions contributing to model predictions. Masking strategy strongly influenced reconstruction behavior, with reconstruction loss following a consistent ordering (Any > Majority > Pure). However, this trend did not directly translate into downstream performance, where differences were modest and dataset-dependent. The hybrid architecture with the MA configuration achieved the highest average AUROC across both datasets, and Rhamba outperformed state-of-the-art methods in comparative evaluation. Region-wise analysis showed that peak performance depends on the interaction between masking strategy and architecture rather than a single dominant configuration. Overall, Rhamba offers a flexible framework for balancing interpretability, scalability, and performance in large-scale fMRI representation learning.
Authors: Divit Rawal, Michael R. DeWeese
Abstract: In deep networks with small initialization, training exhibits long plateaus separated by sharp feature-acquisition transitions. Whereas shallow nonlinear networks and deep linear networks are well studied, extending these analyses to deep nonlinear networks remains challenging. We derive an exact identity for the imbalance of Frobenius norms of layer weight matrices that holds for any smooth activation and any differentiable loss and use this to classify activation functions into four universality classes. On the permutation-symmetric submanifold, the identity combines with an approximate balance law to reduce the full matrix flow to a scalar ODE, giving a critical-depth escape time law $\tau_\star = \Theta(\varepsilon^{-(r-2)})$ governed by the number $r$ of layers at the bottleneck scale rather than the total depth $L$. We find that this same $r-2$ exponent is recovered under He-normal initialization with $r$ bottleneck layers rescaled by $\varepsilon$, where the symmetry manifold is preserved by the flow but not attracting. We find close agreement between our theory and numerical simulations.
Authors: Xing Lei, Jincheng Wang, Xuetao Zhang, Donglin Wang
Abstract: Offline goal-conditioned RL (GCRL) learns goal-reaching policies from static datasets, but real-world datasets are often partially observable and history-dependent, exhibiting a mix of Markovian and non-Markovian that violate standard RL assumptions. History-aware sequence models such as Decision Transformer (DT) are a natural fit for long-term dependency modeling, yet pure attention is inefficient and brittle when handling local Markovian structure and long-range context simultaneously. Although recent hybrid architectures (e.g., LSDT) introduce local extractors to improve local dependencies modeling, the fixed-window extraction cannot adapt its effective memory to varying dependency lengths in temporally heterogeneous settings, often truncating long-range context rather than compressing its content adaptively. Moreover, sequential offline GCRL faces a key bottleneck: under sparse rewards, return-to-go (RTG) becomes non-discriminative across sub-trajectories, providing little guidance signal for stitching goal-reaching behaviors from diverse demonstrations. To address these, we propose \textbf{QHyer}, which replaces RTG with a flow-parameterized, state-conditioned goal-reaching Q-estimator to support stitching across demonstrations, and introduces a gated Hybrid Attention-Mamba backbone that performs content-adaptive history compression while preserving local dynamics. Extensive experiments demonstrate that \textbf{QHyer} achieves state-of-the-art performance on both non-Markovian and Markovian datasets, validating its effectiveness for diverse scenarios.
Authors: Abdullah Ahmad Khan, Ferdous Sohel
Abstract: Machine unlearning aims to remove specified training data to satisfy privacy regulations such as GDPR. However, existing evaluations assume identical precision at unlearning and deployment, overlooking that production LLMs are deployed at low-bit precision. We show that INT4 quantization systematically restores forgotten content even when models pass compliance audits at bfloat16 (BF16), we term this the quantization recovery attack (QRA). We conduct the first systematic study of unlearning robustness under adapter-space INT4 quantization in the NF4+LoRA regime, evaluating seven methods on LLaMA-3-8B-Instruct across TOFU, MUSE-News, and WikiBio-WPU. INT8 is benign; INT4 induces recovery of up to 22x, worsening with dataset difficulty. We identify the FA-RA-Q-INT4 trilemma: no method simultaneously achieves strong forgetting, high utility, and quantization robustness. A dense Pareto sweep reveals a sharp phase transition once robustness is achieved, retaining accuracy collapses regardless of further tuning. To address this, we propose DURABLEUN-SAF (Sharpness-Aware Forgetting), a quantization-aware objective using Straight-Through Estimator gradients through INT4 rounding. DURABLEUN-SAF is the only method to achieve a stable empirical (0.047, {BF16, INT8, INT4})- durability certificate: Q-INT4= 0.043 +- 0.002, cert rate= 3/3, versus SalUn's cert rate= 1/3 at its own published hyperparameters. We call for Q-INT4 to be adopted as a standard evaluation metric alongside FA and RA.
Authors: Yuxin Lu, Qian Qiao, 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: Ruiyang Qin, Qingzhuo Wang, Dongrui Liu, Qiang Li, Zhihua Wei, Wen Shen
Abstract: Large language models (LLMs) exhibit severe multilingual safety misalignment: they possess strong safeguards in high-resource languages but remain highly vulnerable to jailbreak attacks in low-resource languages. Current safety alignment methods generally rely on high-quality response data for each target language, which is expensive and difficult to generate. In this paper, we propose a cross-lingual safeguard transfer framework named Multilingual Self-Distillation (MSD). This framework transfers an LLM's inherent safety capabilities from high-resource (e.g., English) to low-resource (e.g., Javanese) languages, overcoming the need for response data in any language. Our framework is flexible and can be integrated with different self-distillation strategies. Specifically, we implement two concrete methods -- on-policy MSD and off-policy MSD -- both of which enable effective cross-lingual safety transfer using only multilingual queries. Furthermore, we propose Dual-Perspective Safety Weighting (DPSW), a divergence measure to optimize the distillation objective. By jointly considering the perspectives of both the teacher and the student, DPSW adaptively increases the penalty weights on safety-critical tokens while reducing the weights on non-critical tokens. Extensive experiments on representative LLMs across diverse multilingual jailbreak and utility benchmarks demonstrate that our method consistently achieves superior multilingual safety performance. Notably, it generalizes effectively to more challenging datasets and unseen languages while preserving the model's general capabilities.
Authors: Hongbo Jin, Rongpeng Zhu, Zhongjing Du, Xu Jiang, Jingqi Tian, Qiaoman Zhang, Jiayu Ding
Abstract: Reinforcement learning is crucial for aligning large language models to perform complex reasoning tasks. However, current algorithms such as Group Relative Policy Optimization suffer from coarse grained, sequence level credit assignment, which severely struggles to isolate pivotal reasoning steps within long Chain of Thought generations. Furthermore, the standard unbounded Kullback Leibler divergence penalty induces severe gradient instability and mode seeking conservatism, ultimately stifling the discovery of novel reasoning trajectories. To overcome these limitations, we introduce Distribution Guided Policy Optimization, a novel critic free reinforcement learning framework that reinterprets distribution deviation as a guiding signal rather than a rigid penalty. DGPO replaces the volatile KL divergence with the bounded Hellinger distance to safely quantify token level exploration without the risk of gradient explosion. To effectively distinguish genuine reasoning breakthroughs from hallucinatory noise, we propose an entropy gating mechanism that scales this deviation by the policy`s epistemic uncertainty. By dynamically redistributing the coarse sequence-level advantage to individual tokens based on these gated scores, DGPO heavily incentivizes critical exploratory steps while suppressing unwarranted, low-entropy deviations. Consequently, DGPO completely eliminates the traditional token-level KL penalty and achieves fine-grained credit reallocation without the computational overhead of an additional value network. Extensive empirical evaluations demonstrate that DGPO sets a new state-of-the-art for critic free alignment. Notably, on the Qwen2.5-32B architecture, DGPO achieves 60.0% Avg@32 accuracy and 46.0% Avg@32 accuracy on the challenging AIME2024 and AIME2025 benchmarks respectively, substantially outperforming competitive baselines like DAPO.
Authors: Bruno Petrungaro, Anthony C. Constantinou
Abstract: Causal Bayesian Networks (CBNs) are a powerful tool for reasoning under uncertainty about complex real-world problems. Such problems evolve over time, responding to external shocks as they occur. To support decision-making, CBNs require a cause-and-effect map of the variables under consideration, known as the network's structure. Learning the graphical structure of a causal model from data remains challenging; learning it from time-series data is even harder because dependencies may arise at different time lags. Existing time-series causal discovery methods often assume a fixed lag window and do not explicitly optimise edge-specific lags. We propose a Tabu-based structure learning algorithm that searches for a time-ordered directed structure (i.e., where every edge respects time) while allowing edge-specific lags up to a specified maximum lag. The approach uses a decomposable BIC-based score with node-specific effective sample sizes and an explicit lag-length penalty encouraging parsimonious delay assignments while preserving efficient local score updates. We provide theoretical guarantees of validity and local optimality, and we also describe a parallel implementation for improved scalability. In simulations, the method recovered graph structure competitively and estimated lags accurately when true adjacencies were recovered. On a real-world UK COVID-19 policy dataset, the learnt structure was dominated by short delays while retaining a substantial minority of longer-lag dependencies, consistent with delayed behavioural and epidemiological effects.
Authors: Ayan Pendharkar
Abstract: Transformer self-attention can be interpreted as a gradient flow on the unit sphere, in which tokens evolve under softmax interaction potentials and tend to form clusters. While prior work has established clustering behavior for single-head attention, the multi-head setting remains less understood due to geometric interference between heads, which invalidates standard monotonicity arguments. In this work, we develop a theoretical framework for multi-head self-attention dynamics and resolve several open questions. We show that, under suitable conditions on the score matrices, a natural multi-head energy functional is non-decreasing along both flat and spherical dynamics. We identify the key obstruction to per-head monotonicity as radial shadow terms, which are projections of each head's output onto token directions, persisting even under orthogonality assumptions. We introduce a sufficient condition ensuring monotonicity and establish robustness to approximate orthogonality. In a simplified scalar-head regime with equiangular token configurations, we derive a closed-form expression for the critical inverse temperature governing clustering behavior, and show that heterogeneous heads exhibit super-additive clustering rates. In this regime, we also prove a separation in clustering time between ReLU and softmax attention in the linearized dynamics. Finally, we establish an entropy production identity and show that attention entropy increases monotonically toward equilibrium as clustering progresses. Our results provide a unified perspective on the dynamics of multi-head attention and clarify the mechanisms underlying clustering and stability in transformer models.
Authors: Kuangdai Leng, Simon Jeffery, Panos Panagos, Tarje Nissen-Meyer
Abstract: Understanding soil is fundamental to agriculture, carbon cycling, and environmental sustainability, yet progress is limited by fragmented and heterogeneous datasets that constrain modeling to small-scale predictive settings rather than high-dimensional representation learning. We introduce LUCAS-MEGA, a large-scale multimodal dataset constructed through systematic data fusion of European soil-environment observations, with the LUCAS survey as its backbone. The fused dataset comprises over 70,000 samples and more than 1,000 features spanning physical, chemical, environmental, biological, and visual attributes, aggregated from 68 source datasets. To enable integration at scale, we develop SoilFuser, a multi-agent, human-in-the-loop data fusion pipeline that standardizes heterogeneous data formats and measurement protocols, resolves inconsistencies and invalid entries (e.g., unit inconsistencies, codebook mismatches, and erroneous values), incorporates natural language annotations, and harmonizes multimodal attributes and metadata into a unified, machine learning-ready feature space. The resulting dataset captures key characteristics of real-world soil observations, including multimodality, uneven feature coverage, and heterogeneous uncertainty. To demonstrate the usability of LUCAS-MEGA for data-driven modeling, we pretrain a multimodal tabular transformer (SoilFormer) using a self-supervised objective based on feature masking, achieving stable training, strong predictive performance, and representations that support uncertainty-aware prediction. We further show that the learned representations recover relationships consistent with established soil processes. LUCAS-MEGA is released with open access and is accompanied by composable, agent-friendly APIs that support structured querying and data-driven workflows.
Authors: Fatima Ashraf, Muhammad Ayub Sabir, Junbiao Pang, Yufang Zhou, Yan Shang
Abstract: Transportation surveys are widely used to understand travel preferences and adoption barriers, yet most survey-based analyses remain descriptive or predictive and rarely provide sparse, policy-feasible intervention strategies. We study sparse counterfactual community intervention from survey responses, where the goal is to shift a target respondent group toward a desired reference group through controllable survey-variable adjustments. We formulate this task as a policy-feasible distributional alignment problem using a fixed-basis nonnegative latent representation that preserves pre/post comparability and provides a stable map from latent factors to original variables. To make latent movement actionable, target-relevant latent factors are identified through Shapley-guided attribution and transferred to controllable variables as intervention priorities. Feasible group-level adjustments are then learned by minimizing an entropy-regularized optimal-transport discrepancy between the post-intervention target distribution and the reference distribution, together with a weighted $\ell_{2,1}$ penalty that promotes shared policy-lever sparsity. Experiments on real-world transportation survey datasets show that the proposed framework produces compact and interpretable policy-feasible interventions with explicit adjustment magnitudes, improves population-level conversion, and preserves intervention sparsity. Code and datasets are publicly available at: https://github.com/pangjunbiao/latent-group-alignment.git
URLs: https://github.com/pangjunbiao/latent-group-alignment.git
Authors: Guangsheng Bao, Hongbo Zhang, Han Cui, Ke Sun, Yanbin Zhao, Juncai He, Yue Zhang
Abstract: Adapting pretrained models typically involves a trade-off between the high training costs of backpropagation and the heavy inference overhead of memory-based or in-context learning. We propose FAAST, a forward-only associative adaptation method that analytically compiles labeled examples into fast weights in a single pass. By eliminating memory or context dependence, FAAST achieves constant-time inference and decouples task adaptation from pretrained representation. Across image classification and language modeling benchmarks, FAAST matches or exceeds backprop-based adaptation while reducing adaptation time by over 90% and is competitive to memory/context-based adaptation while saving memory usage by up to 95%. These results demonstrate FAAST as a highly efficient, scalable solution for supervised task adaptation, particularly for resource-constrained models. We release the code and models at https://github.com/baoguangsheng/faast.
Authors: Lirui Luo, Guoxi Zhang, Hongming Xu, Cong Fang, Qing Li
Abstract: In deep reinforcement learning (DRL), an agent is trained from a stream of experience. In a continual learning setting, such agents can suffer from plasticity loss: their ability to learn new skills from new experiences diminishes over training. Recently, Mixture-of-Experts (MoE) networks have been reported to enable scaling laws and facilitate the learning of diverse skills. However, in continual reinforcement learning settings, their performance can degenerate as learning proceeds, indicating a loss of plasticity. To address this, building on Neural Tangent Kernel (NTK) theory, we formalize the plasticity loss in MoE policies as a loss of spectral plasticity. We then derive a tractable proxy for spectral plasticity, one expressible in terms of individual expert feature matrices. Leveraging this proxy, we introduce SPHERE, a practical Parseval penalty tailored for MoE-based policies that alleviates the loss of spectral plasticity. On MetaWorld and HumanoidBench, SPHERE improves average success under continual RL by 133% and 50% over an unregularized MoE baseline, while maintaining higher spectral plasticity throughout training.
Authors: Tianshu Zhu, Wenyu Zhang, Xiaoying Zuo, Lun Tian, Haotian Zhao, Yucheng Zeng, Jingnan Gu, Daxiang Dong, Jianmin Wu, Dawei Yin, Dou Shen
Abstract: Agentic reinforcement learning (RL) for software engineering spends much of its compute on stateful trajectories whose grouped binary rewards are highly skewed and weakly contrastive. We frame this as pass-rate control and show that the binary reward-side signal is strongest near a 50% rollout pass rate under four criteria: reward entropy, group-filtering survival, leave-one-out (RLOO) advantage energy under Group Relative Policy Optimization (GRPO), and success-failure pair count. We propose Prefix Sampling (PS), which replays self-generated trajectory prefixes to steer skewed groups toward this regime: successful prefixes give mostly failing groups a head start, while failing prefixes handicap mostly passing groups. Replayed states are reconstructed through the existing rollout path, and replayed tokens are masked from the loss so optimization applies only to current-policy continuations. On SWE-bench Verified, PS reaches the baseline high-score regime within evaluation variability while delivering 2.01x and 1.55x end-to-end wall-clock speedups on Qwen3-14B and Qwen3-32B; the 14B peak improves from 0.274 to 0.295. AIME 2025 experiments on 4B and 8B show the same pass-rate-control pattern, and 4B ablations attribute gains to replay, bidirectional coverage, and adaptive control.
Authors: Bo Li, Chuan Wu, shaolin Zhu
Abstract: Mixture-of-Experts Multimodal Large Language Models (MoE MLLMs) suffer from a significant efficiency bottleneck during Expert Parallelism (EP) inference due to the straggler effect. This issue is worsened in the multimodal context, as existing token-count-based load balancing methods fail to address two unique challenges: (1) Information Heterogeneity, where numerous redundant visual tokens are treated equally to semantically critical ones, and (2) Modality Dynamics, where varying visual to text ratios across tasks lead to resource misallocation. To address these challenges, we propose MACS (Modality-Aware Capacity Scaling), a training-free inference framework. Specifically, MACS introduces an Entropy-Weighted Load mechanism to quantify the semantic value of visual tokens, addressing information heterogeneity. Additionally, the Dynamic Modality-Adaptive Capacity mechanism allocates expert resources based on the real-time modal composition of the input. Extensive experiments demonstrate that MACS significantly outperforms existing methods on various multimodal benchmarks, providing a novel and robust solution for the efficient deployment of MoE MLLMs in EP inference.
Authors: Yuheng Lai, Garvesh Raskutti
Abstract: Conformal prediction is a framework that provides valid uncertainty quantification for general models with exchangeable data. However, in the online learning and time-series settings, exchangeability is not satisfied. Existing online conformal methods, such as adaptive conformal inference (ACI), can achieve long-run validity, yet they remain inefficient under covariate heterogeneity because they rely on global calibration. We propose \emph{Online Localized Conformal Prediction (OLCP)}, which combines online adaptation with covariate-dependent localization to better reflect heterogeneity. To reduce sensitivity to the localization bandwidth, we further develop \emph{OLCP-Hedge}, which performs bandwidth selection as an online expert aggregation problem using a constrained online convex optimization framework. Importantly, we provide coverage guarantees for both algorithms and demonstrate through simulations and real-data experiments that the proposed methods attain valid long-run coverage with narrower prediction sets than existing baselines.
Authors: Lei Jiang, Adrian Ildefonso, Daniel Loveless, Fan Chen
Abstract: Large language models (LLMs) impose rapidly growing energy demands, creating an emerging energy and carbon crisis driven by large-scale inference. Solar-powered, AI-enabled low Earth orbit (LEO) satellites have been proposed to mitigate terrestrial electricity consumption, but their lifecycle carbon footprint remains poorly understood due to launch emissions, satellite manufacturing, and radiation-hardened hardware requirements. This paper presents \textit{LLMSpace}, the first carbon modeling framework for LLM inference on AI-enabled LEO satellites. LLMSpace jointly models operational and embodied carbon, peripheral subsystems, radiation-hardened accelerators and memories, and LLM-specific workload characteristics such as prefill-decode behavior and token generation. Using realistic satellite and GPU configurations, LLMSpace reveals key trade-offs among carbon footprint, inference latency, hardware design, and operational lifetime for sustainable space-based LLM inference. Source code: https://github.com/UnchartedRLab/LLMSpace.
Authors: Md Anwar Hossen, Fatema Siddika, Juan Pablo Munoz, Tanya Roosta, Ali Jannesari
Abstract: Large language models (LLMs) can acquire new capabilities through fine-tuning, but continual adaptation often leads to catastrophic forgetting. We propose CRAFT, a continual learning framework that avoids updating model weights by instead learning low-rank interventions on hidden representations. CRAFT proceeds in three stages: it first routes each task to a group of similar tasks based on output-distribution divergence; it then fine-tunes the model using a Kullback-Leibler (KL) divergence against the group's prior state, which directly controls forgetting and determines convergence; finally, it merges interventions for the updated task into the shared representation using the same KL signal. This design unifies routing, regularization, and merging through a single KL-based objective. CRAFT improves overall performance and reduces forgetting compared to strong LoRA-based approaches across multiple benchmarks and model scales, while remaining robust to task ordering. These results suggest that controlling adaptation in representation space, guided by output-space divergence, provides a scalable and principled approach to continual learning in LLMs.
Authors: Elad Hoffer, Yochai Blau, Edan Kinderman, Ron Banner, Daniel Soudry, Boris Ginsburg
Abstract: Retrieval-augmented generation (RAG) typically treats retrieval and generation as separate systems. We ask whether an attention-based encoder-decoder can instead retrieve directly from its own internal representations. We introduce INTRA (INTrinsic Retrieval via Attention), a framework where decoder attention queries score pre-encoded evidence chunks that are then directly reused as context for generation. By construction, INTRA unifies retrieval and generation, eliminating the retriever-generator mismatch typical of RAG pipelines. This design also amortizes context encoding by reusing precomputed encoder states across queries. On question-answering benchmarks, INTRA outperforms strong engineered retrieval pipelines on both evidence recall and end-to-end answer quality. Our results demonstrate that attention-based models already possess a retrieval mechanism that can be elicited, rather than added as an external module.
Authors: Zixuan Chen, Hao Lin, Zizhe Chen, Yizhou Tian, Garry Yang, Depeng Wang, Ya Guo, Huijia Zhu, James Cheng
Abstract: LLMs reliably correct false claims when presented in isolation, yet when the same claims are embedded in task-oriented requests, they often comply rather than correct. We term this failure mode \emph{correction suppression} and construct a benchmark of 300 false premises to systematically evaluate it across eight models. Suppression rates range from 19\% to 90\%, with four models exceeding 80\%, establishing correction suppression as a prevalent and severe phenomenon. Mechanistic analysis reveals that suppression is not a knowledge failure: the model registers the error internally but task context diverts early-layer attention from the false claim as output intent crystallizes toward compliance at middle layers. We characterize this as \emph{knowing but not correcting} -- suppression occurs at response selection rather than knowledge encoding. Guided by this mechanism, we propose two training-free interventions. Correction Direction Steering (CDS) estimates a correction-compliance direction from matched pairs and injects it at middle layers before output intent crystallizes. Dynamic Payload Amplification (DPA) localizes payload tokens via attention divergence between early and late layers and amplifies their representation at the final layer, requiring no calibration data. Experiments on Qwen3.5-9B and LLaMA3.1-8B show both methods substantially improve factual strictness. CDS achieves the highest correction rate on Qwen3.5-9B (0\%$\to$58.2\%). DPA is the only method that preserves or improves reasoning capability on both models. These findings introduce \emph{factual strictness} -- the willingness to uphold accuracy against contextual pressures -- as a new dimension of model reliability.
Authors: Abdelghani Ghanem, Mounir Ghogho
Abstract: Integrating expressive generative policies, such as flow-matching models, into offline reinforcement learning (RL) allows agents to capture complex, multi-modal behaviors. While Q-learning with Adjoint Matching (QAM) stabilizes policy optimization via the continuous adjoint method, it remains inherently bound to the fixed behavior distribution. This dependence induces a \textit{popularity bias} that can suppress high-reward actions in low-density regions, and creates a \textit{support binding} that restricts off-manifold exploration. Existing workarounds, such as appending \textit{residual} Gaussian policies, often re-introduce the expressivity bottlenecks associated with unimodal distributions. In this work, we propose \textit{Maximum Entropy Adjoint Matching} (ME-AM), a unified framework that addresses these limitations within the continuous flow formulation. ME-AM incorporates two mechanisms: (1) a Mirror Descent entropy maximization objective that mitigates the popularity bias to facilitate the extraction of optimal policies from offline datasets, and (2) a \textit{Mixture Behavior Prior} that broadens the geometric support to encompass out-of-distribution high-reward regions. By exploring this extended geometry, ME-AM identifies robust actions while preserving the absolute continuity of the generative vector field. Empirically, ME-AM demonstrates competitive or superior performance compared to prior state-of-the-art (SOTA) methods across a diverse suite of sparse-reward continuous control environments.
Authors: Yi Wei, Xuan Qi, Furao shen, Jian Zhao, Vittorio Murino, Cigdem Beyan
Abstract: Piecewise affine neural networks (PANNs) provide a principled geometric perspective on neural network expressivity by characterizing the input--output map as a continuous piecewise affine (CPA) function whose complexity is governed by the number, arrangement, and shapes of its affine regions. However, existing interpretability and expressivity analyses often rely on indirect proxies (e.g., activation statistics or theoretical upper bounds) and rarely offer practical, accurate tools for enumerating and visualizing the induced region partition under realistic architectures and bounded input domains. In this work, we present AffineLens, a unified framework for computing the hyperplane arrangements and polyhedral structures underlying PANNs. Given a calibrated (bounded) input polytope, AffineLens identifies the subset of neuron-induced hyperplanes that intersect the domain, enumerates the resulting affine sub-regions in a layer-wise manner, and returns provably non-empty maximal CPA regions together with interior representatives. The framework further provides visualizations of region partitioning and decision boundaries, enabling qualitative inspection alongside quantitative region counts. By exploiting the affine restriction property of CPA networks under fixed activation patterns, AffineLens supports a broad class of modern components, including batch normalization, pooling, residual connections, multilayer perceptrons, and convolutional layers. Finally, we use AffineLens to perform a systematic empirical study of architectural expressivity, comparing networks through region complexity metrics and revealing how design choices influence the geometry of learned functions.
Authors: Alessandro Ronca
Abstract: We show that the MinMax algebra provides a form of recurrence that is expressively powerful, efficiently implementable, and most importantly it is not affected by vanishing or exploding gradient. We call MinMax Recurrent Neural Cascades (RNCs) the models obtained by cascading several layers of neurons that employ such recurrence. We show that MinMax RNCs enjoy many favourable theoretical properties. First, their formal expressivity includes all regular languages, arguably the maximal expressivity for a finite-memory system. Second, they can be evaluated in parallel with a runtime that is logarithmic in the input length given enough processors; and they can also be evaluated sequentially. Third, their state and activations are bounded uniformly for all input lengths. Fourth, at almost all points, their loss gradient exists and it is bounded. Fifth, they do not exhibit a vanishing state gradient: the gradient of a state w.r.t. a past state can have constant value one regardless of the time distance between the two states. Finally, we find empirical evidence that the favourable theoretical properties of MinMax RNCs are matched by their practical capabilities: they are able to perfectly solve a number of synthetic tasks, showing superior performance compared to the considered state-of-the-art recurrent neural networks; also, we train a MinMax RNC of 127M parameters on next-token prediction, and the obtained model shows competitive performance for its size, providing evidence of the potential of MinMax RNCs on real-world tasks.
Authors: Nan Jia, Haojin Yang, Xing Ma, Jiesong Lian, Shuailiang Zhang, Weipeng Zhang, Ke Zeng, Xunliang Cai, Zequn Sun
Abstract: On-policy distillation (OPD) trains a student on its own trajectories with token-level teacher feedback and often outperforms off-policy distillation and standard reinforcement learning. However, we find that its standard advantage weighted policy gradient suffers from three structural weaknesses, including high variance updates, vanishing gradients in zero-advantage regions, and exploration bottlenecks when corrective signals are insufficient. We therefore propose Asymmetric On-Policy Distillation (AOPD), which replaces ineffective negative reinforcement with localized divergence minimization in non-positive advantage regions while preserving positive reinforcement learning. Experiments on mathematical reasoning benchmarks show that AOPD consistently outperforms standard OPD, with average gains of 4.09 / 8.34 under strong / weak initialization, respectively. AOPD also maintains higher policy entropy during training and better capability retention during sequential tool-use adaptation.
Authors: Xiang Li, Nan Jiang
Abstract: We present a novel theoretical framework, Q-MMR, for off-policy evaluation in finite-horizon MDPs. Q-MMR learns a set of scalar weights, one for each data point, such that the reweighted rewards approximate the expected return under the target policy. The weights are learned inductively in a top-down manner via a moment matching objective against a value-function discriminator class. Notably, and perhaps surprisingly, a data-dependent finite-sample guarantee for general function approximation can be established under only the realizability of $Q^\pi$, with a dimension-free bound -- that is, the error does not depend on the statistical complexity of the function class. We also establish connections to several existing methods, such as importance sampling and linear FQE. Further theoretical analyses shed new light on the nature of coverage, a concept of fundamental importance to offline RL.
Authors: Jakub St\k{e}pie\'n, Marcin Mazur, Jacek Tabor, Przemys{\l}aw Spurek
Abstract: Sparse Autoencoders (SAEs) have become an important tool in mechanistic interpretability, helping to analyze internal representations in both Large Language Models (LLMs) and Vision Transformers (ViTs). By decomposing polysemantic activations into sparse sets of monosemantic features, SAEs aim to translate neural network computations into human-understandable concepts. However, common architectures such as TopK SAEs rely on a fixed sparsity level. They enforce the same number of active features (K) across all inputs, ignoring the varying complexity of real-world data. Natural data often lies on manifolds with varying local intrinsic dimensionality, meaning the number of relevant factors can change significantly across samples. This suggests that a fixed sparsity level is not optimal. Simple inputs may require only a few features, while more complex ones need more expressive representations. Using a constant K can therefore introduce noise in simple cases or miss important structure in more complex ones. To address this issue, we propose SoftSAE, a sparse autoencoder with a Dynamic Top-K selection mechanism. Our method uses a differentiable Soft Top-K operator to learn an input-dependent sparsity level k. This allows the model to adjust the number of active features based on the complexity of each input. As a result, the representation better matches the structure of the data, and the explanation length reflects the amount of information in the input. Experimental results confirm that SoftSAE not only finds meaningful features, but also selects the right number of features for each concept. The source code is available at: https://github.com/St0pien/SoftSAE.
Authors: Ainesh Bakshi, Allen Liu, Ankur Moitra, Ewin Tang
Abstract: We study the problem of learning a local quantum Hamiltonian $H$ given copies of its Gibbs state $\rho = e^{-\beta H}/\textrm{tr}(e^{-\beta H})$ at a known inverse temperature $\beta>0$. Anshu, Arunachalam, Kuwahara, and Soleimanifar (arXiv:2004.07266) gave an algorithm to learn a Hamiltonian on $n$ qubits to precision $\epsilon$ with only polynomially many copies of the Gibbs state, but which takes exponential time. Obtaining a computationally efficient algorithm has been a major open problem [Alhambra'22 (arXiv:2204.08349)], [Anshu, Arunachalam'22 (arXiv:2204.08349)], with prior work only resolving this in the limited cases of high temperature [Haah, Kothari, Tang'21 (arXiv:2108.04842)] or commuting terms [Anshu, Arunachalam, Kuwahara, Soleimanifar'21]. We fully resolve this problem, giving a polynomial time algorithm for learning $H$ to precision $\epsilon$ from polynomially many copies of the Gibbs state at any constant $\beta > 0$. Our main technical contribution is a new flat polynomial approximation to the exponential function, and a translation between multi-variate scalar polynomials and nested commutators. This enables us to formulate Hamiltonian learning as a polynomial system. We then show that solving a low-degree sum-of-squares relaxation of this polynomial system suffices to accurately learn the Hamiltonian.
Authors: Rachel Freedman, Justin Svegliato, Kyle Wray, Stuart Russell
Abstract: Reward learning techniques enable machine learning systems to learn objectives from human feedback. A core limitation of these systems is their assumption that all feedback comes from a single human teacher, despite gathering feedback from large and heterogeneous populations. We propose the Hidden Utility Bandit (HUB) framework to model differences in teacher rationality, expertise, and costliness, formalizing the problem of learning from multiple teachers. We develop a variety of solution algorithms and apply them to two real-world domains: paper recommendation systems and COVID-19 vaccine testing. We find that Active Teacher Selection (ATS) algorithms outperform baselines by actively selecting when and which teacher to query. Our key contributions are 1) the HUB framework: a novel mathematical framework for modeling the teacher selection problem, 2) ATS: an active-learning based algorithmic approach that demonstrates the utility of modeling teacher heterogeneity, and 3) proof-of-concept application of the HUB framework and ATS approaches to model and solve multiple real-world problems with complex trade-offs between reward learning and optimization.
Authors: Sangwon Baek, Seung Jun Lee
Abstract: Few studies have investigated the diagnostic utilities of biomarkers for predicting bacteremia among septic patients admitted to intensive care units (ICU). Therefore, this study evaluated the prediction power of laboratory biomarkers to utilize those markers with high performance to optimize the predictive model for bacteremia. This retrospective cross-sectional study was conducted at the ICU department of Gyeongsang National University Changwon Hospital in 2019. Adult patients qualifying SEPSIS-3 (increase in sequential organ failure score greater than or equal to 2) criteria with at least two sets of blood culture were selected. Collected data was initially analyzed independently to identify the significant predictors, which was then used to build the multivariable logistic regression (MLR) model. A total of 218 patients with 48 cases of true bacteremia were analyzed in this research. Both CRP and PCT showed a substantial area under the curve (AUC) value for discriminating bacteremia among septic patients (0.757 and 0.845, respectively). To further enhance the predictive accuracy, we combined PCT, bilirubin, neutrophil lymphocyte ratio (NLR), platelets, lactic acid, erythrocyte sedimentation rate (ESR), and Glasgow Coma Scale (GCS) score to build the predictive model with an AUC of 0.907 (95% CI, 0.843 to 0.956). In addition, a high association between bacteremia and mortality rate was discovered through the survival analysis (0.004). While PCT is certainly a useful index for distinguishing patients with and without bacteremia by itself, our MLR model indicates that the accuracy of bacteremia prediction substantially improves by the combined use of PCT, bilirubin, NLR, platelets, lactic acid, ESR, and GCS score.
Authors: Ainesh Bakshi, Allen Liu, Ankur Moitra, Ewin Tang
Abstract: We study the problem of Hamiltonian structure learning from real-time evolution: given the ability to apply $e^{-\mathrm{i} Ht}$ for an unknown local Hamiltonian $H = \sum_{a = 1}^m \lambda_a E_a$ on $n$ qubits, the goal is to recover $H$. This problem is already well-understood under the assumption that the interaction terms, $E_a$, are given, and only the interaction strengths, $\lambda_a$, are unknown. But how efficiently can we learn a local Hamiltonian without prior knowledge of its interaction structure? We present a new, general approach to Hamiltonian learning that not only solves the challenging structure learning variant, but also resolves other open questions in the area, all while achieving the gold standard of Heisenberg-limited scaling. In particular, our algorithm recovers the Hamiltonian to $\varepsilon$ error with total evolution time $O(\log (n)/\varepsilon)$, and has the following appealing properties: (1) it does not need to know the Hamiltonian terms; (2) it works beyond the short-range setting, extending to any Hamiltonian $H$ where the sum of terms interacting with a qubit has bounded norm; (3) it evolves according to $H$ in constant time $t$ increments, thus achieving constant time resolution. As an application, we can also learn Hamiltonians exhibiting power-law decay up to accuracy $\varepsilon$ with total evolution time beating the standard limit of $1/\varepsilon^2$.
Authors: Yuyang Yan, Sami O. Simons, Loes van Bemmel, Lauren Reinders, Frits M. E. Franssen, Visara Urovi
Abstract: Voice signals originating from the respiratory tract are utilized as valuable acoustic biomarkers for the diagnosis and assessment of respiratory diseases. Among the employed acoustic features, Mel Frequency Cepstral Coefficients (MFCC) is widely used for automatic analysis, with MFCC extraction commonly relying on default parameters. However, no comprehensive study has systematically investigated the impact of MFCC extraction parameters on respiratory disease diagnosis. In this study, we address this gap by examining the effects of key parameters, namely the number of coefficients, frame length, and hop length between frames, on respiratory condition examination. Our investigation uses four datasets: the Cambridge COVID-19 Sound database, the Coswara dataset, the Saarbrucken Voice Disorders (SVD) database, and a TACTICAS dataset. The Support Vector Machine (SVM) is employed as the classifier, given its widespread adoption and efficacy. Our findings indicate that the accuracy of MFCC decreases as hop length increases, and the optimal number of coefficients is observed to be approximately 30. The performance of MFCC varies with frame length across the datasets: for the COVID-19 datasets (Cambridge COVID-19 Sound database and Coswara dataset), performance declines with longer frame lengths, while for the SVD dataset, performance improves with increasing frame length (from 50 ms to 500 ms). Furthermore, we investigate the optimized combination of these parameters and observe substantial enhancements in accuracy. Compared to the worst combination, the SVM model achieves an accuracy of 81.1%, 80.6%, and 71.7%, with improvements of 19.6%, 16.10%, and 14.90% for the Cambridge COVID-19 Sound database, the Coswara dataset, and the SVD dataset respectively.
Authors: Yiye Wang, Wenming Zheng, Yang Li, Hao Yang
Abstract: Graph neural networks (GNNs) are becoming increasingly popular for EEG-based depression detection. However, previous GNN-based methods fail to sufficiently consider the characteristics of depression, thus limiting their performance. Firstly, studies in neuroscience indicate that depression patients exhibit both common and individualized brain abnormal patterns. Previous GNN-based approaches typically focus either on fixed graph connections to capture common abnormal brain patterns or on adaptive connections to capture individualized patterns, which is inadequate for depression detection. Secondly, brain network exhibits a hierarchical structure, which includes the arrangement from channel-level graph to region-level graph. This hierarchical structure varies among individuals and contains significant information relevant to detecting depression. Nonetheless, previous GNN-based methods overlook these individualized hierarchical information. To address these issues, we propose a Hybrid GNN (HGNN) that merges a Common Graph Neural Network (CGNN) branch utilizing fixed connection and an Individualized Graph Neural Network (IGNN) branch employing adaptive connections. The two branches capture common and individualized depression patterns respectively, complementing each other. Furthermore, we enhance the IGNN branch with a Graph Pooling and Unpooling Module (GPUM) to extract individualized hierarchical information. Extensive experiments on two public datasets show that our model achieves state-of-the-art performance.
Authors: Zhichao Wang, Bin Bi, Zixu Zhu, Xiangbo Mao, Jun Wang, Shiyu Wang, Cheng Wang, Dong Nie, Lingzi Hong
Abstract: By pretraining on trillions of tokens, an LLM gains the capability of text generation. However, to enhance its utility and reduce potential harm, SFT and alignment are applied sequentially to the pretrained model. Because SFT and alignment have different objectives and underlying processes, performance on certain tasks can decline. To address this, we seamlessly introduce Unified Fine-Tuning (UFT), which integrates SFT and alignment into a single training stage using the same objective and loss functions through an implicit reward function. Our experimental results demonstrate that UFT outperforms SFT on instruction-tuning data alone. Moreover, when combining instruction-tuning data with alignment data, UFT effectively prevents the degradation on some tasks across these two stages and shows a clear advantage over sequentially applying SFT and alignment. This is evident in the significant improvements observed in the \textbf{ifeval} task for instruction-following and the \textbf{truthful} task for factuality. The proposed general fine-tuning framework UFT establishes an effective and efficient paradigm for LLM post-training.
Authors: Yuheng Ding, Bo Qiang, Shaoning Li, Yiran Zhou, Jie Yu, Qi Li, Cheng Shi, Liangren Zhang, Yusong Wang, Nanning Zheng, Zhenming Liu
Abstract: Natural products, as metabolites from microorganisms, animals, or plants, exhibit diverse biological activities, making them crucial for drug discovery. Nowadays, existing deep learning methods for natural products research primarily rely on supervised learning approaches designed for specific downstream tasks. However, such one-model-for-a-task paradigm often lacks generalizability and leaves significant room for performance improvement. Additionally, existing molecular characterization methods are not well-suited for the unique tasks associated with natural products. To address these limitations, we have pre-trained a foundation model for natural products based on their unique properties. Our approach employs a novel pretraining strategy that is especially tailored to natural products. By incorporating contrastive learning and masked graph learning objectives, we emphasize evolutional information from molecular scaffolds while capturing side-chain information. Our framework achieves state-of-the-art (SOTA) results in various downstream tasks related to natural product mining and drug discovery. We first compare taxonomy classification with synthesized molecule-focused baselines to demonstrate that current models are inadequate for understanding natural synthesis. Furthermore, by diving into a fine-grained analysis at both the gene and microbial levels, NaFM demonstrates the ability to capture evolutionary information. Eventually, our method is experimented with virtual screening, illustrating informative natural product representations that can lead to more effective identification of potential drug candidates.
Authors: Morenikeji Neri, Nicholas Pischke, Thomas Powell
Abstract: We provide a general theorem on the asymptotic behavior of stochastic processes that conform to a relaxed supermartingale condition. The distinguishing feature of our result is that it provides quantitative convergence guarantees at a much higher level of abstraction and generality than is typically seen in the stochastic approximation literature, formulated in particular in terms of a general modulus $\tau$ that, on an intuitive level, captures an effective variant of the uniqueness in expectation of associated solutions. Our convergence rate is highly uniform, depending on very few data beyond $\tau$. We then demonstrate the utility of our result as a unifying framework by deriving new quantitative versions of several key concepts and theorems from stochastic approximation, including the Robbins-Siegmund theorem, Dvoretzky's convergence theorem, and the convergence of stochastic quasi-Fej\'er monotone sequences, the latter formulated in a novel and highly general metric context. Throughout, we isolate and discuss special cases of our results which allow for the construction of fast, and in particular linear, rates. Various applications of our results and our general methodology to stochastic approximation are discussed, and in particular explicitly derived in related work of the authors.
Authors: Thomas Nagler, David R\"ugamer
Abstract: Prior-data fitted networks (PFNs) have emerged as promising foundation models for prediction from tabular datasets, achieving state-of-the-art performance on small to moderate data sizes without tuning. While PFNs are motivated by Bayesian ideas, they do not provide any uncertainty quantification for predictive means, quantiles, or similar quantities. We propose a principled, efficient, and tuning-free sampling procedure to construct Bayesian posteriors for such estimates based on martingale posteriors, and prove its convergence. Several simulated and real-world data examples showcase the efficiency and calibration of our method in inference applications.
Authors: Bruno Viti, Elias Karabelas, Martin Holler
Abstract: Most machine learning-based image segmentation models produce pixel-wise confidence scores that represent the model's predicted probability for each class label at every pixel. While this information can be particularly valuable in high-stakes domains such as medical imaging, these scores are heuristic in nature and do not constitute rigorous quantitative uncertainty estimates. Conformal prediction (CP) provides a principled framework for transforming heuristic confidence scores into statistically valid uncertainty estimates. However, applying CP directly to image segmentation ignores the spatial correlations between pixels, a fundamental characteristic of image data. This can result in overly conservative and less interpretable uncertainty estimates. To address this, we propose CONSIGN (Conformal Segmentation Informed by Spatial Groupings via Decomposition), a CP-based method that incorporates spatial correlations to improve uncertainty quantification in image segmentation. Our method generates meaningful prediction sets that come with user-specified, high-probability error guarantees. It is compatible with any pre-trained segmentation model capable of generating multiple sample outputs. We evaluate CONSIGN against two CP baselines across three medical imaging datasets and two COCO dataset subsets, using three different pre-trained segmentation models. Results demonstrate that accounting for spatial structure significantly improves performance across multiple metrics and enhances the quality of uncertainty estimates.
Authors: Arthur S. Bianchessi, Yasmin C. Aguirre, Rodrigo C. Barros, Lucas S. Kupssinsk\"u
Abstract: Transformer-based language models rely on positional encoding (PE) to handle token order and support context length extrapolation. However, existing PE methods lack theoretical clarity and rely on limited evaluation metrics to substantiate their extrapolation claims. We propose the Bayesian Attention Mechanism (BAM), a theoretical framework that formulates positional encoding as a prior within a probabilistic model. BAM unifies existing methods (e.g., NoPE and ALiBi) and motivates a new Generalized Gaussian positional prior that substantially improves long-context generalization. Empirically, BAM enables accurate information retrieval at $500\times$ the training context length, outperforming previous state-of-the-art context length generalization in long context retrieval accuracy while maintaining comparable perplexity and introducing minimal additional parameters.
Authors: Yifei Xu, Tusher Chakraborty, Srinagesh Sharma, Leonardo Nunes, Swati Sharma, Kate Drakos Demopulos, Emre K{\i}c{\i}man, Songwu Lu, Ranveer Chandra
Abstract: Reinforcement learning (RL) training of large language models (LLMs) on unverifiable tasks is challenging even when a reasonable-quality reference answer is available. We propose a constrained RL training framework that (i) optimizes a token-level dense Reasoning Reflection Reward (R3) aligned with reasoning quality, and (ii) enforces rubric-gating as feasibility constraints at the rollout group level. R3 measures the model's token-level certainty of a reference answer under its chain-of-thought (CoT) prefix, and selectively emphasizes tokens with high cross-rollout variance, which we call reasoning-reflective tokens, that would otherwise be diluted by the bulk of low-variance tokens. The same variance signal also drives a filter that discards queries with insufficient signal for comparative learning. Rubric-gating complements R3 by operationalizing principled task criteria as hard accept/reject checks on final answers. Empirically, across four datasets spanning scientific writing, medicine, legal contracts, and finance, our framework outperforms strong baselines, achieves faster, more sample-efficient learning, and respects feasibility constraints.
Authors: Chungang Lin, Xuying Meng, Tianyu Zuo, Weiyao Zhang, Meng Shen, Ruijie Zhao, Guanming Che, Ruiqi Meng, Ziyue Huang, Haitong Luo, Zhiwei Xu, Yujun Zhang
Abstract: Pervasive encryption makes large-scale labeling infeasible for traffic analysis, while security operations demand edge analysis to avert service degradation and further vulnerabilities. These pressures have produced two disjoint research lines: 1) versatile analysis, via network foundation models for low label dependency, and 2) efficient analysis, via hardware offloading for low analysis latency. However, versatility and efficiency have appeared fundamentally incompatible to co-achieve, with prior work consistently sacrificing one for the other, yet we show that this incompatibility is a consequence of polarized design choices across the three components of traffic analysis systems, i.e., traffic processing, model architecture, and analysis execution. In response, we present Nepco, a versatile yet efficient network traffic analysis system that offloads network foundation models to SmartNIC. Our key observation is that discriminative traffic information is concentrated in localized byte regions, motivating versatile yet efficient localized byte-sequence modeling rather than inefficient global modeling. To exploit this without incurring the latency bottlenecks of complex encoding steps, we employ a hardware-friendly processing pipeline that directly embeds raw byte sequences. Crucially, to maintain versatility across diverse tasks, we propose a pattern-aware convolutional architecture equipped with dedicated scoring and gating mechanisms. By exploiting translation invariance, this design dynamically locates and extracts salient semantic signatures. We prototype Nepco on the Nvidia BlueField-3 SmartNIC with multiengine collaborative analysis execution. The experimental results demonstrate that Nepco achieves macro F1 competitive with the best performances achieved by 8 state-of-the-art network foundation models, while reducing end-to-end latency by 328x to the millisecond scale.
Authors: James Mooney, Josef Woldense, Zheng Robert Jia, Shirley Anugrah Hayati, My Ha Nguyen, Vipul Raheja, Dongyeop Kang
Abstract: The impressive capabilities of Large Language Models (LLMs) raise the possibility that synthetic agents can serve as substitutes for real participants in human-subject research. To evaluate this claim, prior research has largely focused on whether LLM-generated survey responses align with those produced by human respondents whom the LLMs are prompted to represent. In contrast, we address a more fundamental question: Do agents maintain empirical consistency; aligning to human behavioral models when examined under different experimental settings? To this end, we develop a study designed to (a) ask a set of questions which reveals an agent's latent profile and (b) examine agent behavioral consistency in a conversational setting with other agents. This design enables us to explore a set of behavioral hypotheses to assess whether an agent's conversational behavior is consistent with what we would expect from its revealed state. Our findings show significant inconsistencies in LLMs across model families and at differing model sizes. Most importantly, we find that, although agents may generate responses matching those of their human counterparts, they fail to be empirically consistent, representing a critical gap in their capabilities to accurately substitute for real participants in human-subject research.
Authors: Aina Ferr\`a Marc\'us, Robert Jankowski, Meritxell Vila Mi\~nana, Carles Casacuberta, M. \'Angeles Serrano
Abstract: Many complex networks, ranging from social to biological systems, exhibit structural patterns consistent with an underlying hyperbolic geometry. Revealing the dimensionality of this latent space can disentangle the structural complexity of communities, impact efficient network navigation, and fundamentally shape connectivity and system behavior. We introduce a topological data analysis weighting scheme for graphs based on chordless cycles to estimate network dimensionality in a data-driven way. We further show that the resulting descriptors can effectively estimate network dimensionality using a neural network architecture trained on a synthetic graph database constructed for this purpose, which requires no retraining to transfer effectively to real-world networks. Thus, by combining cycle-aware filtrations, algebraic topology, and machine learning, our approach provides a robust and effective method for uncovering the hidden geometry of complex networks and guiding accurate modeling and low-dimensional embedding.
Authors: Mikhail Kulyabin, Jan Joosten, Choro Ulan uulu, Nuno Miguel Martins Pacheco, Fabian Ries, Filippos Petridis, Jan Bosch, Helena Holmstr\"om Olsson
Abstract: Customer feedback in industrial forums offers rich but underexplored insights into real-world product experience. Yet systematic analysis remains challenging due to unstructured, domain-specific content and the scarcity of high-quality labeled datasets. This paper presents the User eXperience Perception Insights Dataset (UXPID), a collection of 7130 synthesized and anonymized user feedback branches extracted from a public industrial automation forum. Each JSON record contains multi-post comments enriched with metadata and annotated by a large language model (LLM) for UX insights, user expectations, severity ratings, sentiment, and topic classifications. UXPID is designed to facilitate research in user requirements, user experience (UX) analysis, and AI-driven feedback processing, particularly where privacy and licensing restrictions limit access to real-world data. It supports the training and evaluation of transformer-based models for tasks such as issue detection, sentiment analysis, and requirements extraction in technical forums, providing a valuable resource for advancing NLP methods within industrial product support and software engineering domains.
Authors: Max Hartman, Vidhata Jayaraman, Moulik Choraria, Akhil Bhimaraju, Lav R. Varshney
Abstract: Vision-language models achieve incredible performance across a wide range of tasks, but their large size makes inference costly. Recent work has shown that multimodal processing contains significant redundancies, making it possible to skip certain layers with minimal performance loss. Yet current pruning techniques remain ad-hoc, relying on heuristics or hyperparameter sweeps rather than principled criteria for determining when layer skipping is beneficial. In this paper, we propose a unified framework that characterizes the redundancy conditions under which pruning can enhance efficiency without sacrificing performance. Central to our approach are experimentally verifiable and interpretable notions of redundancy that can be evaluated without requiring downstream task performance as a metric. Applying this framework, we corroborate prior findings that both early and late vision tokens are redundant across models, and we validate our conditions by showing they align with actual performance degradation. Beyond these empirical results, our framework provides a theoretically grounded understanding of redundancy in VLMs and unifies many of the ideas behind modern layer-skipping techniques.
Authors: Tuan Nguyen, Naseem Khan, Khang Tran, NhatHai Phan, Issa Khalil
Abstract: The rapid rise of synthetic media has made deepfake detection a critical challenge for online safety and trust. Progress remains constrained by the scarcity of large, high-quality datasets. Although multimodal large language models (LLMs) exhibit strong reasoning capabilities, their performance on deepfake detection is poor, often producing explanations that are misaligned with visual evidence or hallucinatory. To address this limitation, we introduce a reasoning-annotated dataset for deepfake detection and propose Paragraph-level Relative Policy Optimization (PRPO), a reinforcement learning algorithm that aligns LLM reasoning with image content at the paragraph level. Experiments show that PRPO improves detection accuracy by a wide margin and achieves the highest reasoning score of 4.55/5.0. Ablation studies further demonstrate that PRPO significantly outperforms GRPO under test-time conditions. These results underscore the importance of grounding multimodal reasoning in visual evidence to enable more reliable and interpretable deepfake detection.
Authors: G\"unter F. Steinke, Thomas Steinke
Abstract: Standard techniques for differentially private estimation, such as Laplace or Gaussian noise addition, require guaranteed bounds on the sensitivity of the estimator in question. But such sensitivity bounds are often large or simply unknown. Thus we seek differentially private methods that can be applied to arbitrary black-box functions. A handful of such techniques exist, but all are either inefficient in their use of data or require evaluating the function on exponentially many inputs. In this work we present a scheme that trades off between statistical efficiency (i.e., how much data is needed) and oracle efficiency (i.e., the number of evaluations). We also present lower bounds showing the near-optimality of our scheme.
Authors: Sangyoon Bae, Mehdi Azabou, Blake Richards, Jiook Cha
Abstract: Neural recordings exhibit a distinctive form of heterogeneity rooted in differences in cell types, intrinsic circuit dynamics, and stochastic stimulus-response variability that goes beyond ordinary dataset variability, mixing statistically regular neurons with highly stochastic, stimulus-contingent ones within the same dataset. This heterogeneity poses a challenge for self-supervised learning (SSL) -- learnable statistical regularity -- thereby destabilizing representation learning and limiting reliable scaling. We introduce POYO-CAP (Cell-pattern Aware Pretraining), a biologically grounded hybrid pretraining strategy that first trains with masked reconstruction plus lightweight auxiliary supervision on statistically regular neurons -- identified via skewness and kurtosis -- and then fine-tunes on more stochastic populations. On the Allen Brain Observatory dataset, this curriculum yields 12--13\% relative improvements over from-scratch training and enables smooth, monotonic scaling with model size, whereas baselines trained on mixed populations plateau or destabilize. By making statistical predictability an explicit data-selection criterion, POYO-CAP turns neural heterogeneity into a scalable learning advantage for robust neural decoding.
Authors: Archana Warrier, Dat Nguyen, Michelangelo Naim, Moksh Jain, Yichao Liang, Karen Schroeder, Cambridge Yang, Joshua B. Tenenbaum, Sebastian Vollmer, Kevin Ellis, Zenna Tavares
Abstract: World models are central to building AI agents capable of flexible reasoning and planning. Yet current evaluations (i) test only properties measurable from observed interactions, such as next-frame prediction or task return, and (ii) do not test whether a learned model supports diverse queries about the environment. In contrast, humans build $\textit{general-purpose}$ models that can answer many different questions about an environment$\unicode{x2014}$including questions that require understanding global structure and counterfactual consequences. We propose $\textit{WorldTest}$: a protocol for evaluating whether agents learn models that support multiple $\textit{environment-level queries}\unicode{x2014}$questions whose answers depend on properties of the full environment, not just observed trajectories. Individually, these queries can target properties (e.g., reachability or the effects of interventions) that no single rollout distribution determines. Collectively, they assess model generality across query types. We instantiate WorldTest as $\textit{AutumnBench}$, a benchmark of 43 interactive grid-world environments and 129 tasks across three query families for both humans and learning agents. Experiments with 517 human participants and five frontier models show that humans substantially outperform these models, a gap we attribute to differences in exploration and belief updating. AutumnBench provides a framework for evaluating world-model learning in grid-world environments with environment-level queries, and WorldTest provides a template for extending such evaluations to richer domains.
Authors: Danqi Liao, Chen Liu, Xingzhi Sun, Di\'e Tang, Haochen Wang, Scott Youlten, Srikar Krishna Gopinath, Haejeong Lee, Ethan C. Strayer, Antonio J. Giraldez, Smita Krishnaswamy
Abstract: Generating property-optimized mRNA sequences is central to applications such as vaccine design and protein replacement therapy, but remains challenging due to limited data, complex sequence-function relationships, and the narrow space of biologically viable sequences. Generative methods that drift away from the data manifold can yield sequences that fail to fold, translate poorly, or are otherwise nonfunctional. We present RNAGenScape, a property-guided manifold Langevin dynamics framework for mRNA sequence generation that operates directly on a learned manifold of real data. By performing iterative local optimization constrained to this manifold, RNAGenScape preserves biological viability, accesses reliable guidance, and avoids excursions into nonfunctional regions of the ambient sequence space. The framework integrates three components: (1) an autoencoder jointly trained with a property predictor to learn a property-organized latent manifold, (2) a denoising autoencoder that projects updates back onto the manifold, and (3) a property-guided Langevin dynamics procedure that performs optimization along the manifold. Across three real-world mRNA datasets spanning two orders of magnitude in size, RNAGenScape increases median property gain by up to 148% and success rate by up to 30% while ensuring biological viability of generated sequences, and achieves competitive inference efficiency relative to existing generative approaches.
Authors: Vinaik Chhetri, Moghis Fereidouni, A. B Siddique, Umar Farooq
Abstract: Large language models (LLMs) for code are increasingly used in software development, but they remain static after pretraining while APIs and software libraries continue to evolve. Model editing offers a lightweight alternative to retraining for incorporating API updates, yet it remains unclear whether existing editing methods can induce correct API migration, generalize that behavior to unseen tasks, and preserve performance on tasks involving unmodified APIs. We present a controlled benchmark for evaluating model editing under API updates in code LLMs, built from HumanEval, MBPP, and APPS, with 2,040 problems spanning 140 unique synthetic API modifications, together with an execution sandbox that enforces edited APIs under standard Python semantics. We evaluate several state-of-the-art editing methods on three code LLMs under both single-edit and successive-edit regimes using execution-based metrics that distinguish successful API adoption from workaround-based task completion. Under single edits, edited models generalize poorly to unseen uses of the modified API, and many apparent successes are workaround-based rather than true API migrations. Performance on tasks involving unmodified APIs also degrades, although memory-based methods and fine-tuning preserve specificity better than locate-then-edit methods. Under successive edits, most method-model combinations collapse to near-zero Pass@k on both generalization and specificity, revealing substantial interference beyond the target edits. A two-factor Shapley decomposition further shows that single-edit failures on generalization include a substantial compilation component, whereas specificity failures are more often post-compilation. Under successive edits, failures become predominantly compilation-driven.
Authors: Haiyan Zhao, Zirui He, Yiming Tang, Fan Yang, Ali Payani, Dianbo Liu, Mengnan Du
Abstract: Large language models (LLMs) have achieved remarkable progress across diverse tasks, yet their internal mechanisms remain largely opaque. In this work, we investigate a fundamental question: to what extent can the original input text be recovered from a single last-token representation in an LLM? To this end, we propose Rep2Text, a novel framework for decoding text from last-token representations. Rep2Text employs a trainable adapter that maps a target model's last-token representation into the token embedding space of a decoding language model, which then autoregressively reconstructs the input text. Experiments across various model combinations (Llama-3.1-8B, Gemma-7B, Mistral-7B-v0.1, Llama-3.2-3B, etc.) show that, on average, roughly half of the tokens in 16-token sequences can be recovered from this compressed representation while preserving strong semantic coherence. Further analysis reveals a clear information bottleneck effect: as sequence length increases, token-level recovery declines, while semantic information remains relatively well preserved. We also find that scaling effects are less pronounced in inversion tasks. Finally, our framework demonstrates robust generalization to out-of-distribution clinical data.
Authors: Simon Kuang, Xinfan Lin
Abstract: The Kalman filter and Rauch-Tung-Striebel (RTS) smoother are optimal for state estimation in linear dynamic systems. With nonlinear systems, the challenge consists in how to propagate uncertainty through the state transitions and output function. For the case of a neural network model, we enable accurate uncertainty propagation using a recent state-of-the-art analytic formula for computing the mean and covariance of a deep neural network with Gaussian input. We argue that cross entropy is a more appropriate performance metric than RMSE for evaluating the accuracy of filters and smoothers. We demonstrate the superiority of our method for state estimation on a stochastic Lorenz system and a Wiener system, and find that our method enables more optimal linear quadratic regulation when the state estimate is used for feedback. Code available at https: //github.com/simontheflutist/analytic-moments.
Authors: Emanuele La Malfa, Ping Zhu, Samuele Marro, Sara Bernardini, Michael Wooldridge
Abstract: We present an end-to-end framework for planning supported by verifiers. An orchestrator receives a human specification written in natural language and converts it into a PDDL (Planning Domain Definition Language) model, where the domain and problem are iteratively refined by sub-modules (agents) to address common planning requirements, such as time constraints and optimality, as well as ambiguities and contradictions that may exist in the human specification. We support two categories of agents: hardcoded, which are informed by logs and error traces and have a pre-defined goal (e.g., fix issues with PDDL syntax, check temporal constraints), and dynamic, which have no predefined goal but adapt to the specific domain and revise the latent planning abstraction. The validated domain and problem are then passed to an external planning engine to generate a plan. The orchestrator and agents are powered by Large Language Models (LLMs) and require no human intervention at any stage of the process. Finally, a module translates the final plan back into natural language to improve human readability while maintaining the correctness of each step. We demonstrate the flexibility and effectiveness of our framework on GPT-\{4o, 5-mini, 5.4\}, and Gemini-\{2.5, 3\}-flash across more than ten domains and tasks, including the Google NaturalPlan benchmark, Planbench, and classic planning problems like Sokoban, Blocksworld and the Tower of Hanoi, where LLMs are known to struggle even with small instances. Our framework can be integrated with any PDDL planning engine and validator (we successfully tested Fast Downward, LPG, POPF, VAL, and uVAL) and represents a significant step toward end-to-end planning aided by LLMs.
Authors: Zhangde Song, Jieyu Lu, Yuanqi Du, Botao Yu, Thomas M. Pruyn, Yue Huang, Kehan Guo, Xiuzhe Luo, Yuanhao Qu, Yi Qu, Yinkai Wang, Haorui Wang, Jeff Guo, Jingru Gan, Parshin Shojaee, Di Luo, Andres M Bran, Gen Li, Qiyuan Zhao, Shao-Xiong Lennon Luo, Yuxuan Zhang, Xiang Zou, Wanru Zhao, Yifan F. Zhang, Wucheng Zhang, Shunan Zheng, Saiyang Zhang, Sartaaj Takrim Khan, Mahyar Rajabi-Kochi, Samantha Paradi-Maropakis, Tony Baltoiu, Fengyu Xie, Tianyang Chen, Kexin Huang, Weiliang Luo, Meijing Fang, Xin Yang, Lixue Cheng, Jiajun He, Soha Hassoun, Xiangliang Zhang, Wei Wang, Chandan K. Reddy, Chao Zhang, Zhiling Zheng, Mengdi Wang, Le Cong, Carla P. Gomes, Chang-Yu Hsieh, Aditya Nandy, Philippe Schwaller, Heather J. Kulik, Haojun Jia, Huan Sun, Seyed Mohamad Moosavi, Chenru Duan
Abstract: Large language models (LLMs) are increasingly applied to scientific research, yet prevailing science benchmarks probe decontextualized knowledge and overlook the iterative reasoning, hypothesis generation, and observation interpretation that drive scientific discovery. We introduce a scenario-grounded benchmark that evaluates LLMs across biology, chemistry, materials, and physics, where domain experts define research projects of genuine interest and decompose them into modular research scenarios from which vetted questions are sampled. The framework assesses models at two levels: (i) question-level accuracy on scenario-tied items and (ii) project-level performance, where models must propose testable hypotheses, design simulations or experiments, and interpret results. Applying this two-phase scientific discovery evaluation (SDE) framework to state-of-the-art LLMs reveals a consistent performance gap relative to general science benchmarks, diminishing return of scaling up model sizes and reasoning, and systematic weaknesses shared across top-tier models from different providers. Large performance variation in research scenarios leads to changing choices of the best performing model on scientific discovery projects evaluated, suggesting all current LLMs are distant to general scientific "superintelligence". Nevertheless, LLMs already demonstrate promise in a great variety of scientific discovery projects, including cases where constituent scenario scores are low, highlighting the role of guided exploration and serendipity in discovery. This SDE framework offers a reproducible benchmark for discovery-relevant evaluation of LLMs and charts practical paths to advance their development toward scientific discovery.
Authors: Kerem Zaman, Shashank Srivastava
Abstract: Recent work, using the Biasing Features metric, labels a CoT as unfaithful if it omits a prompt-injected hint that affected the prediction. We argue this metric adopts a narrow notion of faithfulness and confuses unfaithfulness with incompleteness, the lossy compression needed to turn distributed transformer computation into a linear natural language narrative. On multi-hop reasoning tasks with instruct-tuned and reasoning models, many CoTs flagged as unfaithful by Biasing Features are judged faithful by other metrics, exceeding 50% in some models. With a new faithful@k metric, we show that larger inference-time budgets greatly increase hint verbalization (up to 90% in some settings), suggesting much apparent unfaithfulness is due to tight token limits. Using Causal Mediation Analysis, we further show that even non-verbalized hints can causally mediate prediction changes through the CoT. We therefore caution against relying solely on hint-based evaluations and advocate a broader interpretability toolkit, including causal mediation and corruption-based metrics. We do not claim all CoTs are faithful, only that the absence of hint words alone does not prove unfaithfulness.
Authors: Lars van der Laan, Nathan Kallus
Abstract: Reliable long-horizon value prediction is difficult in offline reinforcement learning because fitted value methods combine bootstrapping, function approximation, and distribution shift, while standard guarantees often require Bellman completeness or realizability. We introduce Bellman calibration, a weak reliability criterion requiring that states assigned similar predicted values have average Bellman targets that agree with those predictions. This criterion yields a scalar calibration error for diagnosing systematic numerical miscalibration, which we estimate from off-policy data using doubly robust Bellman target estimates. We then propose Iterated Bellman Calibration, a model-agnostic post-hoc procedure that recalibrates any learned value predictor by fitting a one-dimensional map of its original prediction, with histogram and isotonic variants. We prove finite-sample guarantees showing that Bellman calibration error is controlled at one-dimensional nonparametric rates without Bellman completeness or value-function realizability. Our value-error bounds separate statistical estimation, finite-iteration, and approximation errors, clarifying when calibration improves value prediction and when its gains are limited by the information in the original predictor or insufficient coverage.
Authors: Lars van der Laan, Nathan Kallus
Abstract: Fitted $Q$-evaluation (FQE) is a standard regression-based tool for off-policy evaluation, but existing stability guarantees often rely on Bellman completeness, a strong closure condition that can fail under function approximation. We study an alternative route: changing the norm used in the regression step. The policy-evaluation Bellman operator is contractive in the $L^2$ norm induced by the target policy's stationary state-action distribution, whereas standard off-policy FQE projects Bellman targets in the behavior-distribution norm. We propose stationary-weighted FQE, which reweights each Bellman regression by the stationary target-to-behavior density ratio. The method preserves FQE's modular supervised-learning form while aligning the fitted projection with that contractive norm. We prove finite-sample linear convergence to the stationary projected Bellman fixed point under misspecification, without requiring Bellman completeness. The bound separates finite-iteration, statistical, approximation, and weight-estimation errors, and shows that ratio-estimation error is attenuated when the inherent Bellman error is small. Controlled experiments show that stationary weighting can stabilize FQE and reduce value error when behavior-norm regression overemphasizes regions rarely visited by the target policy.
Authors: Lars van der Laan, Nathan Kallus
Abstract: Fitted $Q$-iteration (FQI) and soft FQI are widely used value-based methods for offline reinforcement learning, but their standard stability guarantees often depend on Bellman completeness, a strong closure condition that can fail under function approximation. We analyze soft FQI without Bellman completeness and identify the stability mechanism that replaces it: local stationary norm alignment. Near the soft-optimal fixed point, the soft Bellman operator has the same first-order behavior as the policy-evaluation operator for the soft-optimal policy. This operator contracts in the policy's stationary state-action norm, whereas standard fitted regression projects Bellman targets in the behavior norm. This mismatch explains instability under distribution shift. We use this insight to develop stationary-reweighted soft FQI, which reweights each regression step toward the stationary distribution of the current softmax policy. Under approximate realizability and controlled weighting error, we prove finite-sample local linear convergence to the projected fixed point, separating statistical error from geometrically damped weight-estimation error. Our results also show that ordinary soft FQI is locally stable under on-policy stationary sampling, even without Bellman completeness, and explain temperature annealing as a continuation strategy for reaching a contraction region.
Authors: Neusha Javidnia, Ruisi Zhang, Ashish Kundu, Farinaz Koushanfar
Abstract: We present SWaRL, a robust and fidelity-preserving watermarking framework designed to protect the intellectual property of code LLMs by embedding unique and verifiable signatures in the generated program. Existing watermarking approaches either rely on handcrafted code transformations or manipulate token generation probabilities at inference time, making them vulnerable to removal attacks or prone to breaking functional correctness. To address these challenges, SWaRL employs a reinforcement learning-based co-training framework that uses compiler feedback for functional correctness and a jointly trained confidential verifier as a reward signal to maintain watermark detectability. Furthermore, SWaRL employs low-rank adaptation (LoRA) during fine-tuning, enabling efficient integration of watermarking behavior and transferability across model updates. Extensive experiments show that SWaRL achieves strong watermark detection accuracy compared to prior methods while fully maintaining watermarked code functionality. Moreover, SWaRL exhibits strong resilience against refactoring and adversarial transformation attacks, which maintains reliable attribution without substantial computational overhead.
Authors: Yiran Jia, Jelena Bradic
Abstract: Learning models that can handle distribution shifts is a key challenge in domain generalization. Invariance learning, an approach that focuses on identifying features invariant across environments, improves model generalization by capturing stable relationships, which may represent causal effects when the data distribution is encoded within a structural equation model (SEM) and satisfies modularity conditions. This has led to a growing body of work that builds on invariance learning, leveraging the inherent heterogeneity across environments to develop methods that provide causal explanations while enhancing robust prediction. However, in many practical scenarios, obtaining complete outcome data from each environment is challenging due to the high cost or complexity of data collection. This limitation in available data hinders the development of models that fully leverage environmental heterogeneity, making it crucial to address missing outcomes to improve both causal insights and robust prediction. In this work, we derive an estimator from the invariance objective under missing outcomes. We establish non-asymptotic guarantees on variable selection property and $\ell_2$ error convergence rates, which are influenced by the proportion of missing data and the quality of imputation models across environments. We evaluate the performance of the new estimator through extensive simulations and demonstrate its application using the UCI Bike Sharing dataset to predict the count of bike rentals. The results show that despite relying on a biased imputation model, the estimator is efficient and achieves lower prediction error, provided the bias is within a reasonable range.
Authors: Fangxu Yu, Xingang Guo, Lingzhi Yuan, Haoqiang Kang, Hongyu Zhao, Lianhui Qin, Furong Huang, Bin Hu, Tianyi Zhou
Abstract: Time series are ubiquitous in real-world scenarios and crucial for applications ranging from energy management to traffic control. Consequently, the ability to reason over time series is a fundamental skill for generalist models to solve complex problems. However, current benchmarks for generalist models largely overlook this dimension. To bridge this gap, we introduce TSRBench, a comprehensive multi-modal benchmark designed to stress-test the full spectrum of time series reasoning capabilities. TSRBench features: i) a diverse set of 4125 problems from 14 domains, and is categorized into 4 major dimensions: Perception, Reasoning, Prediction, and Decision-Making. ii) 15 tasks from the 4 dimensions evaluating essential reasoning capabilities (e.g., numerical reasoning). Through extensive experiments, we evaluate over 30 leading proprietary and open-source LLMs, VLMs, and TSLLMs within TSRBench. Our findings reveal that: i) scaling laws hold for perception and reasoning but break down for prediction; ii) strong reasoning does not guarantee accurate context-aware forecasting, indicating a decoupling between semantic understanding and numerical prediction; and iii) despite the complementary nature of textual and visual forms of time series as inputs, current multimodal models fail to effectively fuse them for reciprocal performance gains. TSRBench provides a standardized evaluation platform that not only highlights existing challenges but also offers valuable insights to advance generalist models. Our code and dataset are available at https://tsrbench.github.io/.
Authors: Ander Artola Velasco, Dimitrios Rontogiannis, Stratis Tsirtsis, Manuel Gomez-Rodriguez
Abstract: Test-time compute has emerged as a promising strategy to enhance the reasoning abilities of large language models (LLMs). However, this strategy has in turn increased how much users pay cloud-based providers offering LLM-as-a-service, since providers charge users for the amount of test-time compute they use to generate an output. In our work, we show that the market of LLM-as-a-service is socially inefficient: providers have a financial incentive to increase the amount of test-time compute, even if this increase contributes little to the quality of the outputs. To address this inefficiency, we introduce a reverse second-price auction mechanism where providers bid their offered price and (expected) quality for the opportunity to serve a user, and users pay proportionally to the marginal value generated by the winning provider relative to the second-highest bidder. To illustrate and complement our theoretical results, we conduct experiments with multiple instruct models from the $\texttt{Llama}$ and $\texttt{Qwen}$ families, as well as reasoning models distilled from $\texttt{DeepSeek-R1}$, on math and science benchmark datasets.
Authors: James Matthew Young, Paula Cordero-Encinar, Sebastian Reich, Andrew Duncan, O. Deniz Akyildiz
Abstract: We develop diffusion-based samplers for target distributions known up to a normalising constant. To this end, we rely on the well-known diffusion path that smoothly interpolates between a simple base distribution and the target, popularised by diffusion models. We tackle the score estimation problem by developing an efficient sequential Monte Carlo sampler that evolves auxiliary variables from conditional distributions along the path, providing principled score and density estimates for time-varying distributions. To control the variance of score estimates, we further propose practical control variate schedules that incur minimal overhead. We adapt this general framework to paths induced by the Ornstein-Uhlenbeck (OU) time-reversal process, stochastic interpolants, and diffusion annealed Langevin dynamics, outlining their trade-offs. Finally, we provide theoretical guarantees and empirically demonstrate the effectiveness of our method on several synthetic and real-world datasets.
Authors: Yang Xu, Vaneet Aggarwal
Abstract: We study fixed-policy evaluation for finite Markov chains that may be reducible and periodic. Classical evaluation methods with gain and bias decomposition are not always diagnostic: the gain records only invariant Ces\`aro averages, while persistent phase-dependent behavior is absorbed into the bias together with genuinely transient effects. We identify the real peripheral invariant subspace $\mathcal{K}(P)$ of the transition matrix $P$ as the source of this ambiguity. Quotienting by $\mathcal{K}(P)$ is the minimal exact quotient that removes all non-decaying modes and makes the remaining dynamics strictly stable. After choosing a gauge projection $\Pi$ with kernel $\mathcal{K}(P)$, the reward admits a unique decomposition $r = g_\Pi^\star + (I-P)v_\Pi^\star$, where $g_\Pi^\star$ is a persistent regime profile and $v_\Pi^\star$ is a gauge-fixed transient component. An exact comparison with classical normalized gain and bias shows that the new pair reallocates the same information so that all persistent modes are represented in $g_\Pi^\star$ and $v_\Pi^\star$ is transient. This decomposition reconstructs finite-horizon returns, recovers statewise average reward, admits a transient-cost interpretation, and yields a stable estimator under a generative model.
Authors: Enrico Ventura, Beatrice Achilli, Luca Ambrogioni, Carlo Lucibello
Abstract: Classifier-free guidance (CFG) is the de facto standard for conditional sampling in diffusion models, yet it often reduces sample diversity. Using tools from statistical physics, we analyze the emergence of generative distortions induced by CFG, namely the mismatch between the CFG sampling distribution and the true conditional distribution. We study this phenomenon in analytically tractable settings with exact score functions, characterizing its dependence on data dimensionality and the number of classes. For high-dimensional Gaussian mixtures, we use dynamic mean-field theory to show that distortions arise when the number of classes scales exponentially with the data dimension, whereas they vanish in the sub-exponential regime due to a dynamical phase transition. We further prove that, in the infinite-class limit, distortions remain unavoidable regardless of dimensionality because of the increasing density of classes. Finally, we show that standard CFG schedules cannot prevent variance shrinkage, and we propose a theoretically grounded guidance schedule incorporating a negative-guidance window that improves both class separability and sample diversity in real-world latent diffusion models.
Authors: Gabriel Peyr\'e
Abstract: Entropic regularization provides a simple way to approximate linear programs whose constraints split into two or more tractable blocks. The resulting objectives are amenable to cyclic Kullback-Leibler (KL) Bregman projections, with Sinkhorn-type algorithms for optimal transport, matrix scaling, and barycenters as canonical examples. This paper gives a general blueprint for proving $O(1/k)$ dual convergence rate with a constant that scales only linearly in $1/\gamma$, where $\gamma$ is the entropic regularization parameter. We call such rates "robust", because this mild dependence on $\gamma$ underpins favorable complexity bounds for approximating the unregularized problem via alternating KL projections. The blueprint reduces the proof to a uniform primal bound and a dual bound for a quotient norm induced by the constraint split. To make these inputs usable, we propose two helper results, which rely on the non-expansiveness of the dual iterations in this quotient dual norm. Instantiating this blueprint for graph-structured transport yields a new flow-Sinkhorn algorithm for the Wasserstein-1 distance on graphs. It achieves $\varepsilon$-additive accuracy on the transshipment cost in $O(p\,\mathrm{diameter}^3/\varepsilon^{4})$ arithmetic operations (up to logarithmic factors), where $p$ is the number of edges. We also provide a machine-checked Lean formalization of the core blueprint and its graph-$\mathrm{W}_1$ instantiation.
Authors: Hanjun Park, Byeongseo Min, Jiheon Woo, Min-Wook Jeong, Jongho Shin, Yongwoo Lee, Young-Sik Kim, Yongjune Kim
Abstract: Homomorphic encryption (HE) is a prominent framework for privacy-preserving machine learning, enabling inference directly on encrypted data. However, evaluating softmax, a core component of transformer architectures, remains particularly challenging in HE due to its multivariate structure, the large dynamic range induced by exponential functions, and the costly division operation. In this paper, we propose CGF-softmax, which reformulates the softmax denominator through the cumulant generating function (CGF). By eliminating both homomorphic division and explicit maximum subtraction, this reformulation substantially reduces multiplicative depth while preserving key properties of softmax. Extensive experiments on Vision Transformers and large language models show that CGF-softmax provides an efficient and accurate approximation of softmax in encrypted inference. In particular, it achieves inference accuracy close to that of high-depth exact methods, while requiring substantially lower computational cost through reduced multiplicative depth.
Authors: Jian Gu, Aldeida Aleti, Chunyang Chen, Hongyu Zhang
Abstract: Weight tying is widely used in compact language models to reduce parameters by sharing the token table between the input embedding and the output projection. However, parameter sharing alone does not guarantee a stable token interface: during training, the correspondence between encoding tokens into hidden states and decoding hidden states into logits can drift, worsening optimization sensitivity and weakening explainability probes that rely on a meaningful vocabulary-space decoder. We propose Pseudo-Inverse Tying (PIT), which synchronizes embedding and unembedding as coupled projections of a shared latent token memory, guaranteeing a pseudo-inverse-consistent interface throughout training. PIT maintains an orthonormal shared memory, obtained by polar initialization from a source checkpoint for continued pretraining or by random orthonormal initialization for from-scratch pretraining, and introduces a learned symmetric positive definite hidden-space transform parameterized via a Cholesky factor. The output head applies this transform to hidden states before the vocabulary projection, while the embedding applies the inverse transform to token vectors using stable triangular solves, avoiding explicit pseudo-inverse recomputation and vocabulary-sized auxiliary parameters. Beyond improving training stability, PIT provides a cleaner substrate for logit-lens-style and vocabulary-space explainability probes by keeping the input and output token geometries synchronized. We evaluate PIT on on-device models spanning 256M-1.3B parameters. The results show that PIT improves continued-pretraining stability, enforces near-exact token-interface consistency across settings, and yields more predictable lightweight adaptation after continued pretraining, while from-scratch pretraining reveals a trade-off between strict interface consistency and unconstrained optimization.
Authors: Blake Bordelon, Francesco Mori
Abstract: Setting the learning rate (LR) for a deep learning model is a critical part of successful training. Choosing LRs is often done empirically with trial and error. In this work, we explore a solvable model of optimal LR schedules for a powerlaw random feature model trained with stochastic gradient descent (SGD). We consider the optimal schedule $\eta_T^\star(t)$ where $t$ is the current iterate and $T$ is the training horizon. This schedule is computed both as a numerical optimization problem and also analytically using optimal control theory. Our analysis reveals two regimes which we term the easy phase and hard phase. In the easy phase the optimal schedule is a polynomial decay $\eta_T^\star(t) \simeq T^{-\xi} (1-t/T)^{\delta}$ where $\xi$ and $\delta$ depend on the properties of the features and task. In the hard phase, the optimal schedule resembles warmup-stable-decay with constant initial LR and annealing performed over a vanishing fraction of training steps. We investigate joint optimization of LR and batch size and find batch ramps can improve the wall-clock time in the easy phase. Beyond SGD, we derive optimal schedules for momentum parameter $\beta(t)$ and show that it improves the loss-scaling exponent in the hard phase. We compare our optimal schedule to various benchmarks including (1) optimal constant learning rates $\eta_T(t) \sim T^{-\xi}$ (2) optimal power laws $\eta_T(t) \sim T^{-\xi} t^{-\chi}$, finding that our schedule achieves better rates than either of these. Our theory suggests that LR transfer across training horizon depends on the structure of the model and task. For ResNet image classification on CIFAR-5M, the learning curves exhibit hard-phase behavior where optimal base LRs are constant under sufficient annealing. GPT-2 style transformers trained in language modeling exhibit easy-phase behavior where optimal LRs shift even under annealing.
Authors: Unai Fischer-Abaigar, Emily Aiken, Christoph Kern, Juan Carlos Perdomo
Abstract: There is an extensive literature that studies how to find optimal policies in resource allocation problems, taking the underlying design parameters that define the allocation, such as what data is collected, how many people can be served, and quality of service as fixed constraints. Yet, from a planner's perspective, these design parameters are themselves optimization variables that are just as important in determining overall welfare as selecting the optimal targeting rule for a given set of constraints. This realization motivates a rich set of meta-design questions exploring how planners should make principled decisions about investments in prediction, capacity constraints, and treatment quality, all of which lie upstream of classical policy optimization. Building on initial theoretical work in this space, our paper has three main contributions. First, we formally define the broad meta-design space of resource allocation problems. Second, we develop empirical tools that enable practitioners to reliably navigate it. Third, we demonstrate the framework in two real-world case studies on German employment services and targeted cash transfer programs in Ethiopia.
Authors: Shinsaku Sakaue, Yuichi Yoshida
Abstract: We study online learning in the random-order model, where the multiset of loss functions is chosen adversarially but revealed in a uniformly random order. By extending the batch-to-online transformation of Dong and Yoshida (2023), we show that if an offline algorithm enjoys a $(1+\varepsilon)$-approximation guarantee, an average sensitivity bound controlled by a function $\varphi(\varepsilon)$, and stability with respect to $\varepsilon$, then we can obtain a small-loss regret bound typically of order $\tilde O(\varphi^{\star}(\mathrm{OPT}_T))$, where $\varphi^{\star}$ is the concave conjugate of $\varphi$, $\mathrm{OPT}_T$ is the offline optimum over $T$ rounds, and $\tilde O$ hides polylogarithmic factors in $T$. Our result refines their original $(1+\varepsilon)$-approximate regret guarantee and applies to a broad class of problems, including online $k$-means clustering and online low-rank approximation. We further apply our approach to online submodular function minimization using $(1\pm\varepsilon)$-cut sparsifiers of submodular hypergraphs, obtaining a small-loss regret bound of $\tilde O(n^3 + n^{3/4}\mathrm{OPT}_T^{3/4})$, where $n$ is the ground-set size; we also demonstrate its applicability to online $\ell_1$ regression. Our work sheds light on the power of sparsification and related algorithmic techniques in achieving small-loss regret bounds in the random-order model, without requiring structural assumptions on loss functions, such as linearity or smoothness.
Authors: Sayantan Dasgupta, Trevor Cohn, Timothy Baldwin
Abstract: The core learning signal used in language model distillation is the standard Kullback-Leibler (KL) divergence between the student and teacher distributions. Traditional KL divergence tends to be dominated by the next tokens with the highest probabilities, i.e., the teacher's modes, thereby diminishing the influence of less probable yet potentially informative components of the output distribution. We propose a new tail-aware divergence that decouples the contribution of the teacher model's top-K predicted probabilities from that of lower-probability predictions, while maintaining the same computational profile as the KL Divergence. Our decoupled approach reduces the impact of the teacher modes and, consequently, increases the contribution of the tail of the distribution. Experimental results demonstrate that our modified distillation method yields competitive performance in both pre-training and supervised distillation of decoder models across various datasets. Furthermore, the distillation process is efficient and can be performed with a modest academic budget for large datasets, eliminating the need for industry-scale computing.
Authors: Raghavv Goel, Risheek Garrepalli, Sudhanshu Agrawal, Chris Lott, Mingu Lee, Fatih Porikli
Abstract: Autoregressive (AR) language models build representations incrementally via left-to-right prediction, while diffusion language models (dLLMs) are trained through full-sequence denoising. Although recent dLLMs match AR performance, whether diffusion objectives fundamentally reshape internal representations remains unclear. We perform the first layer- and token-wise representational analysis comparing native dLLMs (LLaDA), native AR models (Qwen2.5), and AR-initialized dLLMs (Dream-7B), using cosine similarity across layers and tokens alongside static inference-time layer-skipping as an analytical probe of redundancy. We find that diffusion objectives produce more global representations with substantial early-layer redundancy and reduced recency bias, while AR objectives yield tightly coupled, locally structured representations. AR-initialized dLLMs retain AR-like dynamics despite diffusion training, revealing persistent initialization bias. Leveraging this redundancy, native dLLMs absorb up to 18.75% FLOPs reduction while retaining over 90% performance on math-reasoning and coding benchmarks, whereas AR models collapse under identical skipping, revealing that diffusion objectives, rather than architecture alone, induce depth redundancy that enables principled compression.
Authors: Kaito Baba, Risa Kishikawa, Satoshi Kodera
Abstract: We propose MARL-Rad, a multi-modal multi-agent reinforcement learning framework for radiology report generation that trains the entire agentic system on policy within its deployed radiology workflow. MARL-Rad addresses the limitation of post-hoc agentization, where fixed LLMs are organized into hand-designed agentic workflows without being optimized for their assigned roles. Our framework decomposes chest X-ray interpretation into region-specific agents and a global integrating agent, and jointly optimizes them using clinically verifiable rewards. Experiments on the MIMIC-CXR and IU X-ray datasets show that MARL-Rad consistently improves clinical efficacy metrics such as RadGraph, CheXbert, and GREEN scores, achieving state-of-the-art clinical efficacy performance. Further analyses show that MARL-Rad improves laterality consistency and produces more accurate and detailed reports. A blinded clinician evaluation further suggests that MARL-Rad produces reports clinically comparable to ground-truth reports.
Authors: Moshood A. Fakorede, Krishna Upadhyay, A. B. Siddique, Umar Farooq
Abstract: Large language models (LLMs) have shown strong performance on automated software engineering tasks, yet existing benchmarks focus primarily on library-style repositories, leaving mobile application development largely unexplored despite its framework-specific build systems, heterogeneous artifact types, and coordinated multi-file fix requirements. We introduce MobileDev-Bench, a benchmark comprising 407 real-world issue-resolution tasks collected from 19 production mobile applications spanning Android Native (Java/Kotlin), React Native (TypeScript), and Flutter (Dart). Each task pairs a verified developer-reported issue with executable test patches, enabling fully automated validation of model-generated fixes within mobile build environments. The benchmark exhibits substantially greater patch complexity than prior benchmarks: fixes modify 12.9 files and 334.6 lines on average, and 41% of instances require coordinated changes across multiple artifact types, such as source, build configuration, and resource files. Evaluation of four frontier LLMs (Claude Sonnet 4.5, Qwen3-Coder, GPT-5.2, and Gemini 2.5 Flash) yields end-to-end resolution rates of only 3.23% - 4.23% under automated retrieval and at most 5.69% under oracle retrieval, well below resolution rates reported on existing benchmarks. We release MobileDev-Bench with task instances, an evaluation harness, and containerized environments to support reproducible research on AI-assisted mobile application development.
Authors: Daniele Solombrino, Antonio Andrea Gargiulo, Alessandro Zirilli, Luca Zhou, Adrian Robert Minut, Emanuele Rodol\`a
Abstract: We show that robustness to post-training quantization (PTQ) is a transferable direction in weight space. We call this direction the quantization vector: extracted from a donor task by simple weight-space arithmetic, it can be used to patch a receiver model and improve post-PTQ Top-1 accuracy by up to 60 points in a 3-bit setting, without receiver-side quantization-aware training (QAT). Because the method requires no receiver training data, it provides a zero-shot, low-cost alternative to QAT for extremely low-bit deployment. Across four ViT scales and 22 image classification tasks, donor quantization vectors often yield substantial gains even when donor and receiver tasks differ markedly. We further prove rigorously that quantization vectors are well-defined and do not suffer from reparameterization symmetries, and provide a local geometric account of their effect. Together, these results suggest that quantization robustness can be partially isolated, reused, and transferred through simple weight-space algebra.
Authors: Yuheng Zhang, Claire Chen, Nan Jiang
Abstract: We study offline learning in KL-regularized two-player zero-sum games, where policies are optimized with respect to a fixed reference policy through KL regularization. Prior work relies on pessimistic value estimation to handle distribution shift, yielding only $\widetilde{\mathcal{O}}(1/\sqrt n)$ statistical rates. We develop a new pessimism-free algorithm and analytical framework for KL-regularized games, built on the smoothness of KL-regularized best responses and a stability property of the Nash equilibrium induced by skew symmetry. This yields, to our knowledge, the first pessimism-free offline learning guarantee for KL-regularized games, with a fast $\widetilde{\mathcal{O}}(1/n)$ sample complexity bound. We further propose an efficient self-play policy optimization algorithm that replaces exact equilibrium computation with iterative KL-regularized policy updates, and prove that its last iterate preserves the same pessimism-free statistical guarantee up to a controlled optimization error.
Authors: Aayush Mishra, Daniel Khashabi, Anqi Liu
Abstract: Activation steering is a popular white-box control technique that modifies model activations to elicit an abstract change in its behavior. It has also become a standard tool in interpretability (e.g., probing truthfulness, or translating activations into human-readable explanations) and safety research (e.g., jailbreakability). However, it is unclear whether steered behavior is realizable by any textual prompt. In this work, we cast this question as a surjectivity problem: for a fixed model, does every steered activation admit a preimage under the model's natural forward pass? Under practical assumptions, we prove that activation steering pushes the residual stream off the manifold of states reachable from discrete prompts. Almost surely, no prompt can reproduce the same internal behavior induced by steering. We also illustrate this finding empirically across three widely used LLMs. Our results establish a formal separation between white-box steerability and black-box prompting. We therefore caution against interpreting the ease and success of activation steering as evidence of prompt-based interpretability or vulnerability, and argue for evaluation protocols that explicitly decouple white-box and black-box interventions.
Authors: Panos Tsimpos, Daniel Sharp, Youssef Marzouk
Abstract: We study dynamic measure transport for generative modeling, focusing on transport maps that connect a source measure $P_0$ to a target measure $P_1$ by integrating a velocity field of the form $v_t(x) = \mathbb{E}[\dot X_t \mid X_t = x]$, where $X_\bullet = (X_t)_t$ is a stochastic process satisfying $(X_0,X_1)\sim{P_0}\otimes{P_1}$ and $\dot X_t$ is its time derivative. We investigate when $X_\bullet$ induces a \emph{straight-line flow}: a flow whose pointwise acceleration vanishes and is therefore exactly integrable by any first-order method. First, we develop multiple characterizations of straight-line flows in terms of PDEs involving the conditional statistics of the process. Then, we prove that straight-line flows under endpoint independence exhibit a sharp dichotomy. On the one hand, we construct explicit, computable straight-line processes for arbitrary Gaussian endpoints. On the other hand, we show that straight-line processes do not exist for targets with sufficiently well-separated modes. We demonstrate this obstruction through a sequence of increasingly general impossibility theorems that uncover a fundamental relationship between the sample-path behavior of a process with independent endpoints and the space-time geometry of this process' flow map. Taken together, these results provide a structural theory of when straight-line generative flows can, and cannot, exist.
Authors: Abhishek Uppar, Omar Muhammad, Sumanth Prabhu, Deepak D'Souza, Madhusudan P, Adithya Murali
Abstract: We consider the problem of verification modulo tested library contracts as a step towards automating the verification of client programs that use complex libraries. We formulate this problem as the synthesis of modular contracts for the library methods used by the client that are adequate to prove the client correct, and that also pass the scrutiny of a testing engine that tests the library against these contracts. We also consider a new form of method contracts called contextual contracts that arise in this setting that hold in the context of the client program, and can often be simpler and easier to infer than classical modular contracts. We provide a counterexample-guided learning framework to solve this problem, in which the synthesizer interacts with a constraint solver as well as the testing engine in order to infer adequate modular/contextual method contracts and inductive invariants for the client. The main synthesis engines we use are generalizing CHC solvers that are realized using ICE learning algorithms. We realize this framework in a tool called DUALIS and show its efficacy on benchmarks where clients call large libraries.
Authors: Yaowei Zheng, Richong Zhang, Shenxi Wu, Shirui Bian, Haosong Zhang, Li Zeng, Xingjian Ma, Yichi Zhang
Abstract: We study finite-horizon continuous-time policy evaluation from discrete closed-loop trajectories under time-inhomogeneous dynamics. The target value surface solves a backward parabolic equation, but the Bellman baseline obtained from one-step recursion is only first-order in the grid width. We estimate the time-dependent generator from multi-step transitions using moment-matching coefficients that cancel lower-order truncation terms, and combine the resulting surrogate with backward regression. The main theory gives an end-to-end decomposition into generator misspecification, projection error, pooling bias, finite-sample error, and start-up error, together with a decision-frequency regime map explaining when higher-order gains should be visible. Across calibration studies, four-scale benchmarks, feature and start-up ablations, and gain-mismatch stress tests, the second-order estimator consistently improves on the Bellman baseline and remains stable in the regime where the theory predicts visible gains. These results position high-order generator regression as an interpretable continuous-time policy-evaluation method with a clear operating region.
Authors: Zhixin Han, Yanzhi Zhang, Chuyang Wei, Maohang Gao, Xiawei Yue, Kefei Chen, Yu Zhuang, Haoxiang Guan, Jiyan He, Jian Li, Yitong Duan, Yu Shi, Mengting Hu, Shuxin Zheng
Abstract: Live future prediction refers to the task of making predictions about real-world events before they unfold. This task is increasingly studied using large language model-based agent systems, and it is important for building agents that can continually learn from the real world. It can provide a large number of prediction questions grounded in diverse real-world events, while preventing answer leakage. To leverage the advantages of future prediction, we present FutureWorld, a live agentic reinforcement learning environment that closes the training loop between prediction, outcome realization, and parameter updates. Specifically, we modify and extend verl-tool, resulting in a new framework that we call verl-tool-future. Unlike standard reinforcement learning training frameworks that rely on immediate rewards, verl-tool-future stores prediction-time rollouts, backfills rewards after real-world outcomes become available, and then replays the completed trajectories for policy update. Across three open-source agents, successive FutureWorld training rounds lead to consistent improvements in prediction accuracy, probabilistic scoring, and calibration, demonstrating that delayed real-world outcome feedback can serve as an effective reinforcement learning signal.
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: Indraneil Paul, Goran Glava\v{s}, Iryna Gurevych
Abstract: Reward models (RMs) have become an indispensable fixture of the language model (LM) post-training playbook, enabling policy alignment and test-time scaling. Research on the application of RMs in code generation, however, has been comparatively sparse, with existing work largely focusing on execution feedback. This choice constrains post-training to optimizing functional correctness over self-contained executable code. In this work, we examine the training and evaluation of multilingual, multi-criteria code RMs. To this end, we first compile Themis-CodeRewardBench, a benchmark to evaluate code RMs across five preference dimensions (i.e., criteria) and eight programming languages, on which we profile 50+ code, math, and general-purpose RMs. Observing the limited proficiency of current RMs beyond scoring for functional correctness, we develop Themis-CodePreference, the largest open-source collection of code preferences to date (more than 350k preference pairs), and use it to train Themis-RM, a suite of multilingual code reward models for flexible multi-criteria scoring, ranging in size from 600M to 32B parameters. Our experiments and ablations demonstrate positive scaling trends, strong cross-lingual transfer when training on diverse preferences, and the importance of multi-criteria training for reliable code reward modeling.
Authors: Iman Sharifi, Hyeong Tae Kim, Maheed Hatem Ahmed, Mahsa Ghasemi, Peng Wei
Abstract: In the envisioned future dense urban airspace, multiple companies will operate heterogeneous fleets of small unmanned aerial systems (sUASs), where each fleet includes several homogeneous aircraft with identical policies and configurations, e.g., equipage, sensing, and communication ranges, making tactical deconfliction highly complex for the aircraft. This paper aims to address two core questions: (1) Can tactical deconfliction policies converge or reach an equilibrium to ensure a conflict-free airspace when companies operate heterogeneous fleets of homogeneous aircraft? (2) If so, will the converged policies discriminate against companies operating sUASs with weaker configurations? We investigate a multi-agent reinforcement learning paradigm in which homogeneous aircraft within heterogeneous fleets operate concurrently to perform package delivery missions over Dallas, Texas, USA. An attention-enhanced Proximal Policy Optimization-based Advantage Actor-Critic (PPOA2C) framework is employed to resolve intra- and inter-fleet conflicts, with each fleet independently training its own policy while preserving privacy. Experimental results show that two fleets with distinct, shared PPOA2C policies can reach an equilibrium to maintain safe separation. While two PPOA2C policies outperform two strong rule-based baselines in terms of conflict resolution, a PPOA2C policy exhibits safer interaction with a rule-based policy, indicating adaptive capabilities of PPOA2C policies. Furthermore, we conducted extensive policy-configuration evaluations, which reveal that equilibria between similar policy types tend to favor fleets with stronger configurations. Even under similar configurations but different policy types, the equilibrium favors one of the heterogeneous policies, underscoring the need for fairness-aware conflict management in heterogeneous sUAS operations.
Authors: Abdullah Ahmad Khan, Hamid Laga, Ferdous Sohel
Abstract: Machine unlearning in Vision-Language Models (VLMs) is required for compliance with the General Data Protection Regulation (GDPR), yet current evaluation practices are inconsistent. We present the first systematic study of metric reliability in multimodal unlearning. Five standard metrics, Forget Accuracy (FA), Retain Accuracy (RA), Membership Inference Attack (MIA), Activation Distance (AD), and JS divergence (JS), yield conflicting method rankings across three VQA benchmarks (MLLMU-Bench, UnLOK-VQA, MMUBench). Kendall tau analysis over 36 unlearned LLaVA-1.5-7B models reveals two opposing clusters, {FA, RA, MIA} and {AD, JS}, with tau_FA_AD = -0.26, reproduced on BLIP-2 OPT-2.7B. Agreement is lower in multimodal VQA (average tau = 0.086) than in unimodal classification (average tau = 0.158; difference = 0.072), indicating that dual image-and-text pathways amplify inconsistency. We introduce the Unified Quality Score (UQS), a composite metric with weights derived from each metric's Spearman correlation with the oracle distance d(M_hat, M_star), where M_star is the oracle model retrained only on the retain set. RA shows the strongest reliability (rho = 0.484, p = 0.003), while FA is negatively correlated (rho = -0.418, p = 0.011). UQS yields stable rankings under 100 random weight perturbations (tau = 0.647 +- 0.262). We release the benchmark, 36 checkpoints, and an interactive leaderboard. Code and pre-computed results are available at https://github.com/neurips26/UnifiedUnl.
Authors: Evangelos Ntavelis, Sean Wu, Mohamad Shahbazi, Fabio Maninchedda, Dmitry Kostiaev, Artem Sevastopolsky, Vittorio Megaro, Trevor Phillips, Alejandro Blumentals, Shridhar Ravikumar, Mehak Gupta, Reinhard Knothe, Jeronimo Bayer, Matthias Vestner, Simon Schaefer, Thomas Etterlin, Christian Zimmermann, Mathias Deschler, Peter Kaufmann, Stefan Brugger, Sebastian Martin, Brian Amberg, Tom Runia
Abstract: We propose HeadsUp, a scalable feed-forward method for reconstructing high-quality 3D Gaussian heads from large-scale multi-camera setups. Our method employs an efficient encoder-decoder architecture that compresses input views into a compact latent representation. This latent representation is then decoded into a set of UV-parameterized 3D Gaussians anchored to a neutral head template. This UV representation decouples the number of 3D Gaussians from the number and resolution of input images, enabling training with many high-resolution input views. We train and evaluate our model on an internal dataset with more than 10,000 subjects, which is an order of magnitude larger than existing multi-view human head datasets. HeadsUp achieves state-of-the-art reconstruction quality and generalizes to novel identities without test-time optimization. We extensively analyze the scaling behavior of our model across identities, views, and model capacity, revealing practical insights for quality-compute trade-offs. Finally, we highlight the strength of our latent space by showcasing two downstream applications: generating novel 3D identities and animating the 3D heads with expression blendshapes.
Authors: Hengyu Shi, Tianyang Han, Peizhe Wang, Zhiling Wang, Xu Yang, Junhao Su
Abstract: LLM post-training typically propagates task gradients through the full depth of the model. Although this end-to-end structure is simple and general, it couples task adaptation to full-depth activation storage, long-range backward dependencies and direct task-gradient access to pretrained representations. We argue that this full-depth backward coupling can be unnecessarily expensive and intrusive, particularly when post-training supervision is much narrower than pre-training. To this end, we propose \textbf{LoPT}: Local-Learning Post-Training, a simple post-training strategy that makes gradient reach an explicit design choice. LoPT places a single gradient boundary at the transformer midpoint: the second-half block learns from the task objective, while the first-half block is updated by a lightweight feature-reconstruction objective to preserve useful representations and maintain interface compatibility. LoPT shortens the task-induced backward path while limiting direct interference from narrow task gradients on early-layer representations. Extensive experiments demonstrate that LoPT achieves competitive performance with lower memory cost, higher training efficiency and better retention of pretrained capabilities. Our code is available at: https://github.com/HumyuShi/LoPT
Authors: Dongfang Zhao
Abstract: Vector search systems built on frozen vision encoders face queries from unseen classes at deployment, yet existing adapter training collapses under this shift: high-capacity adapters with global contrastive losses silently reassign unseen-class samples to wrong seen-class clusters, dropping worst-case Label Precision by over 40 points below the frozen baseline in our tests. We propose Euclidean Geodesic Alignment (EGA), a residual adapter that couples three principles: zero initialization, local triplet loss, and hypersphere projection. These collectively induce a self-limiting dynamic: triplets that already satisfy a small margin stop producing gradients, so the adapter automatically stops updating where the local geometry is already correct. Our experiments show that at convergence $96.5\%$ of triplets are gradient-free, leaving unseen-class regions largely untouched while still enabling full-capacity refinement of seen classes. Across five diverse out-of-distribution (OOD) benchmarks, EGA achieves the highest worst-case Label Precision on the four primary splits and a consistent improvement on the fifth. The design also transfers to stronger backbones in addition to CLIP, and we provide an analytical justification linking gradient sparsity to bounded OOD perturbation.
Authors: Yanlong Zhao, Xiaoyuan Cheng, Huihang Liu, Baihua He, Xinyu Zhang, Harrison Bo Hua Zhu, Wenlong Chen, Li Zeng, Zhuo Sun
Abstract: Post-training quantization (PTQ) is an effective approach for deploying large language models (LLMs) under memory and latency constraints. Most existing PTQ methods determine quantization parameters by minimizing a layer-wise reconstruction error on a predetermined calibration dataset, typically optimized via either scale search or Gram-based methods. However, from the perspective of generalization risk, existing PTQ calibration objectives based solely on empirical reconstruction error over limited or unrepresentative calibration data may move the quantized weights away from the original floating-point weights, potentially degrading downstream performance. To address this issue, we propose \emph{Regularized Quantization Calibration} (RQC), a unified framework that augments standard PTQ objectives with a regularizer that explicitly controls weight deviation from the original weights. We further generalize this framework to incorporate a saliency-aware regularizer, resulting in \emph{Saliency-Aware Regularized Quantization Calibration} (SARQC). The proposed regularization encourages quantized weights to remain close to the original weights during calibration, leading to improved generalization at inference time. SARQC integrates seamlessly into existing PTQ pipelines and enhances both scale-search-based and Gram-based methods under a unified formulation. Extensive experiments on dense and Mixture-of-Experts LLMs demonstrate consistent improvements in perplexity and zero-shot accuracy, without introducing additional inference overhead.
Authors: Huchen Yang, Xinghao Dong, Dan Negrut, Jin-Long Wu
Abstract: Optimizing the communication structure of large language model based multi-agent systems (LLM-MAS) has been shown to improve downstream performance and reduce token usage. Existing methods typically rely on randomly sampled training tasks. However, tasks may differ substantially in difficulty and domain, and thus they are not equally informative for updating communication structure, making optimization under limited training budgets often unstable and highly sensitive to the particular training set. To actively identify the most valuable tasks for communication-structure optimization, we propose an ensemble-based information-theoretic task selection framework. The proposed method estimates task informativeness by how much a candidate task changes the distribution over graph parameters, using ensemble Kalman inversion as an efficient and derivative-free approximation of the corresponding Bayesian update. The resulting estimator is especially suitable for black-box and noisy multi-agent systems. To enhance scalability, we construct a compact candidate pool through embedding-based representative selection and combine the informative selection with surrogate modeling and batch Thompson sampling. We validate our method in both benign settings and settings with agent attacks, demonstrating its effectiveness for communication-structure optimization under constrained computational budgets.
Authors: Tianlun Hu, Tiancheng Hu, Shengsheng Litang, Sheng Wang, Xiaoming Bao, Yuxing Li, Wei Wang, Zhongzhe Hu, Lijun Li, Hongwei Sun, Jingbin Zhou
Abstract: Mixture-of-Experts (MoE) inference requires large-scale token exchange across devices, making dispatch and combine major bottlenecks in both prefill and decode. Beyond network transfer, routing-driven layout transformation, temporary relay, and output restoration can add substantial overhead. Existing MoE communication paths are often buffer-centric, using explicit inter-process relay and reordering buffers around collective transfer. This report presents a relay-buffer-free communication design for MoE inference acceleration on Ascend systems. The design reorganizes dispatch and combine around direct placement into destination expert windows and direct reading from remote expert windows. Built on globally pooled high-bandwidth memory and symmetric-memory allocation, it removes most intermediate relay and reordering buffers while retaining only lightweight control state, including counts, offsets, and synchronization metadata. We instantiate the design as two schedules for the main phases of MoE inference: a prefill schedule with richer planning state for throughput-oriented execution, and a compact decode schedule for latency-sensitive execution. Experiments on Ascend-based MoE workloads show reduced dispatch and combine latency in both settings. At the serving level, the implementation improves time to first token (TTFT), preserves competitive time per output token (TPOT), and enlarges the feasible scheduling space under practical latency constraints. These results indicate that, on platforms with globally addressable device memory, reducing intermediate buffering and output restoration around expert execution is an effective direction for accelerating MoE inference.