Authors: Yoichi Ochiai
Abstract: While real-time image generation using diffusion models has advanced rapidly on NVIDIA GPUs, systematic optimization research on non-CUDA platforms such as Apple Silicon remains extremely limited. In this study, we conducted comprehensive optimization experiments across 10 phases targeting the Apple M3 Ultra (60-core GPU, 512 GB unified memory) with the goal of achieving real-time camera img2img transformation. We explored a wide range of techniques including CoreML conversion, quantization, Token Merging, Neural Engine utilization, compact model exploration, frame interpolation, kNN search-based synthesis, pix2pix-turbo, optical flow frame skipping, and knowledge distillation, quantitatively evaluating the effectiveness of each approach. Ultimately, by combining CoreML conversion of the distillation-specialized model SDXS-512 with a 3-thread camera pipeline, we achieved real-time camera img2img transformation at 22.7 FPS at 512x512 resolution. The primary contribution of this work is the systematic demonstration that optimization insights established for CUDA are not necessarily effective on Apple Silicon's unified memory architecture. We reveal an optimization landscape fundamentally different from that of NVIDIA GPUs -- including the absence of speedup from quantization, the ineffectiveness of parallel inference, and the unsuitability of the Neural Engine for large-scale models -- and provide practical guidelines for diffusion model inference on Apple Silicon.
Authors: Mohammad S. Alkousa, Fedor S. Stonyakin, Belal A. Alashqar, Seydamet S. Ablaev
Abstract: Variational inequalities play a key role in machine learning research, such as generative adversarial networks, reinforcement learning, adversarial training, and generative models. This paper is devoted to the constrained variational inequality problems with functional constraints (inequality-type constraints). We propose some mirror descent-type algorithms that switch between productive and non-productive steps depending on the values of the functional constraints at iterations, with many different step size rules and stopping criteria. We analyze the proposed algorithms and prove their optimal convergence rate to achieve a solution with desired accuracy, for problems with bounded and monotone operators and Lipschitz convex functional constraints. In addition, we propose a modification of the proposed algorithms by considering each functional constraint in the calculation when we have a productive step, as well as the first constraint that violates the feasibility. This modification can save the running time of algorithms when we have many functional constraints. In addition, we provide an analysis of the proposed algorithms for $\delta$-monotone operators, allowing us to apply the proposed algorithms, as a special case, to constrained minimization problems when we do not have access to the exact information about the subgradient of the objective function. Numerical experiments that illustrate the work and performance of the proposed algorithms are also given.
Authors: Fei Ding, Yongkang Zhang, Yeling Peng, Youwei Wang, Guoxiong Zhou, Zijian Zeng
Abstract: Reinforcement learning for multi-step reasoning with large language models (LLMs) often relies on sparse terminal rewards, leading to poor credit assignment conditions where the final feedback is evenly propagated across all intermediate decisions. This results in high gradient variance, unstable training, and numerous ineffective updates, ultimately causing the model to fail and preventing sustained improvement. We introduce a counterfactual comparison-based credit assignment framework, which samples multiple reasoning trajectories under the same input. By treating their differences as an implicit approximation of alternative decisions, we construct an implicit process-level advantage estimator that transforms sparse terminal rewards into step-sensitive learning signals. Based on this, we propose Implicit Behavior Policy Optimization (IBPO), which significantly improves training stability and performance upper bounds on mathematical and code reasoning benchmarks, pointing to a promising direction for unlocking the performance potential of LLMs.
Authors: Neel Mishra, Kushagara Trivedi, Pawan Kumar
Abstract: Distributed training of large neural networks is bottlenecked by full-precision gradient communication and by coordinatewise optimizers that ignore the matrix structure of weight tensors. We propose Sign-Muon, a 1-bit, matrix-aware optimizer that combines majority-vote sign aggregation from signSGD with the polar-step framework of Muon. Each worker forms a Muon-style direction by taking the polar factor of its momentum via a Newton--Schulz iteration, transmits only the entrywise signs, and aggregates by majority vote; an optional local polar step further enforces orthogonality at no extra communication cost. Under spectral-norm smoothness and bounded-variance stochastic gradients, the spectral-norm normalized sign step yields an $\mathcal{O}(1/\sqrt{T})$ nonconvex rate for an $\ell_1$-based stationarity measure. With unimodal symmetric noise, majority vote across $M$ workers cuts the stochastic term by $1/\sqrt{M}$, matching signSGD. In the $\alpha$-$\beta$ model, distributed Sign-Muon needs only one integer sum-allreduce per iteration; all orthogonalization is local, giving a $32\times$ bandwidth reduction over float32 ($4\times$ for int8). Across 330 CIFAR-10/ResNet-50 configurations Sign-Muon attains the best validation accuracy (92.15\%); its 4-GPU majority-vote variant reaches 92.02\% with 37\% less training time at matched effective batch. On nanoGPT, Sign-Muon achieves lower perplexity and better anytime performance than other sign-based baselines, with favorable weak-scaling up to 16 GPUs.
Authors: Arahan Kujur
Abstract: We study adversarial action masking in self-play reinforcement learning: an attacker selectively removes legal actions from a victim's action set. Unlike observation or action perturbations, removal eliminates decision options before the agent acts. Across poker games scaling from 6 to 5,531 information states and two non-poker domains, learned masking causes substantially more damage than random masking and learned perturbation baselines. The attack persists across Q-learning, PPO, NFSP, neural NFSP, and DQN victims; transfers across agents; is amplified by self-play; and shows no recovery under extended masked training. Mechanistically, the adversary targets high-value decision points, captured by reach-weighted contingent action capacity (CAC$_w$) and a value-weighted refinement CAC$_v$. These results identify action availability as a distinct robustness surface in self-play RL.
Authors: Arahan Kujur
Abstract: We show that a threshold in decision capacity determines whether self-play reinforcement learning agents collapse under asymmetric rule perturbations. Across poker variants, matrix games, a dice game, and multiple learning algorithms, eliminating all positive-reach contingent decisions causes rapid convergence to a deterministic exploitation attractor, a fixed point at near-maximal loss. Preserving even a single positive-reach contingent decision point prevents this collapse. A frozen baseline and fixed-opponent control confirm that the mechanism is co-adaptation under constraint, not the perturbation itself. The phenomenon is timing-invariant, fully reversible upon action restoration, and intensifies under function approximation. These results establish a sharp threshold at zero reach-weighted contingent action capacity, with severity scaling continuously via reach-weighted capacity in the tested domains.
Authors: Matthew Schlegel, Volodymyr Tkachuk, Adam White, Martha White
Abstract: Building and maintaining state to learn policies and value functions is critical for deploying reinforcement learning (RL) agents in the real world. Recurrent neural networks (RNNs) have become a key point of interest for the state-building problem, and several large-scale reinforcement learning agents incorporate recurrent networks. While RNNs have become a mainstay in many RL applications, many key design choices and implementation details responsible for performance improvements are often not reported. In this work, we discuss one axis on which RNN architectures can be (and have been) modified for use in RL. Specifically, we look at how action information can be incorporated into the state update function of a recurrent cell. We discuss several choices in using action information and empirically evaluate the resulting architectures on a set of illustrative domains. Finally, we discuss future work in developing recurrent cells and discuss challenges specific to the RL setting.
Authors: Ran Tong, Tong Wang, Lanruo Wang, Yin Ni
Abstract: Medium-horizon Alzheimer's disease progression prediction is difficult because future clinical scores can remain tied to baseline severity, while biomarker histories are irregular and incompletely observed. We develop an anchor-based analysis of 24-month Clinical Dementia Rating Sum of Boxes (CDR-SB) change using harmonized Alzheimer's Disease Neuroimaging Initiative (ADNI) tables. Each labeled sample is anchored at a mild cognitive impairment visit, uses only clinical and biomarker history observed at or before that anchor, and defines the response as CDR-SB at the future visit closest to 24 months within an 18--30 month window minus anchor CDR-SB. The analytic cohort contains 2,600 labeled anchors from 858 participants and 7,276 longitudinal rows. We propose a residual gap-aware transformer that combines a mixed-effects statistical reference with transformer-based residual learning from pre-anchor clinical and biomarker histories. The model uses participant-level random intercepts in the mixed-effects reference, observation-level triplet tokenization for irregular histories, and a learned nonnegative time-gap penalty inside self-attention. We compare the proposed model with a Bayesian-information-criterion-selected linear mixed-effects baseline, GRU-D, and STraTS under repeated participant-level train--test splits. Across five participant-level random seeds, the proposed model achieves the best mean test performance across all reported metrics, reducing MSE by 13.1% and increasing prediction--observation correlation by 26.4% relative to the mixed-effects baseline. It also improves over both GRU-D and STraTS in mean error and correlation. These results show that statistical anchoring and gap-aware residual learning provide a useful structure for medium-horizon Alzheimer's disease progression prediction.
Authors: Ahmed Elmahdi
Abstract: We present AdaGraph, a graph-native clustering algorithm born from the Structure-Centric Machine Learning (SC-ML) paradigm -- a new field of unsupervised learning that replaces geometry-centric (distance-based) computation with structure-centric (topology-based) computation, fundamentally dissolving the curse of dimensionality. AdaGraph operates entirely within the kNN graph topology, a representation that retains meaningful relational structure in arbitrarily high dimensions where Euclidean distance metrics become uninformative. AdaGraph requires no a priori specification of the number of clusters k, handles noise natively, and scales via the SLCD (Sample-Learn-Calibrate-Deploy) prototype-deployment framework. As its unsupervised tuning objective, AdaGraph pairs with Graph-SCOPE, the topology-based cluster validity index introduced as a separate SC-ML contribution. On 10 synthetic benchmarks spanning d=10 to d=5000, Graph-SCOPE achieves mean ARI=0.900 and correctly selects k on 9/10 datasets -- outperforming Silhouette, Davies-Bouldin, and Calinski-Harabasz -- while maintaining Kendall tau >= 0.92 with ground-truth cluster quality across all dimensionalities (Silhouette: tau ~= 0.46). We validate AdaGraph across three scientific domains: (1) gene co-expression discovery in hepatocellular carcinoma (GSE14520, 10,000 genes, 488 patients, no dimensionality reduction), where AdaGraph identifies condition-specific gene modules that WGCNA, ICA, NMF, and Spectral Biclustering fail to resolve; (2) natural language text clustering, where AdaGraph achieves ARI=0.751 on 20NG-6cat versus HDBSCAN's 0.464 (62% relative improvement); (3) materials science clustering of superconductors (145-dimensional Magpie features), perovskites, and JARVIS-DFT materials, where AdaGraph achieves the highest Graph-SCOPE on all three datasets.
Authors: Yanbo Zhang, Michael Levin
Abstract: Language carries thought and coordination among humans but rarely reaches further along the spectrum of diverse intelligence. Yet non-neural systems -- from gene regulatory networks and microbial consortia to fungi -- are increasingly recognized as substrates of computation, decision-making and memory, making dialogue with non-human intelligence newly conceivable. Today such dialogue is attempted only by proxy: a large language model speaks on the system's behalf, so any intelligence on display originates from the model while the system itself remains silent. Here we ask whether the system can speak in its own voice. Following Wittgenstein, who located meaning in use, we treat communication as a game played with the system. Its internal dynamics are frozen as the nonlinear core of a reinforcement-learning policy, with only linear input and output interfaces trained. Through use and reward, the system's states and responses acquire meaning within the game, so playing becomes speaking. Because different architectures playing the same game optimize the same reward, their behaviors can all be read as pursuit of that reward; the game serves as a lingua franca across otherwise irreconcilable representations. Given a human prompt, a language model routes it to the game whose semantics best match it and designs an environmental state for which the desired action is the rational response, letting the system reply through its own behavior. Applied across diverse gene regulatory networks and reinforcement-learning tasks, the framework yields fluent dialogue without altering any system parameter, shows that well-trained agents of disparate origin converge on similar behavior, and reveals that specific GRN properties make a system easier or harder to talk with -- an inductive bias of the reservoir itself. Our framework opens a new route to conversing with any dynamical system on its own terms.
Authors: Eshwar Sai Kandimalla, Sravan Chowdary Kankanala, Sumana Bhimineni, Hem Sundhar Korukunda, Vivek Yelleti
Abstract: Financial market forecasting is inherently uncertain, yet most deep learning approaches rely on point predictions that provide only single-value estimates without quantifying uncertainty. Such predictions are insufficient for risk-aware decision-making, as they fail to capture the range of possible outcomes and the associated confidence of forecasts.The problem can be solved using prediction intervals, which allow obtaining an upper and lower bound for the prediction, thus enabling uncertainty representation in the model. Yet, the current methods tend to disregard relationships between assets or cannot simultaneously ensure good calibration and sharpness of the resulting intervals in dynamically changing market regimes. In our work, we propose a spatio-temporal graph-based approach with a bi-level chaotic fusion technique to solve this problem. Our model uses separate nonlinear transformation functions to estimate the interval center and width. Additionally, a volatility-aware gating mechanism is used to make predictions dependent on the regime in which the market operates. Temporal dependencies are considered by embedding graph structures and sequentially modeling them. Training is conducted according to a Lower-Upper Bound Estimation (LUBE) objective. Our experimental results show significant improvements compared to existing baselines (LSTM, GRU, GCN, HGNN) when applied to data from 2016 to 2026 with 43 leading companies in eight sectors of the NSE. It provides the lowest Winkler score (0.0778), tightest prediction intervals (PIAW = 0.1407), and highest coverage (PICP = 96.6%), with all differences statistically significant (p < 0.001) according to the Diebold-Mariano test.
Authors: Truong Xuan Khanh
Abstract: Phase-transition phenomena in deep learning (grokking, emergent capabilities, and ontological reorganization under context shift) have been studied through several lenses, including representational compression, singular learning theory, and information-theoretic progress measures. Independently, non-equilibrium statistical physics has identified phase transitions in driven chemical reaction networks underlying prebiotic selection, with empirical signatures that are difficult to reproduce within single-field gradient accounts. We propose a perspective in which both classes of phenomena admit a common description as driven informational systems: stochastic processes governed by two gradient fields, an entropy production rate Sigma and an information quasi-potential Phi_I := -ln p*, where p* is the stationary density. Within this framework we introduce two candidate order parameters: an adversarial breakdown threshold alpha_dagger and a self-referential coupling threshold kappa_c. The joint scaling of (alpha_dagger, kappa_c) defines a candidate universality class with exponents (gamma_1, gamma_2). We outline the geometric structure of this framework, identify falsifiable predictions distinguishing it from single-field alternatives, and show consistency with recent empirical findings (2024--2026) on alignment transitions, adversarial breakdown scaling, and partial introspection in large language models.
Authors: Shunchang Liu, Xin Chen, Belen Martin Urcelay, Francesco Croce
Abstract: Preference learning in large language models relies on reward models as proxies for human judgment. However, these models frequently exhibit preference instability, producing contradictory preference assignments in response to subtle, meaning-preserving input variations. We analyze this instability at the representation level under three semantic-preserving perturbation types: paraphrasing, pattern injection, and backdoor triggers. We attribute this instability to over-reliance on predictive yet brittle features, which we term unstable features, and isolate them via Sparse Autoencoders (SAEs) in a sparse latent space where benign and perturbed inputs activate distinctly separable patterns. Building on this separability, we propose two SAE-based instability mitigation strategies: SAE Feature Steering, which identifies and suppresses anomalously activated features at inference, and SAE Residual Correction, which learns adaptive adjustments over SAE features to restore correct preferences. Our methods substantially reduce incorrect preference assignments on harmlessness and hallucination benchmarks while preserving benign performance and general utility on other tasks, without retraining the reward model. Our code and data are available in \url{https://github.com/shunchang-liu/pisa}.
Authors: Tatsuhiro Nakamori, Laura Gomezjurado Gonzalez, Ganesh Talluri, Ansh Tiwari, Hideyuki Kawashima, Ioannis Mitliagkas, Guillaume Rabusseau, Hiroki Naganuma
Abstract: Low-rank gradient compression reduces communication in distributed training by representing updates with rank-$r$ factors. Dion is a recent method that approximates Muon, a spectral optimizer that orthogonalizes momentum, using one step of power iteration followed by column normalization (rescaling each column of the right factor to unit length). This makes it compatible with fully sharded data parallel training, but it converges more slowly than full-rank spectral methods. We show that this gap is geometric: column normalization does not yield the rank-$r$ polar factor that Muon implicitly targets, so the resulting direction violates the dual-norm constraint of the low-rank spectral geometry, and the rate picks up an extra factor of $\sqrt{r}$ even though the low-rank approximation of the gradient itself is accurate. The same mismatch enters the smoothness term and the error-feedback recursion in the analysis, which has a knock-on effect on empirical performance. We propose Orth-Dion, which replaces column normalization with QR orthogonalization of the right factor. Under non-Euclidean smoothness, with $L_r$ the curvature constant along rank-$r$ directions, Orth-Dion attains rate $O(\sqrt{L_r/T})$, matching exact spectral methods at the same per-step communication cost as Dion. The proof removes the bounded-drift assumption common in prior error-feedback analyses via a self-consistent fixed-point argument, and uses a time-averaged contraction that only requires the error sequence to contract on average rather than at every step. Experiments on large-scale language model pre-training validate the predicted $\sqrt{r}$ scaling and show that Orth-Dion closes the convergence gap to Muon at Dion's communication cost.
Authors: Amin Karimi Monsefi, Dominic Culver, Nikhil Bhendawade, Lokesh Boominathan, Manuel R. Ciosici, Yizhe Zhang, Irina Belousova
Abstract: Diffusion large language models are a compelling alternative to autoregressive models, yet existing RL methods for diffusion treat all denoising steps as equally important and rely on biased, high-variance likelihood estimates. We identify two fundamental weaknesses: the absence of temporal credit assignment across the denoising trajectory, and the systematic bias of mean-field likelihood estimates used for policy optimization. To address these, we propose Denoising-Aware Credit Assignment for GRPO (DACA-GRPO), a lightweight, plug-and-play enhancement for any GRPO-style trainer. DACA-GRPO introduces two complementary mechanisms: Denoising Progress Scores, which extract per-token importance weights from intermediate predictions at no additional forward cost, and Stratified Masking Likelihood, which partitions token positions into strata so that each token is predicted with most of the sequence as context, reducing the mean-field bias. Applied on top of three GRPO base methods, DACA-GRPO achieves consistent improvements across seven benchmarks spanning mathematical reasoning, code generation, constraint satisfaction, and constrained generation, with gains of up to 5.6pp on math reasoning, 7.4pp on code generation, 36.3pp on constraint satisfaction, and 5.9pp on JSON schema adherence.
Authors: Rui Fang, Hsi-Wen Chen, Ming-Syan Chen
Abstract: Looped language models (LoopLMs) improve parameter efficiency by recursively reusing Transformer blocks, enabling deeper computation under a fixed model size. However, this reuse makes LoopLMs more fragile under post-training quantization (PTQ). We present the first systematic study of quantization in LoopLMs and identify three challenges: distribution shift across roles, state reuse across loop transitions, and recursive error accumulation. To address these challenges, we propose LoopQ, a loop-aware PTQ framework that preserves a shared quantized backbone while introducing lightweight adaptations. LoopQ combines activation scaling, selective transformation, cross-loop state alignment, and trajectory-aware optimization to reduce distributional mismatch within loops and error accumulation across loops. Experiments across seven benchmarks show that, under W4A4 quantization, LoopQ improves average downstream accuracy by 68.8% and reduces average perplexity by 87.7% compared with the strongest static PTQ baseline.
Authors: Shijun Li, Kaiwen Dong, Xiang Gao, Joydeep Ghosh
Abstract: Large language models often require fine-tuning to better align their behavior with user intent at deployment. Existing approaches are commonly divided into online and offline paradigms. Online methods, such as RL-based alignment, can directly optimize outcome quality but typically rely on external reward models and iterative rollouts, making them costly and difficult to deploy in many cases. Offline methods are more efficient, but prevailing approaches such as supervised fine-tuning (SFT) and direct preference optimization (DPO) remain limited: SFT typically collapses graded feedback into binary supervision, while DPO depends on paired preference data that is often unavailable or expensive to construct. In this paper, we propose goal-conditioned supervised learning (GCSL) as an offline fine-tuning framework for LLMs. Our core idea is to treat feedback signals directly as an explicit goal and train the model, purely through supervised learning, to generate responses that achieve that goal. To better exploit graded feedback, we further introduce a novel goal formulation that defines learning as consistently pursuing outcomes above a target quality threshold, rather than imitating samples from a selected high-quality subset. This design mitigates the bounded-learning effect of SFT and classic GCSL by explicitly guiding the model to learn the directional progression of quality. We also propose natural-language goal representations to better leverage the semantic understanding and reasoning capabilities of LLMs. We evaluate our method on three tasks: non-toxic generation, code generation, and LLM for recommendation. Results show that our approach consistently outperforms standard offline fine-tuning baselines while retaining the efficiency, scalability, and simple data requirements of supervised learning.
Authors: Bingyu Yan, Xiaoming Zhang, Jinyu Hou, Chaozhuo Li, Ziyi Zhou, Xiaozhe Zhang, Litian Zhang
Abstract: LLM-based multi-agent systems (LLM-MAS) have become a promising paradigm for solving complex tasks through role specialization, tool use, memory, and collaborative reasoning. However, these interactions create new security risks that malicious instructions injected through messages, tools, or memories can propagate across agents and rounds, causing system-level compromise. Existing defenses largely rely on local filtering or graph-based anomaly detection, but they often fail to trace fine-grained propagation paths or remediate contaminated states without disrupting benign collaboration. We propose PropGuard, a propagation-aware framework for safeguarding LLM-MAS. PropGuard constructs a dual-view spatio-temporal graph that combines response-centric risk estimation with full-state evidence preservation. Guided by these risk priors, a GE-GRPO trained inspector sequentially explores the full-state graph to recover compact suspicious propagation subgraphs. PropGuard then verifies harmful propagation through subgraph-aware diagnosis and applies source-guided remediation to correct upstream contamination and replay affected downstream interactions. Experiments across four communication architectures and five attack settings demonstrate that PropGuard consistently lowers attack success while maintaining high task-level defense success, achieving a favorable effectiveness--efficiency trade-off.
Authors: Nourin Shahin, Izzat Alsmadi
Abstract: Modern scientific research increasingly depends on High-Performance Computing (HPC) infrastructures, yet many researchers face significant operational barriers when interacting with cluster environments, job schedulers, GPU resources, and parallel computing frameworks. General-purpose large language models (LLMs) provide useful coding assistance but often lack the domain-specific operational knowledge required for reliable HPC support. This paper presents HPC-LLM, a retrieval augmented and domain-adapted assistant designed to support common HPC workflows including Slurm scheduling, MPI execution, GPU utilization, filesystem management, and cluster troubleshooting. The proposed framework integrates automated documentation ingestion, dense retrieval, lightweight domain adaptation using QLoRA, and local inference within a modular orchestration pipeline. To support domain adaptation, we construct an HPC-oriented corpus from publicly available university HPC documentation, curated operational examples, and synthetic instruction-answer pairs generated from retrieved HPC content. The resulting dataset contains approximately 9,000 to 24,000 HPC-focused training examples spanning job scheduling, GPU computing, distributed training, storage systems, and cluster administration topics. We fine-tune Llama 3.1 8B using QLoRA and evaluate the resulting model against several open weight baselines under retrieval-augmented settings on JetStream2 infrastructure. Experimental results indicate that the adapted 8B model achieves performance comparable to substantially larger general-purpose models while operating under significantly lower GPU memory requirements and inference latency. In particular, the adapted model approaches the performance of Qwen 2.5 14B while requiring substantially fewer computational resources.
Authors: Kim Yong Tan, Yueming Lyu, Ivor Tsang, Yew-Soon Ong
Abstract: Training-free guidance enables pre-trained diffusion and flow models to optimize application-specific objectives using feedback from external black-box reward functions. However, existing methods are feedback-inefficient because reward feedback is used only transiently to inform a localized gradient approximation or a discrete search decision, and is subsequently discarded. To address this limitation, we propose Flow-Direct, a framework that guides the generation process via a persistent guidance field. Theoretically, this guidance field is analytically derived from the log-density ratio between the base and reward-weighted target distributions; it transports the pre-trained distribution to the target distribution. In practice, the field is implemented as a non-parametric estimator constructed from all accumulated reward-evaluated samples. As more samples are collected during optimization, this empirical guidance field becomes increasingly accurate. This persistent formulation yields two major advantages. First, Flow-Direct is highly feedback-efficient: because every evaluated sample is used to refine the global guidance field, no reward information is wasted. Second, the framework is naturally reusable: once optimization is complete, the collected dataset defines a reusable guidance field for generating novel target samples without additional reward evaluations, and distinct guidance fields can be combined to generate samples that simultaneously satisfy multiple objectives.
Authors: Feilong Liu
Abstract: Mixture-of-Experts (MoE) architectures achieve scalable capacity through sparse routing, yet the geometric structure of expert specialization remains poorly understood. We introduce a unified Jacobian-PCA-Grassmann framework for analyzing MoE layers in both function space and representation space. Across pretrained MoE Transformers (Mistral, Qwen), we find a consistent structural asymmetry: experts exhibit strong functional decorrelation (consistently low, near-zero cross-expert Jacobian alignment) while their routed representations occupy distinct but partially overlapping subspaces. This indicates that functional decorrelation and representation overlap coexist rather than coincide in MoE specialization. Controlled routing experiments further indicate that routing sparsity appears to be a key factor shaping this geometry: top-k routing induces sharper functional separation and larger subspace divergence, whereas fully soft routing yields more entangled expert structure. Together, these results suggest a geometric interpretation in which MoE layers may be viewed as implementing locally decorrelated operators over overlapping submanifolds on a shared representation manifold, and provide a general diagnostic framework for studying conditional computation in modern Transformer architectures.
Authors: Hong Chen, Pengcheng Wu, Yuanguo Lin, Peilin Zhao, Xiuze Zhou, Fan Lin, Han Yu
Abstract: We rethink Federated Learning (FL) from a nested learning perspective, framing the core challenge as how to collaboratively learn optimization rules, not just static models, to tackle Non-IID client data. To address this, we propose Federated Nested Learning (FedNL), a novel framework that reformulates FL as a three-level nested optimization system. FedNL embeds Titans-based linear attention into FL, enabling clients to perform lightweight, zero-shot test-time adaptation by treating a delta rule as an online gradient step. Experiments on Non-IID MMLU and long-context benchmarks show that FedNL achieves competitive performance in short-context reasoning, enhances the performance of long-context retrieval and streaming Cross-Entropy, and maintains constant inference memory.
Authors: Sangyoon Bae, Shinjae Yoo, Jiook Cha
Abstract: Scientific foundation models are expected to reuse representations under changes in dataset, acquisition protocol, and deployment domain, yet many sequence backbones treat scientific temporal structure as an unconstrained pattern to be fitted. We argue that this misses a central property of natural dynamical systems: neural and atmospheric time series are organized by interacting processes across multiple physical timescales, and failure to preserve this multiscale structure contributes to brittleness under distribution shift. We formalize this failure mode as temporal kernel mismatch, where a model fits in-distribution dynamics with an effective memory policy that is not anchored to the signal's physical timescales, leading to representation drift and degraded transfer. We propose Physics-Informed Multi-Scale Mamba (PIMSM), a state-space architecture that maps spectrum-estimated transition points between frequency regimes (knee frequencies) to scale-specific discretization parameters and anchors them to acquisition time units. On Human Connectome Project fMRI, PIMSM improves robustness and representation stability under severe temporal-context truncation, extreme low-resource transfer, and resting-state-to-task-state generalization. Without modality-specific adaptation, the same architecture also attains the lowest variable-wise MAE across all reported horizons and variables on Weather-5K held-out-station spatial out-of-distribution forecasting. These results support temporal-scale alignment as a practical inductive bias for scientific foundation models that must preserve structure, not only fit correlations, under deployment shift.
Authors: Jane Paik Kim
Abstract: Large language models (LLMs) are increasingly used as automated evaluators of AI systems, including in high-stakes applications. In this role, LLMs are used to generate judgments about the quality, appropriateness, or even safety of model outputs. This approach is motivated by practical constraints. Expert human ratings are costly and difficult to scale, whereas LLM ratings can be produced quickly at low cost. However, current approaches to deploying LLM evaluators are ad hoc, typically limited to reporting agreement metrics between human and LLM judges as a justification for substitution of human ratings, and lack a formal basis for study design. This paper (1) shifts the role of the LLM judge from substitutive to auxiliary, and (2) formulates the LLM-as-a-judge paradigm as one of augmenting human evaluation through a two-stage sampling design, where LLM evaluations are measured for all observations at the first stage and human ratings are partially observed for a subsample at the second stage. We propose to use a doubly robust estimator from the missing data literature, which takes advantage of the robustness property against the prediction model, since the missingness model is known by design. Using the asymptotic variance of this estimator, we propose how sample sizes of human and LLM ratings can be determined to achieve a targeted level of power. We also show that a study can be efficiently designed by allocating more human ratings for types of evaluations where the predictability of LLM ratings is not high. To the best of our knowledge, there is very little guidance on how much human oversight should be retained when validating benchmarks.
Authors: Mingtian Tan, Mihir Parmar, Palash Goyal, Chun-Liang Li, Nanyun Peng, Thomas Hartvigsen, Jinsung Yoon, Tomas Pfister
Abstract: Large Language Models (LLMs) are increasingly applied to forecasting. To evaluate this capability while mitigating pre-training data contamination, several living benchmarks have been proposed. However, existing benchmarks either lack the multidimensional events essential for accurate forecasting due to data scarcity, or focus on relatively closed environments. To assess the predictive capabilities of LLMs in complex, real-world scenarios, we propose LEAF, the first living benchmark for event-augmented forecasting tasks, including future event probabilities, trend and time series forecasting. LEAF utilizes a recursive retrieval agent system paired with dual-agent cross-validation to provide comprehensive and relevant auxiliary text for forecasting. Evaluating state-of-the-art proprietary and open-weight LLMs, we find that these models can leverage signals extracted from complex events to enhance predictive performance. In the stock domain, we find that LLMs achieve better performance on equities they confidently identify as more predictable. Furthermore, the events demonstrate a strong correlation with the target equities. To this end, LEAF provides a necessary, dynamically updating testbed to continuously track and drive progress in event-driven forecasting tasks.
Authors: Junjie Li, Jiong Lou, Jie Li
Abstract: Efficient long-context inference in Large Language Models (LLMs) is severely constrained by the Key-Value (KV) cache memory wall, yet existing pruning methods force a choice between low-latency heuristics that sacrifice precision and high-precision reconstruction methods that incur prohibitive prefilling overhead. To bridge this scoring-cost--accuracy gap, we propose ProxyKV, a cross-model proxy pruning framework that offloads importance scoring to a lightweight intra-family Small-Model Proxy executed asynchronously to the Large-Model Target. To bridge the architectural gap between heterogeneous models, we design the HybridAxialMapper, which disentangles temporal feature extraction from cross-head alignment, together with a Multi-Granularity Hybrid Loss that shifts the learning objective from rigid regression to relative ranking consistency. Across the Llama-3.1, Qwen-2.5, and Qwen-3 families spanning targets from 7B up to 32B parameters on LongBench, SCBench, and RULER, ProxyKV matches KVZip on aggregate (recovering $\sim$$98.7\%$ of its mean accuracy) while delivering up to a $3.21\times$ prefilling speedup on Llama-3.1-8B (dual-GPU; $\sim$$1.5\times$ shared single-GPU) and sustaining the speedup at contexts up to 170k tokens on Qwen-2.5-7B.
Authors: Xinyu Chen, HanQin Cai, Lijun Ding, Jinhua Zhao
Abstract: We present TailedTS, a large-scale benchmark dataset derived from Wikipedia hourly page view observations throughout 2024, specifically designed to test time series forecasting models under heavy-tailed, zero-inflated, and non-Gaussian conditions. The dataset comprises approximately 24.69 billion data points spanning roughly 3 million unique Wikipedia pages per month, stored in high-efficiency Apache Parquet format. Wikipedia traffic follows a pronounced power-law distribution where roughly 5% of pages account for over 70% of total page views, creating a natural and rigorous testbed for model robustness against extreme volatility that are absent from or underrepresented in existing benchmarks such as M4, M5, and UCI electricity datasets. TailedTS enables several research tasks. First, we introduce a periodicity quantification framework based on sparse autoregression with sparsity and non-negativity constraints, revealing that frequently-viewed pages exhibit significantly weaker periodic structure than their less-viewed counterparts, showing direct implications for server allocation and traffic forecasting on large digital platforms. Second, we provide standardized prediction benchmarks evaluated under a suite of non-Gaussian loss functions, including $\ell_1$-norm, Huber, quantile, and $\ell_p$-norm losses, demonstrating that standard Gaussian-based estimators degrade substantially on high-volume page categories, while robust alternatives provide consistent gains across all traffic scales. TailedTS is publicly available at https://doi.org/10.5281/zenodo.17070469.
Authors: John T. Robertson, Jianing Zhu, Haris Vikalo, Zhangyang Wang
Abstract: Activation steering offers a lightweight way to control LLMs without retraining, but its effectiveness varies sharply across concepts. Prior work often reads this variability as evidence that many concepts are not captured by a single steering direction. We argue instead that much of it reflects search difficulty: a useful rank-1 intervention often exists, but finding it can be expensive. We formalize rank-1 steering as a budget-constrained optimization over intervention layer and coefficient. Across concepts and model families, prompt-boundary directional alignment predicts where effective interventions occur, enabling geometry-guided search that reaches high utility with substantially fewer evaluations, reducing the trials needed to recover 95\% of best-found utility by 39.8\% on average across three model families. To explain why some concepts remain expensive even under better search, we introduce \emph{concept granularity}, a measure of directional heterogeneity across contrastive contexts. Granularity distinguishes concepts whose difference vectors share a stable global direction from those where prompts agree locally within each input but the utility-maximizing direction rotates systematically across inputs. Higher granularity is associated with slower convergence and lower best-found performance (Pearson $r{=}0.44$ with trials-to-95\%, $r{=}{-}0.46$ with best-found utility, both $p<0.001$). We present \textit{GRACE}, a Granularity- and Representation-Aware Concept Engineering framework that uses activation geometry to diagnose the dominant source of steering difficulty, select the appropriate remedy, and allocate optimization effort efficiently. Our results shift the frame from ``\textit{when does rank-1 fail?}'' to ``\textit{when is rank-1 cheap and stable?}'', turning activation geometry from a descriptive tool into an actionable prior for LLM control.
Authors: Wenbo Gao, Songbai Tan, Zhongan Wang, Fei Shen, Gang Xu, Huiping Zhuang, Yunyun Yang, Ming Li, Xiaofeng Zhu
Abstract: Smartphone scams are increasingly prevalent and typically manifest as multi-stage, cross-application processes with gradually emerging intent. Effective intervention thus requires anticipating scams before the intent becomes explicit. This is inherently challenging, as decisions must rely on partial trajectories with temporally distributed evidence. In this paper, we propose \textbf{ORACLE} Online Reasoning for Anticipating Cross-temporal Latent thrEats, the first agentic framework for early scam anticipation from \textit{streaming app-usage} trajectories. To support this setting, we curate a real-world long-horizon benchmark of streaming app-usage trajectories, covering 12 scam types, spanning extended periods (15 days on average), involving diverse applications (95 apps), and interleaving normal and scam behaviors. To address fragmented evidence, we introduce a self-evolving context manager that adaptively consolidates entity-centric interactions over time, enabling more effective reconstruction of cross-temporal evidence from partial observations. To enhance sensitivity to latent early-stage signals, we propose an on-policy self-distillation scheme in which a teacher model, conditioned on summarized anti-scam reflections and clues by skills, supervises a student model without access to such reflections. This scheme thereby distills evidence-informed knowledge and improves recognition of emerging fraud patterns from partial trajectories. Experiments show that \method{} consistently improves early scam anticipation, yielding timely warnings while reducing false alerts in realistic streaming scenarios.
Authors: Mehrab Mahdian, Marko Lehes, Katrin Krolov, Tamas Pardy
Abstract: Early identification of individuals at elevated risk of Chlamydia trachomatis infection may enable optimal use of molecular testing in resource-aware screening. We evaluate the feasibility of pre-test risk stratification (PTRS) using machine-learning models trained on routinely available, non-invasive clinical data. A curated dataset of 93 urine samples with PCR reference labels was analyzed using three feature groups: patient-reported history and symptoms, urine biomarkers from standard urinalysis, and their combination. Five supervised classifiers were evaluated using stratified 5-fold cross-validation with out-of-fold probability estimates. Performance was assessed using area under the receiver operating characteristic curve (AUC) and threshold-dependent metrics, with uncertainty quantified via bootstrap confidence intervals. Models using only patient-reported data showed moderate discrimination (AUC up to 0.72). Urine biomarker-based models demonstrated slightly lower peak discrimination but more consistent performance, with ensemble methods yielding the strongest results. Combining feature groups marginally increased the peak AUC and reduced performance variability across models, indicating improved robustness. Findings indicate that urine biomarkers provide a reliable predictive signal for PTRS that is complementary to patient-reported information, while feature integration enhances robustness. This work supports the integration of non-invasive, routinely available information for PTRS into screening workflows, including decentralized or home-based PCR contexts, to optimize testing prioritization.
Authors: Katarzyna Filus, Kamil Faber, Roberto Corizzo, Christopher Kanan
Abstract: Continual learning studies how models can adapt to new tasks while retaining previously acquired knowledge. Although a broad spectrum of methods has been proposed to mitigate catastrophic forgetting, the field remains predominantly performance-driven, with limited insight into what forgetting actually corresponds to within the vision model's representation space. Prior work has primarily analyzed forgetting through task-level performance or coarse measures of representational drift, without disentangling output-level accessibility from changes in finer-grained internal structure. To this end, we propose a diagnostic framework that leverages Sparse Autoencoders (SAEs) to define a task-anchored latent feature space, enabling analysis of how task-specific information evolves at a finer granularity, where individual SAE latents are treated as concept proxies for recurring and relatively disentangled visual patterns in the model's internal computations. Within this framework, we decompose forgetting into apparent concept deletion, recoverability, and decodability. We show that a large portion of seemingly lost concept-level information can often be recovered under linearity assumption, with concept decodability degrading as more tasks are introduced. Overall, our findings suggest that a significant part of concept-level forgetting can be attributed to changes in the representational accessibility rather than complete information erasure.
Authors: Manjil Nepal, Kimsie Phan, Tamoghna Ojha, Aritra Dutta, M Krishna Siva Prasad
Abstract: Accurate air quality prediction is essential for public health, environmental monitoring, and industrial safety. However, most existing approaches rely on centralized learning paradigms, which introduce challenges related to scalability, privacy preservation, and communication overhead in distributed Internet of Things (IoT) environments. Moreover, current federated learning (FL) based solutions predominantly utilize unimodal data, limiting their capability to capture complex environmental patterns. To address these limitations, we propose M$^2$FedAQI, a lightweight multimodal federated framework for decentralized Air Quality Index (AQI) prediction across heterogeneous edge devices. The proposed framework integrates visual and tabular modalities through a feature modulation based fusion mechanism that enables efficient cross-modal interaction while maintaining low computational overhead. M$^2$FedAQI is evaluated on two benchmark datasets, PM25Vision and TRAQID, for both classification and regression tasks under centralized and federated settings. Experimental results demonstrate that M$^2$FedAQI consistently outperforms existing approaches, achieving improvements of up to 11.0\% in Accuracy, 3.53\% in AUC, 12.2\% in F1-score, and 18.0\% in $R^2$, while reducing MAE and RMSE by up to 25.4\% and 20.4\%, respectively, compared with the strongest baselines. Furthermore, deployment on heterogeneous edge devices demonstrates efficient resource utilization in terms of communication overhead, memory footprint, and computational cost. To enhance communication security, TLS-based authentication is incorporated to ensure secure client participation and protect the FL communication channel from unauthorized third-party access without modifying the underlying FL protocol.
Authors: Suvadip Sana, Sami Wolf, Neer Mehta, Alina Shah, Aitzaz Shaikh, Janna Goodman, Lionel Levine
Abstract: Masked language models (MLMs) define local conditional distributions over tokens but do not, in general, correspond to any consistent joint distribution over sequences. This raises a fundamental question: what global distributional behavior is induced when such conditionals are used iteratively for generation? We address this question by modeling iterative masked-token resampling as a Glauber dynamics Markov chain on the discrete space of token sequences. We first show that MLM conditionals are intrinsically incompatible: we introduce a rectangle test that certifies this incompatibility and empirically verify its prevalence across modern MLMs. We then provide a theoretical analysis of the induced Markov chain. Under bounded cross-token influence, we establish a high-temperature contraction result implying $O(n\log n)$ mixing time where $n$ is the sequence length. In contrast, we prove that under a uniform local margin condition, the chain exhibits metastability, with exponentially slow escape from semantic basins at low temperatures. Empirically, we demonstrate a phase transition in mixing behavior as a function of temperature and sequence length, consistent with the theoretical predictions. We further characterize the induced stationary behavior through semantic trajectories, identifying persistent structures such as long-lived traps and recurrent semantic basins, with political content serving as a measurable case study.
Authors: Hanyu Li, Zhengqi Sun, Xiaotie Deng
Abstract: Synthetic data becomes crucial for large language model training, but its effectiveness is highly inconsistent. We provide an information-theoretic account of this inconsistency: synthetic data improves a model only when the generation-training loop is information-open, i.e., shaped by external signals (verifiers, environments, or rubrics) that inject task-relevant information beyond the model's current distribution. When the loop is information-closed (relying on the model's own outputs without such signals), the data processing inequality ensures that task-relevant information can only decrease, making collapse a predicted outcome. Among information-open pipelines, both efficiency and generalization hinge on the meta-level of supervision: a coarser signal such as binary correctness treats all acceptable outputs as equivalent, so the behavior it teaches is not tied to any particular domain or surface form and generalizes naturally across tasks and domains. These observations lead to a guiding thesis: learning preferentially converges to the most information-efficient signal component available, which accelerates learning when that component is the intended one, but causes reward hacking when a spurious pattern happens to be simpler.
Authors: Jinwoong Kim, Sangjin Park
Abstract: Clinical time-series data are difficult to model with methods designed for regular sequences because they exhibit irregular sampling, frequent missing values, and heterogeneous observation patterns across variables. Existing approaches commonly use observation masks and time-gap information, but they do not continuously capture the decaying reliability of past observations or consistently organize multi-resolution information within a coherent temporal context during aggregation. To address these limitations, we propose Reliability-aware Temporal Aggregation with Mamba (ReTAMamba), which reconstructs clinical time series as time-variable token sequences, estimates observation reliability from missingness and elapsed time, and augments interval summaries with statistical descriptors. Chronological Weaving is used to integrate short- and long-term temporal information within a coherent temporal context, and a budgeted token router is applied to constrain sequence length while preserving informative summaries. Experiments on MIMIC-IV, eICU, and PhysioNet 2012 show that ReTAMamba consistently improves AUPRC over strong baselines, with average relative gains of 7.51%, 7.80%, and 10.15%, respectively. Cohort-level and patient-level analyses on eICU further showed that the learned mean decay for more dynamic signals, such as heart rate and blood pressure, was 24.3% larger than that for relatively static signals, such as laboratory test variables. These findings suggest that effective prediction in irregular clinical time series requires modeling not only what was measured, but also when and how it was observed, including information freshness and observation timeliness.
Authors: Abraham Itzhak Weinberg
Abstract: We introduce \textbf{QuantFPFlow}, a reinforcement learning framework that integrates quantum amplitude estimation into the Fokker--Planck~(FP) formulation of stochastic policy optimisation. Classical continuous-space RL agents must estimate the FP partition function $Z = \int e^{-V(\mathbf{x})/D}\,d\mathbf{x}$ at cost $\calO(1/\varepsilon^{2})$; QuantFPFlow replaces this with a Grover-amplified amplitude estimator achieving $\calO(1/\varepsilon)$ -- a provable quadratic speedup. While the full quantum acceleration requires fault-tolerant hardware, the quantum-inspired classical simulation demonstrated here already exhibits the $\calO(1/\varepsilon)$ algorithmic structure. The estimated stationary distribution $\rhostar$ drives a theoretically grounded exploration bonus $\Raug = \Renv + \alpha\log(1/\rhostar(s))$. This bonus steers the agent toward globally optimal regions of multimodal reward landscapes while simultaneously constraining policy variance through FP diffusion matching. On a continuous-control task specifically designed to expose local-optima failure, QuantFPFlow achieves mean reward $1{,}295.7 \pm 423.2$ versus $1{,}284.0 \pm 474.0$ for Soft Actor-Critic~(SAC), while discovering the global optimum \textbf{10.4\,\% more frequently} (33.9\,\% vs.\ 30.7\,\%). Policy entropy remains near $H(\pi)\approx 6.5$\,nats throughout training, whereas SAC collapses to $1.5$\,nats, confirming that FP diffusion matching actively prevents premature convergence. Dimensionality experiments further show computational scaling of $\calO(d^{0.35})$ for QuantFPFlow versus $\calO(d^{0.76})$ for classical FP estimation.
Authors: Sophie Hao, William Merrill
Abstract: Scaling LLMs requires tremendous computational resources, and recent advances in AI have gone hand in hand with massive amounts of capital expenditure. While it is established that scaling up LLMs reliably increases model quality (quantified in terms of loss or downstream evaluations), it is unclear how these quality improvements translate to potential revenue, and whether revenue increases would offset costs of larger-scale training and inference. In this work, we develop an economic model for characterizing the rational behavior of an LLM training firm by combining scaling laws with microeconomic theory. Under our model of firm behavior, LLM quality can be increased with more parameters and training tokens, leading to more potential adoption by consumers, who each have a quality threshold for using the LLM. On the other hand, additional parameters and training tokens both incur additional costs. We analyze the profit maximization problem for this model under compute-bound and data-bound regimes. In the compute-bound regime, optimal model size and token budget track hardware efficiency $E$ (FLOPs/\$) at a near-linear rate; total training cost then scales sub-quadratically in $E$. Data efficiency improvements incentivize larger models and training expenditure. When we are limited to $D$ data, profit-optimal training expenditure scales as $D^2/E$, i.e, increase with data and decreases with hardware efficiency (as well as data efficiency). Finally, we analyze practical trends in training expenditure: current trends are consistent with our most permissive model variants in the compute-bound regime, but are not profit-optimal in the data-bound regime or assuming hardware advances will stall. Overall, our results provide a theory of profit-optimal LLM training, providing a foundation for engaging critically with industry statements and supporting long-term economic decision making.
Authors: Mohammadhossein Ghahramani, Yan Qiao, Mengchu Zhou
Abstract: Task allocation in smart manufacturing systems needs to operate under decentralized decision-making, dynamic workloads, and shared resource constraints. In circular manufacturing settings, these challenges are further intensified by the need to balance operational efficiency with resource and energy sustainability. While learning-based approaches have been explored, many focus on predicting absolute performance metrics that do not necessarily translate into improved allocation outcomes, since decentralized assignment is governed by the relative ordering of candidate machines. This work proposes an Edge-AI-driven decentralized task allocation framework based on ranking-aware negotiation, where lightweight decision intelligence is embedded at the machine level to enable low-latency coordination without centralized control. The framework is developed progressively: a resource-aware heuristic first establishes the decentralized bidding structure, an Edge-AI-based regression model then provides learned local bid approximation, and a ranking-aware formulation finally reshapes the learning objective to align with the ordering-based nature of winner selection. Each machine evaluates incoming tasks using local information, including processing capability, queue state, and resource contention. The framework is evaluated via discrete-event simulation under high-load and tight-deadline scenarios using delay, deadline violations, throughput, and energy consumption. Results show improved delay and deadline adherence under high load, and enhanced energy efficiency under tighter constraints, leading to more resource-efficient operation aligned with circular manufacturing objectives. These findings demonstrate that aligning learning objectives with decentralized decision structures is critical for effective negotiation-driven task allocation.
Authors: Adis Alihod\v{z}i\'c
Abstract: Heatwaves are an important problem in cities, and climate change makes this problem more difficult. In this paper, we present a GPU-based deep learning framework for next-day prediction of urban thermal conditions and for heat risk assessment. The study was carried out in Sarajevo by using MODIS land surface temperature data and Open-Meteo forecast data. We tested several models, including convolutional models and spatiotemporal models. Among them, ConvLSTM with a mixed loss function gave the best results. The obtained values were MAE = 0.2293, RMSE = 0.3089, and R2 = 0.8877. The experiments also showed that results can be improved by using longer temporal series and additional meteorological variables. Since the framework was implemented on a GPU and trained with mixed precision, the execution time was reduced. Based on the predicted temperature fields, it was also possible to combine hazard information with exposure and vulnerability data in order to generate city heat risk maps. The proposed framework can be used as a practical basis for city heat analysis.
Authors: Andras Ferenczi (American Express Co), Sutapa Samanta (American Express Co), Dagen Wang (American Express Co), Jason Qizhe Qin (Columbia University)
Abstract: Federated Learning (FL) trains a global model across decentralized clients while preserving data privacy, but at scale it is vulnerable to malicious updates. Byzantine-resilient aggregation methods such as MultiKrum score gradients against their nearest neighbors and can miss malicious updates that preserve the statistical properties of honest ones. We propose a quantum annealing approach that reformulates client selection as a Quadratic Unconstrained Binary Optimization (QUBO) problem, encoding pairwise distances into a cost function solved by quantum annealers (QA). Unlike MultiKrum's greedy per-client scoring, the QUBO formulation jointly optimizes over all subsets to find the mutually closest group of $m$ clients. At small scale (15 clients), QUBO outperforms MultiKrum on the most challenging Byzantine attacks: e.g., Advanced LIE is detected with 95.11% accuracy versus 81.33% on MNIST and 97.78% versus 75.56% on CIFAR-10. QUBO fares poorly on simpler attacks where MultiKrum excels, so the two methods are complementary. QUBO quality also degrades as the number of clients grows. To address this, we introduce a MultiSignal ensemble that uses a dual-feature routing gate based on Euclidean and cosine Krum score gaps to classify attacks into four regimes and routes evasion attacks to a suspicion-penalized QUBO with agreement voting. At 100 clients on MNIST, MultiSignal achieves 95.3% average detection accuracy versus 91.8% for classical MultiKrum, with the largest gains on Sparse Lie (72.0% to 95.2%, +23.2 points) and Advanced Lie (80.4% to 85.2%, +4.8 points). These results show that QUBO-based quantum annealing with MultiSignal is a principled and scalable defense against the most challenging Byzantine strategies in federated learning.
Authors: Jiahui Li, Ruili Fang, Zishuai Liu, WenZhan Song, Jin Lu, Fei Dou
Abstract: Beat-level Electrocardiography (ECG) arrhythmia detection aims to assign an arrhythmia class to each beat in a recording, yet many existing systems treat beats as isolated local instances. This is limiting because beat labels often depend on multi-beat rhythm context, including timing, compensatory pauses, and beat-to-beat morphological consistency. We present DeepArrhythmia, a tool-grounded multimodal framework for segment-contextualized beat-level ECG arrhythmia classification. Given a multi-beat ECG segment, DeepArrhythmia combines the raw ECG signal and a rendered waveform image, localizes R peaks to identify beat instances, and produces structured beat-level predictions. The framework decouples physiological measurement from evidence integration using specialized tools for beat localization, numerical rhythm--morphology extraction, and morphology-focused textual analysis. DeepArrhythmia uses segment-level confidence to route between minimal and rich evidence states, since richer physiological evidence is not uniformly useful. This agentic design integrates rhythm context, explicit physiological grounding, and selective evidence acquisition for decision making.
Authors: Jayakrishna Amathi, Venkata Prasanth Yanambaka, Saraju P. Mohanty, Elias Kougianos
Abstract: Despite the success of deep neural networks in vision, medical diagnosis, and IoT scenarios, their deployment on resource-limited platforms poses serious challenges due to their high storage requirements, computational complexity, and large footprint. In particular, fully connected layers require a large number of weights, making it difficult for edge devices to accommodate them. To overcome these challenges associated with limited platforms, this paper proposes the Two-Valued Symmetric Circulant Matrix (TVSCM), a very sparse architecture that employs just two weights per layer to keep it circulant and symmetric. The extreme form of structured sparse architecture provides negligible storage costs compared to traditional full-weight storage. Instead of hardware and additional stages of other traditional sparse learning techniques, such as low-rank approximation and pruning approaches, this architecture provides an extreme form of sparsity, achieving very minimal storage requirements. The simulation study demonstrates more than 80$\times$ reduction in model parameters, reducing parameters from 623,290 to 7,852 on MNIST and from 24,709 to 942 on the MIT-BIH arrhythmia dataset, while maintaining comparable accuracy from 97.6% to 93.5% on MNIST and from 97.6% to 93.1% on MIT-BIH. Due to its minimal architectural requirements and very low power consumption, this architecture would be ideal for edge computing platforms, tiny-ML platforms, IoMT systems, and battery-powered systems.
Authors: Shailesh Kasivelrajan
Abstract: Masked Diffusion Language Models MDLMs replace autoregressive generation with iterative demasking and their privacy properties are largely unstudied. We study membership inference attacks MIA on fine tuned MDLMs and show they are significantly more vulnerable than current grey box baselines suggest. We extract a 46 dimensional feature vector from the models reconstruction loss at four masking ratios and train XGBoost and MLP classifiers on top. On the MIMIR benchmark across six text domains XGBoost achieves mean AUC 0.878 peaking at 0.930 on Pile CC and beats the SAMA grey box baseline by 0.062 AUC on average. A leave one signal out ablation shows that the ELBO trajectory alone drives most of this with a mean drop of 0.130 when removed while attention features add almost nothing below 0.003. We also design a shadow model transfer attack where K equals 3 surrogate MDLMs trained on data from unrelated domains generate classifier labels with no access to the target domain. This achieves 0.858 mean AUC within 0.020 of the white box oracle and establishes shadow model transfer as a practical and near equally effective attack path.
Authors: Hangchun Liang, Changchun Li
Abstract: Semi-supervised learning (SSL) enables prediction with limited labels, but high-stakes tabular applications (medical, credit, recidivism) require statistical fairness guarantees. We identify a structural conflict in tabular fair SSL through a diagnostic stress test: under confidence-gated pseudo-labeling, moment-matching fairness regularizers can trigger two failure modes -- Masking Collapse (fairness erodes confidence, starving pseudo-labels) and Trivial Saturation (drift to constant predictors). We propose Online Primal-Dual Allocation (OPDA), an online controller that schedules fairness and entropy-based stability penalties using violation, risk, and pseudo-label health signals, avoiding per-dataset selection of a fixed fairness weight within this diagnostic regime. On the evaluated tabular benchmarks (Adult, ACSIncome, COMPAS), OPDA mitigates the degenerate regimes observed under static weighting and simple single-signal adaptive baselines. On Adult and COMPAS, it yields non-degenerate operating points competitive with the empirical static-$\lambda$ frontier; on ACSIncome, it preserves utility with a wider fairness-utility spread. Relative to OPDA-lite, the full controller mainly shifts the operating point toward higher utility on ACSIncome, while Adult highlights the fairness-utility trade-off between the two variants. These results position OPDA as a calibration-free controller for non-degenerate operating points in tabular fair SSL without per-dataset tuning.
Authors: Yinghao Ai, Yukai Zhou, Ruoxi Jiang, Junyi An, Chao Qu, Zhijian Zhou, Shiyu Wang, Fenglei Cao, Zenglin Xu, Furao Shen, Yuan Qi
Abstract: Spatiotemporal forecasting is critical for real-world applications like traffic management, yet capturing reliable interactions remains challenging under noisy and non-stationary conditions. Existing methods primarily rely on historical spatial priors, often failing to account for evolving temporal correlations and suffering from systematic errors. In this work, we propose a nested forecasting framework that couples future macro-level regional trends with micro-level historical observations, enabling top-down guidance from abstract future representations for fine-grained forecasting. Specifically, we employ a spectral clustering-based approach to construct semantically coherent regions, providing both theoretical and empirical evidence that this representation effectively filters systematic noise while preserving essential trends. Building on this, we develop a progressive coarse-to-fine predictor to integrate these representative features into the inference process. This enables the model to leverage trend predictions to anticipate dynamic anomalies, such as periodic offsets, in advance. Furthermore, extensive experiments on multiple high-dimensional datasets demonstrate that our method consistently outperforms state-of-the-art baselines, validating the effectiveness of future macro-guided nested forecasting.
Authors: Hua Wang (School of Computer and Artificial Intelligence, Ludong University, Yantai, Shandong 264025, China), Xianhao Jiao (School of Computer and Artificial Intelligence, Ludong University, Yantai, Shandong 264025, China), Fan Zhang (School of Computer Science and Technology, Shandong Technology and Business University, Yantai, Shandong 264005, China)
Abstract: Deep forecasting models often suffer from attenuated periodic perception and entangled trend-noise representations as network depth increases. Moreover, the widely adopted channel-independent paradigm, while improving training stability, disrupts intrinsic dynamic coordination among variables, hindering the modeling of cross-variable consistency in multivariate time series. To address these issues, we propose PESD-TSF, a physics-inspired structured decomposition framework for long-term time series forecasting that jointly emphasizes interpretability and predictive accuracy. PESD-TSF introduces three key designs. First, a Multiplicative Periodic Gating mechanism incorporates continuous-time priors to dynamically modulate signal amplitudes, preserving periodic structures across deep layers. Second, a multi-scale structured encoder integrates detrended attention with hierarchical sampling to explicitly decouple long-term trends from high-frequency variations while retaining fine-grained temporal semantics. Third, to recover disrupted inter-variable dependencies, we propose Cross-Scale Collaborative Attention (CSCA) together with an RLC regularization scheme, which reconstructs global inter-variable topology in deep feature spaces and enforces physically consistent collaboration through orthogonality and consistency constraints. Extensive experiments on benchmark datasets from multiple domains demonstrate that PESD-TSF consistently achieves state-of-the-art performance, with particularly strong gains on multivariate forecasting tasks involving complex inter-variable coupling, highlighting its superior structural modeling capability and generalization.
Authors: Jongho Yoon, Jinsung Jeon, Seokhyeong Kang
Abstract: Macro placement is a pivotal stage in VLSI physical design, fundamentally determining the overall chip performance. Recent data-driven placement methods have demonstrated significant potential, yet they often struggle to handle sequential dependencies and to balance topological connectivity with physical constraints. To bridge this gap, we propose MacroDiff+, a physics-guided geometric diffusion framework. Specifically, we design a dual-domain denoising architecture that couples topological connectivity encoded by heterogeneous GNNs with global geometric context modeled by a Transformer. Furthermore, we introduce Physics-Guided Sampling, an inference strategy that actively steers the generation using explicit gradients to ensure both statistical plausibility and physical validity. On the ISPD2005 MMS benchmarks, MacroDiff+ outperforms state-of-the-art baselines with a 6.1-6.2% reduction in wirelength. Notably, it exhibits superior stability and scalability on large-scale designs where prior methods fail to converge. The source code is available at https://github.com/jhy00n/MacroDiff-plus.
Authors: Jiahui Li, Yida Zhang, Zixuan Zeng, Jiayu Chen, Yingjian Song, Yin Xiao, Nishan Dong, Junjie Lu, Younghoon Kwon, Xiang Zhang, Jin Lu, Wenzhan Song, Fei Dou
Abstract: Accurate peak detection across diverse cardiac physiological signals, including the Electrocardiogram (ECG), Photoplethysmogram (PPG), Ballistocardiogram (BCG), and Bodyseismography (BSG), is fundamental for cardiovascular monitoring but is often hindered by artifacts and signal variability. Conventional algorithms are typically engineered with expert knowledge for a single signal modality, limiting their generalizability. Conversely, deep learning-based methods often lack interpretability, limiting transparency for expert verification and hindering expert-computer interaction. To address these limitations, we introduce Peak-Detector, a novel framework that leverages instruction-tuned Large Language Models (LLMs) for robust, cross-modal, and explainable peak detection. A core innovation of our framework is a "peak-representation" technique that transforms time-series data into a condensed format, preserving critical event information while significantly reducing signal length. This representation provides a crucial inductive bias, guiding the LLM to reason over physiologically meaningful events rather than raw, noisy data. The model is optimized through a two-stage process: supervised fine-tuning (SFT) followed by reinforcement learning (RL) with a multi-objective reward function. The model's self-explanation capabilities are cultivated by fine-tuning on a custom-built Peak-Explanation dataset. Across four modalities-ECG, PPG, BCG, and BSG-spanning seven datasets (six public benchmarks plus one real-world cohort), Peak-Detector demonstrates strong cross-modal performance, achieving best or tied-best detection under clinically relevant temporal tolerance. Beyond accuracy, the generated rationales surface failure modes and support verification and error analysis.
Authors: Emir Kaan \"Ozdemir
Abstract: Seismic prediction remains challenging due to the highly nonlinear and chaotic dynamics of earthquake signals. While classical deep learning models such as LSTMs and CNNs capture local temporal features, and quantum models offer richer state representations, their integration with chaos-driven mechanisms is underexplored. We introduce QuChaTeR, a hybrid architecture that combines wavelet-based preprocessing, chaotic maps, and variational quantum circuits with recurrent structures to enhance temporal feature extraction. Implemented in PyTorch and PennyLane, QuChaTeR is benchmarked against classical (LSTM, GRU, RNN, 1D-CNN, Reservoir Computing) and quantum-inspired (Quantum LSTM) baselines. On real-world seismic datasets, QuChaTeR consistently converges faster and achieves superior performance across multiple evaluation criteria. Despite promising results, scalability and quantum hardware limitations remain challenges. Overall, this work demonstrates how quantum-chaotic hybridization provides a practical pathway toward more accurate and robust earthquake prediction.
Authors: Youngin Kim (Interdisciplinary Program in Artificial Intelligence, Seoul National University), Ray Sun (Department of Computer Science and Engineering, Seoul National University), Inho Kim (Department of Computer Science and Engineering, Seoul National University), Bumsoo Park (KRAFTON), Hyun Oh Song (Interdisciplinary Program in Artificial Intelligence, Seoul National University, Department of Computer Science and Engineering, Seoul National University)
Abstract: Transformer-based world models have shown strong performance in visual reinforcement learning, but often suffer from temporal inconsistency in long-horizon rollouts, including object duplication, disappearance, and transmutation. A key reason is that most existing approaches treat next-frame prediction purely as a token generation problem, without explicitly modeling correspondence between tokens across time. We formulate next-frame prediction as a structured probabilistic inference problem with latent token correspondence variables, deriving a model in which each next-frame token is explained either by copying a token from the previous frame or by generating a new token. Our experiments show state-of-the-art performance on 4 challenging benchmarks. The proposed method achieves a return of 72.5% and a score of 35.6% on the Craftax-classic benchmark, significantly surpassing the previous best of 67.4% and 27.9%. We release our source code on https://github.com/snu-mllab/Identifiable-Token-Correspondence.
URLs: https://github.com/snu-mllab/Identifiable-Token-Correspondence.
Authors: Jing Gao, Zhong-Yi Lu, Pan Zhang, Ze-Feng Gao
Abstract: Adapting large language models (LLMs) to downstream tasks via full fine-tuning is increasingly impractical due to its computational and memory demands. Parameter-efficient fine-tuning (PEFT) approaches such as Low-Rank Adaptation (LoRA) mitigate this by confining updates to a compact set of trainable parameters, but this aggressive reduction often sacrifices generalization, especially under transfer across heterogeneous tasks and domains. We revisit the tension between parameter efficiency and adaptation capacity, and ask whether the two are truly at odds. We answer in the negative by introducing LoRA-Over, a framework grounded in a simple principle: enrich the optimization landscape during training, then collapse the enrichment at inference. LoRA-Over injects auxiliary parameters into the low-rank adapters during training to broaden the effective hypothesis space, and through a decomposition-based reformulation folds them back into a standard low-rank structure with negligible reconstruction error, keeping inference cost identical to vanilla LoRA. Since not all weight matrices benefit equally from added capacity, we further propose two scheduling strategies, one statically predefined and one dynamically determined at runtime, that direct extra capacity where most needed. We evaluate LoRA-Over on language understanding (GLUE, T5-Base), dialogue (MT-Bench), arithmetic reasoning (GSM8K), and code generation (HumanEval), using LLaMA 2-7B and LLaMA 3.1-8B. Across all benchmarks and scales, LoRA-Over consistently outperforms vanilla LoRA, showing that principled over-parameterization designed to vanish at inference is an effective lever for improving PEFT generalization. Code will be released upon acceptance.
Authors: Mengye Ren
Abstract: What does it mean to create a new concept, rather than retrieve a familiar one? Repeatedly sampling a generative model at the same prompt produces variations with similar styles and typical content. We propose that creativity is the production of stimuli that are unfamiliar to an adaptive observer at first sight, but quickly learnable from a few exposures. We formalize this as a Creator-Appraiser pair: a Creator generates a candidate, an Appraiser adapts to it for a few inner-loop learning steps, and the Appraiser's improvement becomes the reward the Creator optimizes through. We instantiate the framework with diffusion as the Creator, an autoencoder Appraiser on MNIST, and a CLIP Appraiser with a low-rank adapter for natural images. The diffusion model remains frozen with no additional language conditioning; the meta-learning gradient is enough to produce both stylistic variations and concept compositions that the base model does not generate on its own.
Authors: Zeji Yi, Chaoyi Pan, Guanya Shi, Guannan Qu
Abstract: Sampling-based optimization (SBO), like cross-entropy method and evolutionary algorithms, has achieved many successes in solving non-convex problems without gradients, yet its convergence is poorly understood. In this paper, we establish a non-asymptotic convergence analysis for SBO through the lens of smoothing. Specifically, we recast SBO as gradient descent on a smoothed objective, mirroring noise-conditioned score ascent in diffusion models. Our first contribution is a landscape analysis of the smoothed objective, demonstrating how smoothing helps escape local minima and uncovering a fundamental coverage-optimality trade-off: smoothing renders the landscape more benign by enlarging the locally convex region around the global minimizer, but at the cost of introducing an optimality gap. Building on this insight, we establish non-asymptotic convergence guarantees for SBO algorithms to a neighborhood of the global minimizer. Furthermore, we propose an annealed SBO algorithm, Diffusion-Inspired Dual-Annealing (DIDA), which is provably convergent to the global optimum. We conduct extensive numerical experiments to verify our landscape results and also demonstrate the compelling performance of DIDA compared to other gradient-free optimization methods. Lastly, we discuss implications of our results for diffusion models.
Authors: Kyrie Zhao, Zehong Wang, Tianyi Ma, Fang Wu, Xiangru Tang, Pietro Lio, Sheng Wang, Yanfang Ye
Abstract: Hypergraphs model higher-order relations that drive real-world decisions, from drug prescriptions to recommendations. A central structural signal in such data, beyond what pairwise relations can express, is interaction compositionality: whether a higher-order relation is compositional, emergent, or inhibitory with respect to its observed or unobserved sets. In polypharmacy, the regime decides whether a drug should be dropped, kept, or excluded: a compositional drug triple can be safely simplified, an emergent triple requires all drugs jointly, and an inhibitory triple flags a drug that disrupts an existing interaction. However, existing hypergraph learning methods, which merely propagate messages over observed hyperedges, leave this compositional signal unmodeled, allowing dangerous drug combinations to slip through and be misclassified. To this end, we propose the Hypergraph Pattern Machine (HGPM), shifting the paradigm from message passing to learning the compositional pattern of subsets. It tokenizes compositional subsets, organizes them in an inclusion DAG, and trains an inclusion-aware Transformer under masked reconstruction. On ten hypergraph benchmarks, HGPM matches or exceeds state-of-the-art methods. Notably, in a real adverse-event prediction case, HGPM correctly identifies the drug addition that inhibits the side effect among feature-identical candidates, a discrimination existing methods cannot make. The code and data are in https://github.com/KryieZhao/HGPM.git.
Authors: Qiangwei Peng, Lezhi Chen, Peijie Zhou
Abstract: Unbalanced optimal transport (UOT) provides a principled framework for modeling single-cell transitions and birth-death dynamics, but its high computational cost limits scalability to large-scale datasets. Although single-cell data often contain hierarchical annotations and known transition priors, existing UOT approximations rarely exploit this multiscale structure or prior knowledge. We introduce Multiscale Supervised Unbalanced Optimal Transport Flow Matching (MUST-FM), a simulation-free framework that scales UOT by leveraging hierarchical data structure. MUST-FM further supports an optional supervised formulation that incorporates transition priors, such as cell lineages, to guide the learning of displacement fields and mass variations. Experiments show that MUST-FM reduces computational overhead while achieving robust and biologically meaningful trajectory inference, enabling dynamic modeling of atlas-scale single-cell datasets.
Authors: Mehrzad Khosravi, Max Kleiman-Weiner, Hema Yoganarasimhan
Abstract: Many consumer decisions are repeated choices under uncertainty. Standard models capture these decisions using Bayesian learning and dynamic programming: consumers update beliefs from feedback and use those beliefs to guide future choices. In many markets, however, learning does not restart when consumers enter a new context: prior experience with a brand, product, or provider can shape beliefs in later, related decisions. We study this cross-context knowledge transfer, or meta-learning, in sequential choice. We design a hierarchical laboratory task in which participants repeatedly choose among airlines across routes and observe noisy binary outcomes. Reduced-form evidence shows that participants improve not only within routes, but also across routes: they choose better airlines earlier in later routes and reduce pseudo-regret. To identify the mechanism behind this transfer, we compare human choices to a no-transfer benchmark and a fully integrated Bayesian meta-learning benchmark. In particular, we introduce a class of boundedly rational meta dynamic programming policies, BRMDP(D), that approximate full integration using a limited number of hyper-posterior draws, denoted by D. Trial-by-trial likelihood comparisons show that low-D boundedly rational meta-learning, especially BRMDP(1), fits participant behavior better than both no transfer and fully integrated Bayesian transfer. Consumers, therefore, transfer brand-level regularities across contexts, but through coarse representations of prior uncertainty. The findings imply that models of consumer learning should allow for approximate cross-context transfer, and that managerial counterfactuals based on either no-transfer or fully integrated learning can be misleading.
Authors: Arne Nix, Robert James, Lasse Borgholt, Anna B. Ekner, Lana Krumm, Julius Severin, Dan Engel, Lars Maal{\o}e, Jakob Havtorn
Abstract: After decades of use in dictation and, more recently, ambient documentation, speech is emerging as a primary modality for interacting with technology and AI in healthcare. Yet medical speech recognition remains difficult: systems must capture specialized terminology, resolve contextual ambiguity, and render measurements, abbreviations, and clinical shorthand precisely. Existing solutions are typically optimized either for general-purpose transcription or narrow dictation workflows, limiting their reliability in safety-critical settings and their usefulness for broader clinical workflows. We introduce Symphony for Speech-to-Text, a medical-grade speech recognition system for real-time streaming and batch file-based clinical use. Symphony decomposes the transcription process into specialized components for recognition, formatting, and contextual correction to optimize medical term recall while producing clinically structured text in real time and adapting across use cases. Evaluations on public benchmark and medical speech datasets show that Symphony substantially outperforms state-of-the-art systems in clinical settings while matching or exceeding them in general-domain settings, suggesting robust generalization rather than overfitting. We release a clinical benchmark dataset to support reliable validation and further progress in medical speech recognition. Symphony is available through a production-grade API for live dictation, conversational transcription, and batch audio file processing.
Authors: Lingyi Wang, Tingyu Shui, Walid Saad, Pascal Adjakple
Abstract: Semantic communication has emerged as a promising paradigm for enabling goal-oriented networking. However, most existing semantic communication solutions are tailored to one-shot tasks and optimize instantaneous performance. Hence, they cannot be used to support closed-loop dynamic systems with physical artificial intelligence (AI), in which the transmitted semantics affect not only the current inference outcome but also future control actions, state evolution, and ultimately long-horizon task performance. To address this gap, this paper investigates goal-oriented semantic communications for physical AI systems with closed-loop sensing-communication-inference-control. In particular, the problem of semantic communications is formulated as a long-term return-per-bit maximization under wireless bit-budget constraints while capturing both control efficiency and communication efficiency. To solve this problem, a novel causal information value (CIV) metric is introduced to evaluate the marginal contribution of each semantic token to the expected long-term return by transmission interventions. Then, a world-model-enabled causal digital twin (WM-CDT) framework is proposed to capture the dynamics of closed-loop physical AI systems and enable counterfactual reasoning for long-horizon imagined rollouts. Based on these imagined rollouts, an actor-critic policy is trained for long-horizon agent control with high data efficiency, while the semantic token selector is trained through CIV-per-bit evaluation. Extensive simulations on an AirSim-Sionna-based unmanned aerial vehicle (UAV) navigation simulator show that the proposed WM-CDT framework achieves significant improvement in return-per-kbit and navigation success rate compared to existing reinforcement learning solutions.
Authors: Hong-Phuc Phan, Tuan-Anh Vu, Tung Kieu, Son Ha Xuan, Bin Yang, Christian S. Jensen
Abstract: Unsupervised outlier detection is attractive because it eliminates the need for labeled data. Moreover, forming multi-model ensembles can improve detection robustness. However, composing an ensemble without labeled data is challenging. Naively composed ensembles can suffer from ensemble saturation, where redundant or unreliable detection models degrade performance and incur unnecessary computation. We propose MetaEns, an automatic unsupervised framework for selecting ensembles of outlier detection models. Using labeled meta-datasets, MetaEns learns a model that predicts marginal ensemble gains, estimating the expected improvement from adding a candidate model to a partially constructed ensemble. At test time, this learned signal is combined with a submodular-inspired proxy objective that enforces diminishing returns through diversity-aware discounting and family-level risk regularization, thereby enabling greedy sequential selection with adaptive early stopping. As a result, MetaEns constructs compact, high-quality ensembles without access to ground-truth labels. Experiments on 39 real-world datasets show that MetaEns consistently outperforms state-of-the-art unsupervised selectors and ensemble baselines, achieving higher average precision while using fewer models.
Authors: Gabriele Accarino, Juan Nathaniel, Carla Roesch, Pierre Gentine, Sara Shamekh, Duncan Watson-Parris, Viviana Acquaviva
Abstract: Accurate emulation of multi-scale physical systems governed by PDEs demands models that remain stable over long autoregressive rollouts while preserving fine-scale structures. Deterministic emulators produce overly-smoothed predictions, while generative approaches better capture details but are costly. Latent-space generative models have emerged as a compromise but with the additional cost of separately pre-trained autoencoders. We propose Wavelet Flow Matching (WFM), a novel generative emulator that overcomes current trade-offs between cost and skill by performing optimal-transport directly in the multi-scale wavelet space. Rather than learning a latent compression, WFM leverages the hierarchical structure of a U-Net to jointly predict transport velocities of a prescribed wavelet representation. On three challenging systems of chaotic fluid dynamics, WFM achieves superior long-horizon stability, accuracy and spectral coherence compared to state-of-the-art models. Our results clearly position the wavelet space as an effective training-free representation for generative emulation of complex physical dynamics.
Authors: Thomas Walton, Ayan Goel, Amirali Aghazadeh
Abstract: Masked language modeling (MLM) is the standard objective for training protein language models, typically implemented by randomly masking individual residues at a fixed rate (e.g., 15%). This practice implicitly assumes that all sequence positions contribute equally to representation learning. In downstream fitness prediction tasks, however, protein sequences are governed by three-dimensional structural dependencies and long-range residue contacts that induce strong nonlocal couplings between residues. We introduce Bucket Masking, a structure-aware masking strategy that selects groups of residues based on their proximity in three-dimensional space, preferentially masking structurally coupled regions during training. By conditioning the masking distribution on residue contacts, Bucket Masking shifts the learning objective toward modeling long-range interactions that are critical for protein function. Across four downstream protein fitness prediction tasks, Bucket Masking enables up to a 14% improvement over standard random masking, excelling at predicting higher-order mutational interactions. Through controlled ablations, we show that these improvements arise from mask placement rather than span size, establishing masking as a positional inductive bias.
Authors: Entang Wang, Yiwei Wang, Aleksandra Bakalova, Michael Hahn
Abstract: In-context learning (ICL) excels at new tasks from minimal examples, yet we still lack a mechanistic explanation of how few-shot prompts shape a model's function vector (FV)--a causal activation direction that drives task behavior on the ICL query. Across tasks and models, an $n$-shot FV is well-approximated by a linear combination of example-level sub-FVs, suggesting additive and composable contributions from individual demonstrations. Beyond additivity, we show that models contextualize individual examples' representations based on prior examples to adaptively reweight which demonstrations dominate the FV: attention shifts toward examples that are more informative and less ambiguous under the context. Finally, a causal decomposition separates Query-Key routing from Value updates, finding that contextualization's most consistent contributions to FV quality arise from Query-Key alignment--particularly in ambiguous settings--while Value-mediated effects are more heterogeneous. Together, these results unify additive superposition with context-dependent attention reweighting into a mechanistic, testable account of how few-shot prompts implement tasks.
Authors: Valeria Ruscio, Eli-Shaoul Khedouri, Keiran Thompson
Abstract: Cross-entropy pretraining and preference alignment update the same transformer weights, but leave geometrically distinct traces. We characterise this asymmetry with a relative-subspace-fraction probe that tracks how weight deltas align with residual-stream activation subspaces and with the prediction subspace defined by the unembedding. Alignment deltas concentrate in the read pathway ($W_Q$, $W_K$), along principal directions of attention-input activations, while remaining near-isotropic in the write pathway ($W_O$, $W_2$) relative to the prediction subspace. We explain this pattern through anisotropic gradient accumulation: updates to a matrix $W$ are sums of outer products $\delta_t a_t^\top$, and inherit directional structure from whichever side has concentrated covariance. For read-pathway matrices, this side is the input activation $a_t$, whose covariance is spiked in trained transformers and therefore produces objective-agnostic concentration. For write-pathway matrices, the relevant side is the upstream gradient $\delta_t$, whose anisotropy depends on the loss. Cross-entropy supplies the canonical sharp per-sample signal, inducing write-pathway prediction geometry during pretraining; alignment objectives typically add little further write-side concentration. We support this explanation with a within-checkpoint trajectory, a graded contrastive-objective control, and a closed-form rank-1 intervention with matched direction controls, providing causal evidence for the proposed weight-space geometry.
Authors: Raghu Vamshi Hemadri, Humaira Firdowse Mohammed, Rishabh Maheshwary, Srivatsava Daruru, Sagar Davasam, Vikas Yadav, Srinivas Sunkara, Sai Rajeswar
Abstract: Efficient agentic systems should incur expensive frontier-model costs only on decisions where a cheaper local model is likely to fail. Existing LLM cascades usually route whole queries before execution, but task difficulty shifts mid-trajectory - after flaky tool calls, truncated observations, or compounding local errors - making pre-execution routing brittle. We introduce \textbf{R2V-Agent}, a risk-calibrated SLM-LLM routing framework for interactive agents. R2V combines four components: a distilled small language model (SLM) policy, a stronger teacher LLM, a lightweight process verifier that scores candidate actions at each step, and a calibrated step-level router. The router is our central contribution: after the SLM is trained, it estimates residual failure risk at each step and escalates only when teacher intervention is warranted. To make the routing problem well-defined, we first train a stable local SLM using a standard offline pipeline: behavioral cloning (BC) on teacher trajectories, followed by verifier-guided Direct Preference Optimization (DPO) with consistency regularization. The router is then trained on this fixed policy's residual failures using Brier-calibrated probability estimation and a Conditional Value-at-Risk (CVaR)-constrained objective that penalizes worst-case failures across perturbation seeds. Across HumanEval+, TextWorld, and TerminalBench with four SLM backbones, R2V improves the reliability-cost frontier: it achieves $94.3\%$ HumanEval+ success with $0.60\%$ LLM escalation, recovers TextWorld from $64.6\%$ SLM-only success to $98.2\%$ at $41.7\%$ escalation, and reaches $93.3\%$ TerminalBench success at $33.9\%$ LLM calls, roughly half the heuristic-router cost.
Authors: Sotaro Takeshita, Yurina Takeshita, Simone Paolo Ponzetto, Daniel Ruffinelli
Abstract: Matryoshka Representation Learning (MRL) is a widely adopted approach for training text encoders so they provide useful text representations at various sizes, available by simply truncating the resulting vectors at sizes pre-determined at training time. Recent works have shown that randomly truncating text embeddings has minimal impact in downstream performance unless vectors are reduced in size by at least 70%, suggesting that embeddings are already robust to truncation without the use of MRL. However, no prior work has compared random truncation to MRL, so it is unclear how the two methods compare as effective embedding reduction methods. In this paper, we study this by applying the same truncation used by MRL to models trained with and without MRL. Our results across several models and downstream tasks show that, unless heavily truncating embeddings (i.e. reducing their size by at least 80%), truncated embeddings of non-MRL models are competitive with, and often outperform models trained with MRL. This suggests that truncation robustness may not necessarily come from MRL, and that the choice of spending the additional training cost of MRL depends on whether heavy truncation is desired.
Authors: Beheshteh T. Rakhshan, Guillaume Rabusseau
Abstract: High-dimensional data arise naturally in many areas of science and engineering, including machine learning, signal processing, computational physics, and statistics. Such data are often represented as tensors, multi-dimensional generalizations of matrices. While tensors provide a natural representation for multi-modal structure, their direct manipulation quickly becomes challenging as the order grows: the number of parameters increases exponentially, and algebraic expressions involving many indices become difficult to interpret and implement. Tensor networks (TNs) provide an effective framework for addressing these challenges. Originally introduced by Penrose and developed extensively in quantum physics, the graphical language of tensor networks encodes contractions as edges in a graph, reducing notational overhead and revealing structural properties obscured by index notation. Despite the central role of high-dimensional tensors in modern machine learning and numerical analysis, tensor network diagrams remain underutilized outside quantum computing, partly due to the lack of a self-contained mathematical reference accessible to a broad technical audience. This manuscript provides a self-contained guide to tensor networks and their use in tensor algebra. We present the main operations on tensors, contractions, products, and reshaping through, graphical notation, and show how classical tensor decompositions and related computations are naturally expressed in this framework. We also illustrate how tensor networks simplify the derivation of gradients and the manipulation of high-dimensional probability distributions. Throughout, we show that the diagrammatic approach yields genuinely shorter and more transparent proofs of classical identities, rank bounds, and gradient formulas that would otherwise require laborious index manipulation.
Authors: Madeline Celi Kitch, Nihar B. Shah
Abstract: In many applications, human and LLM evaluators use assessments of relevant criteria to create an overall evaluation for an item or individual. For example, in admissions, committees assess candidates on attributes such as test scores, GPA, and research experience to evaluate their overall fit for the program. Another example arises in medical care where clinicians use patient reports of symptoms to consider preliminary diagnoses and assess risks. Each setting involves mapping multiple criteria to an overall evaluation -- a process that reflects the evaluator's underlying preferences. We focus on the fundamental question of learning these preferences. Many applications of this problem make specific modeling assumptions on evaluator preferences that may be substantially violated in the real world. We make the minimal assumption that the preference function is coordinate-wise non-decreasing, which is reasonable in a large number of evaluation settings. We theoretically characterize the severity of model mismatch for many common assumptions and show that it can lead to significant issues for learning evaluator preferences and other important downstream tasks. We then present an algorithm for learning evaluators' preferences that is robust to model mismatch. We prove theoretically that our algorithm can learn any preference function without sacrificing performance when the linearity assumption holds. Evaluations of our algorithm with synthetic simulations and real-world data confirm its ability to learn preferences robustly and illustrate key aspects of LLM and human preferences.
Authors: Sasi Kiran Gaddipati, Diyana Muhammed, Farhana Keya, Gollam Rabby, S\"oren Auer
Abstract: Autonomous research systems capable of generating complete scientific manuscripts have advanced rapidly, yet robust and realistic evaluation frameworks have failed to keep pace. To bridge this gap, we introduce MLReplicate, an end-to-end benchmark evaluating autonomous research systems on machine learning reproducibility. The benchmark was constructed from ICML 2025 outstanding papers reformulated into standardized input specifications and evaluated across 6 state-of-the-art research systems: AI SCIENTIST-V1, AI SCIENTIST-V2, AGENT LABORATORY, CYCLERESEARCHER, AI RESEARCHER, and TINY SCIENTIST, yielding 45 generated manuscripts, with 3 failed experiments. Outputs are assessed using a dual-protocol approach that combines automated conference-style review and structured expert human evaluation, while tracking computational cost, runtime, and the amount of required human intervention. The automated conference-style review accepted 10 out of 37 valid submissions. An additional 8 submissions were desk-rejected before review for failing to meet the minimum page threshold. In contrast to automated reviews, human reviewers consistently identified methodological flaws, hallucinated experimental results, and reproducibility failures across all systems, and 59% of accepted automated reviews contained fabricated or unsupported claims. We further find that neither token budget nor computational cost predicts output quality: the cheapest system outperforms the most resource-intensive system in human evaluation, despite a 38-fold difference in input tokens. We thus demonstrate that autonomous research workflow design matters more than the scale of compute. MLReplicate exposes a substantial gap between current autonomous research systems and genuine scientific rigor, and establishes a practical, extensible evaluation framework for systematic progress toward trustworthy AI-driven scientific discovery.
Authors: Alpar Turkoglu, Muralikrishnna G. Sethuraman, Faramarz Fekri
Abstract: Learning causal relationships between variables from data is a fundamental research area with many applications across disciplines. Most existing causal discovery algorithms rely on the assumptions that (i) the underlying system is acyclic, (ii) the exogenous noise variables are Gaussian, and (iii) the intervention targets for the data-generating experiments are known. While these assumptions simplify the analysis, they are violated in real-life systems. Most existing methods that address these issues either assume the underlying model is linear or are constrained to operate in limited interventional settings. To that end, we propose SCOUT, a novel causal discovery framework for learning nonlinear cyclic causal relationships from soft interventional data with unknown targets. Our approach maximizes the data log-likelihood to recover the graph structure, using two normalizing-flow architectures: contractive residual flows and neural spline flows. Through experiments on synthetic and real-world data, we show that SCOUT outperforms state-of-the-art methods in both causal graph recovery and unknown target recovery across various interventional and noise settings.
Authors: Marius Saether, Amir Kolic, Tomaso Poggio, Pierfrancesco Beneventano
Abstract: In modern deep learning, weight decay is often credited with "stabilizing" training dynamics, diverging from its classical role as a static regularization penalty. We investigate a fundamental question: *does weight decay stabilize training dynamics, and if so, through which mechanism?* Indeed, training stability is understood through different but related notions in the literature. We consider how weight decay affects the parameter-space dynamics and loss sharpness by analyzing its effects at the \emph{Edge of Stability} (EoS). We show that weight decay robustly slows *progressive sharpening}. Furthermore, we uncover a striking architecture-dependent phase transition. In CNNs, weight decay dampens the oscillations at the EoS, while in MLPs, increasing weight decay causes a phase transition in which the sharpness stabilizes at a threshold significantly below the theoretical $\frac{2}{\eta}$ boundary. We develop a mathematical framework that accurately models these phenomena and identify the global alignment of the parameter vector and the sharpness gradient as the mechanistic driver of the phase transition. Importantly, we show that these phenomena translate into stability in terms of search in function-space (NTK). Last, this shows that curvature thresholds obtained from convex/quadratic heuristics may not be reliable stability diagnostics under regularization.
Authors: Ferhat Erata, Sam Kouteili, Thanos Typaldos, Timos Antonopoulos, Robert B. Jones, Byron Cook, Ruzica Piskac
Abstract: Despite the effectiveness of Cube-and-Conquer (C&C) for solving challenging Boolean Satisfiability (SAT) problems, no prior work has shown that transformer-based models can learn effective cubing heuristics. We introduce a neuro-symbolic post-training framework for this task. We design an MCTS-based data curation pipeline that uses symbolic heuristics to explore splitting decisions over SAT competition formulas, producing preference data grounded in solver statistics and augmented with reasoning traces from a teacher model. Our two-stage post-training, supervised fine-tuning (SFT) followed by direct preference optimization (DPO), enables a 4B-parameter model to achieve a pass@5 score of 53 on 100 SAT competition benchmarks, surpassing frontier LLMs such as Claude-Sonnet-4 (50) and matching the best symbolic heuristic (53). Ablations show that SFT alone improves pass@5 from 46 to 51, with DPO adding 2 additional benchmarks; an entropy/agreement ablation on realized first-cube decisions further shows that SFT, not DPO, accounts for the root-level decision diversity that produces complementary per-run coverage over deterministic symbolic methods. This demonstrates that transformers can be trained to make effective cubing decisions in a domain traditionally dominated by symbolic methods.
Authors: Seungik Cho, Anqi Li, Wei Qiu
Abstract: Multimodal clinical prediction faces three challenges: multiple foundation models (FMs) with complementary strengths per modality, pervasive missing modalities at training and test time, and sample-specific variation in modality contributions. We introduce MedMIX, a multimodal framework that combines intra-modality expert fusion, learned inter-modality fusion, and training-only large--small model collaboration for robust medical prediction under incomplete modalities. Within each modality, MedMIX aggregates complementary embeddings from multiple small expert models; across modalities, it performs learned fusion over available modalities; and during training, it leverages large teacher models to improve deployed representations without additional inference cost. Across three heterogeneous benchmarks (OpenI, MIMIC-IV-MM, and MMIST-ccRCC), MedMIX achieves consistently strong performance while remaining robust under controlled missing-modality perturbations, and further demonstrates sustained robustness under cross-cohort shift on MIMIC-III. These results highlight MedMIX as a practical framework that unifies within-modality expert collaboration, sample-specific cross-modality fusion, and efficient large--small model collaboration while remaining robust to incomplete modalities.
Authors: Tomasz Steifer
Abstract: We investigate the expressive power of hybrid recurrent-attention decoders, a class of architectures used in recent open-source language models such as Qwen3-Next and its successors. These models combine Gated Attention heads with recurrent Gated DeltaNet heads. Is there a formal advantage, in terms of model expressivity or efficiency, to such a hybrid architecture? We show that there is. We define parity-conditioned retrieval task and show that under constant-precision assumption, a Qwen-style hybrid of Gated DeltaNet and Gated Attention solves this task with a constant scratchpad, or equivalently $O(1)$ chain-of-thought steps. In contrast, no similar solution exists for pure Gated DeltaNet models, while pure Gated Attention requires at least a polynomial scratchpad.
Authors: Daniel O'Malley, Christopher W. Johnson, Javier E. Santos, Pablo Lara, Sandro Malus\`a, Bharat Srikishan, John Kath, Arnab Mazumder, Mohamed Mehana, David Coblentz, Nathan DeBardeleben, Earl Lawrence, Hari Viswanathan
Abstract: Continental-scale knowledge of subsurface temperature is limited by the cost and sparsity of borehole measurements, but such information is essential for geothermal resource assessment and for understanding heat transport in the shallow crust. The thermal field reflects the interaction between lithology, crustal structure, radiogenic heat production, and advective fluid flow, sometimes producing sharp anomalies that are smoothed by conventional interpolation or difficult to capture with physical models. Here we introduce In-Context Earth, a transformer-based model that uses sparse local borehole observations as geological context to predict continuous temperature-at-depth fields with calibrated uncertainty. In the contiguous United States, the model achieves a mean absolute error of 4.7 {\deg}C, outperforming the physics-informed Stanford Thermal Model, a model based on AlphaEarth embeddings, the multimodal Transparent Earth model, and universal kriging, while resolving sharper thermal gradients in geothermal provinces. Its uncertainty estimates are well calibrated, with a Kolmogorov-Smirnov statistic of 2.5%. Without finetuning, the model adapts to Alberta, Australia, and the United Kingdom (UK) using only 20 local observations at inference time, maintaining high accuracy in geologically distinct test regions with a mean absolute error of 2.2 {\deg}C in Alberta, 6.2 {\deg}C in Australia, and 5.4 {\deg}C in the UK. Interpretability analyses show that the model learns internal representations of subsurface properties it never observes during training, including seismic velocities, geochemistry, and crustal structure, and uses these representations in physically consistent ways. More broadly, this work shows that in-context learning can use sparse borehole observations for continental-scale subsurface characterization, without requiring dense measurements or region-specific retraining.
Authors: Roman Bresson, Konstantinos Divriotis, Johannes F. Lutzeyer, Iakovos Evdaimon, Michalis Vazirgiannis
Abstract: We introduce GraViti, a transformer-based graph-level variational autoencoder that maps entire graphs to compact latent vectors. This design produces a true graph-level latent space that supports smooth interpolation, property-guided search, and other downstream tasks beyond the constraints of node-level embeddings. On molecular benchmarks, GraViti learns to decode valid samples that follow the chemical constraints present in the training data, showing that the model recovers domain rules directly from graph-level representations. We also show that, in domains where a reliable canonical node ordering exists such as molecules or bayesian networks, enforcing permutation invariance can prove detrimental for consistent reconstruction. GraViti achieves state-of-the-art reconstruction accuracy on large datasets, and provides solid generative performance. Its single-step decoding offers a lightweight alternative to more complex generation pipelines while maintaining practical sample quality.
Authors: Peilun Li, Kaiyuan Tan, Daniel Moyer, Thomas Beckers
Abstract: Identifying latent state representations and dynamics is essential when direct modeling in observation space is infeasible, particularly under partial and high-dimensional observations. In such settings, representation learning and physics-aware modeling are inherently coupled. We study this problem for latent port-Hamiltonian systems, a structured class encompassing both conservative and dissipative dynamics. We propose a two-stage identify-then-project framework. First, a contrastive teacher learns continuous-time latent dynamics from partial observations. Then, a student projects the identified teacher representation and dynamics onto a port-Hamiltonian submanifold via a learned affine chart, yielding a physically consistent realization. As a conceptual counterfactual, we also consider a single-stage variant that jointly learns latent identification and port-Hamiltonian structure, but find it to be less reliable, motivating the proposed two-stage teacher-student framework. We show theoretically that affine projection is the natural bridge between the affine gauge of contrastive latent identification and the port-Hamiltonian systems. Empirically, we demonstrate that the proposed two-stage approach preserves the teacher's dynamics while enforcing physical structure, and performs more reliably than the single-stage alternative, particularly in dissipative regimes and high-dimensional visual settings.
Authors: Roman Maksimov, Vladimir Aletov, Dmitry Bylinkin, Daniil Medyakov, Vladimir Solodkin, Aleksandr Beznosikov
Abstract: Knowledge editing (KE) provides a lightweight alternative to repeated fine-tuning of LLMs. However, most existing KE methods target dense feed-forward layers, while modern LLMs increasingly adopt Mixture-of-Experts (MoE) architectures for their superior memory footprint and inference efficiency. This mismatch leaves a growing class of production models without principled editing tools. We propose a MEMIT-like framework for knowledge editing in MoE-based LLMs. Our method exploits the tensor structure of MoE layers to formulate the editing objective faithfully at the per expert level, and applies the Woodbury matrix identity to avoid materializing or inverting the full stacked matrix of expert weights. The resulting update reduces to inversions of fixed low-rank matrices and requires no additional backward passes. Empirically, our approach matches the editing quality of strong baselines on the main KE metrics while accelerating the editing procedure by up to 6x, owing to the batched MEMIT-style formulation and the low-dimensional inversions enabled by the Woodbury identity. These results show that closed-form, parameter-modifying KE can be extended efficiently beyond dense layers, opening a path toward scalable knowledge editing in modern sparse LLM architectures.
Authors: Van-Tuan Tran, Hong-Hanh Nguyen-Le, Marco Ruffini, Merim Dzaferagic
Abstract: Heterogeneous LoRA-rank methods address system heterogeneity in federated fine-tuning of foundation models by assigning client-specific ranks based on computational capabilities. However, these methods achieve only marginal computational savings, as dense feed-forward computations dominate. Sparse Mixture-of-Experts (SMoE) provides a promising alternative through conditional computation, yet we identify that its naive application to heterogeneous federated settings introduces two critical discordances: (i) expert utilization imbalance and (ii) non-differentiability of Top-K routing. Our convergence analysis demonstrates that these discordances lead to degraded convergence, particularly for resource-constrained clients. To address these challenges, we propose Universally Balanced Sparse Mixture-of-Experts (UB-SMoE), which introduces Dynamic Modulated Routing (DMR) to rebalance expert utilization, and Universal Pseudo-Gradient (PG) to reconstruct learning signals for non-activated experts. These mechanisms form a self-reinforcing cycle that maintains expert viability across heterogeneous clients. Experiments on benchmarks show that UB-SMoE achieves up to $45.0\%$ computational reduction on low-resource clients while improving their performance by $8.7 \times$ compared to existing heterogeneous LoRA-rank methods.
Authors: Thomas Evers, Cristian Meo, Wendelin Bohmer, Justin Dauwels, Yaniv Oren
Abstract: We introduce EfficientTDMPC, a sample-efficient model-based reinforcement learning method for continuous control built on the TD-MPC family of algorithms. Central to this family is a planner that aims to find an action sequence that maximizes the estimated return. The return is estimated using a learned model and value networks, each of which can introduce error. EfficientTDMPC proposes to reduce this error in two ways. First, it introduces an ensemble of dynamics models and averages the return estimates across those models and across different rollout depths. Second, it adds the option to apply an uncertainty penalty to the planner objective, yielding a planner that avoids actions with uncertain return estimates. It then adds practical improvements which increase buffer data freshness and reduce compute. Lastly, we find that our contributions enable EfficientTDMPC to benefit more from a higher update-to-data (UTD) ratio, further improving sample efficiency. To the best of our knowledge, in the low data regime of each benchmark, EfficientTDMPC achieves state-of-the-art (SOTA) in terms of sample efficiency on HumanoidBench-Hard and DMC hard, while matching SOTA on DMC easy.
Authors: Caio Gomes (Magalu)
Abstract: Capped-usage SaaS products -- LLM subscriptions such as Claude Code and ChatGPT, cloud platforms such as Vercel and Cloudflare Workers, corporate benefit platforms, identity-verification services with liability transfer -- share a structural signature with insurance products: a fixed premium decoupled from realized consumption, stochastic per-user demand with heavy-tailed severity, a non-fungible cap that resets on a fixed schedule, and a portfolio-level exposure that requires reserve adequacy under tail risk. We argue that this is not an analogy. It is the same operational problem actuarial science has been tooled for decades to address, restated with new dependent variables (tokens, bandwidth bytes, function-invocations, gym check-ins) in place of medical claims. This paper proposes a modeling framework for capped-usage SaaS pricing built from frequency-severity decomposition, premium calculation principles, and Monte Carlo reserve adequacy. We map the framework to publicly observable subscription tiers in two domains (LLM services and cloud platforms), ground it in canonical health-insurance economics (Arrow 1963; Pauly 1968; Manning et al. 1987; Brot-Goldberg et al. 2017), and demonstrate divergence from traditional unit economics through a worked example. The contribution is operational rather than theoretical: not a new theorem, but vocabulary and tools currently absent from cs.LG/stat.ML practice.
Authors: Siqi Zeng, Christopher Jung, Rui Li, Zhe Kang, Ming Li, Nima Noorshams, Zhigang Wang, Fuchun Peng, Han Zhao, Xue Feng
Abstract: Improving LLM performance on downstream tasks sometimes requires leveraging auxiliary datasets during post-training. In practice, however, developers face constraints on compute, labeling, and licensing costs that preclude using all available data, necessitating principled dataset-level selection. These constraints are increasingly shaped by dataset marketplaces, where data acquisition is governed by budgets and negotiation. We study dataset valuation as a subset selection problem during LLM post-training. Our goal is to identify and weight auxiliary datasets so as to maximize target task performance given constrained budgets. We first show that commonly used gradient alignment scores provide a reasonable yet incomplete valuation signal, as they ignore redundancy among datasets. To address this, we propose a scalable convex dataset-level valuation method based on kernel mean matching (KMM) in gradient space, which jointly accounts for alignment with the target task and redundancy across auxiliary datasets. Through extensive experiments across diverse post-training settings and tasks, we show that our approach consistently outperforms existing valuation baselines, achieving stronger performance with low computational overhead. Our results position dataset valuation as a practical decision tool for post-training data selection in market-constrained large language model settings. The code is available at https://github.com/uiuctml/convex_data_valuation.
Authors: Qiang Li, Shujian Yu, Jesus Malo, Jingyu Liu, T\"ulay Adali, Vince D. Calhoun
Abstract: Learning meaningful latent representations from nonlinear fMRI data remains a fundamental challenge in neuroimaging analysis. Traditional independent component analysis, widely used due to its ability to estimate interpretable functional brain networks, relies on a linear mixing assumption for latent sources, limiting its ability to capture the inherently nonlinear and complex organization of brain dynamics. More recently, deep representation learning methods have emerged as promising alternatives for modeling nonlinear latent structure. However, many of these approaches have been evaluated primarily on simulated datasets or natural image benchmarks, with comparatively limited validation on real-world neuroimaging data such as fMRI. In this work, we are motivated by the $\beta$-TCVAE (Total Correlation Variational Autoencoder), a refinement of the $\beta$-VAE framework for learning latent representations without introducing additional hyperparameters during training. We adapt and modify this model to fMRI data for nonlinear source disentanglement, aiming to separate mixed spatial and temporal brain signals into interpretable components. We show that the $\beta$-TCVAE framework can recover meaningful nonlinear spatial components with biological relevance, including well-established intrinsic connectivity networks such as the default mode network. Furthermore, we evaluate the learned representations using functional network connectivity, showing that the latent structure captures coherent and interpretable brain organization patterns. This study provides a pilot investigation that bridges nonlinear representation learning and fMRI analysis.
Authors: Bilal A. Mohammed, Lin Gu, Ruogo Fang
Abstract: Decoding visual experience from brain activity has advanced substantially, but cur- rent brain-to-text systems largely recover semantic content while discarding affect. Additionally, language models can generate emotional text when prompted with categorical labels, but such labels collapse rich inter-subject variability into coarse discrete bins. We present EmoMind, the first end-to-end pipeline for decoding affective captions directly from fMRI signals. EmoMind first retrieves a semanti- cally grounded neutral scene description from brain-decoded visual features, then rewrites it using a continuous 34-dimensional emotion vector decoded from the same fMRI recording. To control the balance between content preservation and affective expression, we train the rewriter with classifier-free guidance against an identity-preserving null branch, enabling smooth interpolation between semantic fidelity and affective expressivity. We evaluate affective caption generation with a three-axis validation framework spanning subject-specificity, structural geometry, and causal control. We further augment this framework with a synthetic-brain substitution test that probes robustness to the measurement apparatus, and we benchmark each axis against GPT-4 prompted with brain-decoded top-5 emotion labels as a strong discrete baseline. Across two independent emotion fMRI datasets, EmoMind significantly outperforms label-prompted GPT-4 on all three axes, with the largest gains on metrics that require person-specific affective structure rather than population-level emotion aggregation. These results establish continuous brain-decoded affect as a viable control signal for individualized affective cap- tion generation and open new directions for studying individual affective brain organisation.
Authors: Shi Chen, Zhengjiang Lin, Kaizhao Liu, Philippe Rigollet
Abstract: We develop a quantitative statistical theory of transformers in the large-context regime by adopting the abstraction of contextual flow maps (CFMs): dynamical systems that evolve a distinguished token in the presence of a contextual measure across a stack of attention blocks. Within this framework, the finite-context model approximates an idealized infinite-context system in which the contextual measure is replaced by its underlying population, so that the context length $n$ becomes a statistical resource. Exploiting the McKean--Vlasov structure of the dynamics and the classical machinery of propagation of chaos, we establish a forward bound controlling the deviation between the finite- and infinite-context CFMs uniformly along depth, and a backward bound controlling the deviation between the corresponding training trajectories uniformly across iterations of online gradient descent. Both bounds achieve the optimal Wasserstein rate $n^{-1/d}$ for general CFMs and parametric rate $n^{-1/2}$ for a restricted class of CFMs that includes transformers as a special case. The analysis rests on a new Eulerian adjoint formulation of the loss gradient and stability estimates for the resulting forward--adjoint system, both of which may be of independent interest.
Authors: Yimeng Min, Carla P. Gomes
Abstract: Learning permutations is fundamental to sorting, ranking, and matching, but existing differentiable methods based on entropy-regularized Sinkhorn produce a single softened solution and collapse under ambiguity. We present PermFlow, a conditional flow matching framework that operates directly on the affine subspace of matrices with unit row and column sums. A closed-form tangent-space projector preserves these constraints exactly along every trajectory, by construction rather than through iterative correction, and a nearest-target coupling routes distinct noisy initializations toward distinct valid permutations. The result is a model that captures multimodal permutation distributions rather than collapsing them to a single mode. On a visual sorting task with blended-digit ambiguity and a symmetric linear assignment problem, PermFlow achieves high accuracy on unambiguous inputs and recovers both valid permutations under ambiguity, where Sinkhorn-based baselines structurally fail.
Authors: Puning Yang, Junchi Yu, Qizhou Wang, Philip Torr, Bo Han, Xiuying Chen
Abstract: Mitigating sensitive and harmful outputs is fundamental to ensuring safe deployment of LLMs. Existing approaches typically follow two paradigms: Knowledge Deletion (KD), which erases undesirable information during training, and Distinguishable Refusal (DR), which steers models away from using sensitive knowledge during inference. Despite rapid progress, KD-based unlearning struggles with biased deletion due to suppressing specific token sequences as a substitute for complete knowledge removal, whereas DR-based unlearning risks the re-emergence of harmful knowledge because the underlying knowledge remains intact. To address these issues, we propose Distinguishable Deletion ($\mathrm{D^2}$), a paradigm that restricts the response distribution in the latent representation rather than specific tokens to erase undesirable knowledge, while distinguishing it from retained knowledge, enabling a refusal mechanism to handle unlearned inputs safely and coherently. To implement $\mathrm{D^2}$, we introduce an energy index that quantifies the presence of knowledge and the separation between unlearned and retained content. Mathematical and empirical analyses show that energy is both accurate and efficient, enabling Energy-based Unlearning Alignment (EUA) to enforce energy-boundary unlearning during training and apply an energy-based refusal mechanism at inference. Extensive experiments demonstrate that EUA significantly outperforms previous methods, indicating the superiority of $\mathrm{D^2}$. Our code is available at https://github.com/Puning97/EUA-for-LLM-Unlearning.
Authors: Tuowei Wang, Fengzu Li, Yanfan Sun, Wei Gao, Ju Ren
Abstract: Large language models (LLMs) are increasingly needed for interactive mobile applications, but high-quality models exceed the limited DRAM available on smartphones. Flash storage can hold larger models, yet flash-backed inference is slow because autoregressive decoding repeatedly invokes the target model and incurs costly I/O. We observe that speculative decoding is a natural fit for this setting: a small draft model can remain in DRAM, while a larger flash-resident target model verifies multiple candidate tokens per invocation. However, existing methods assume server-class accelerators and fail to account for prolonged I/O latency, limited computation parallelism, and irregular speculation execution. We present Lever, an end-to-end system for efficient flash-backed LLM inference on smartphones. Lever jointly optimizes the three stages of speculative decoding under mobile constraints. For drafting, it builds token trees using an I/O- and compute-aware gain-cost objective. For verification, it prunes low-value branches through early-exit prediction to reduce target-model computation. For execution, it maps speculation efficiently across mobile CPU-NPU hardware to improve utilization. Comprehensive evaluations show that Lever reduces inference latency by an average of 2.93x over baseline flash-offloaded inference and 1.50x over conventional speculative decoding, narrowing the latency gap between flash-backed and memory-resident LLM inference.
Authors: Yulin Chen, He He, Chen Zhao
Abstract: Reinforcement Learning with Verifiable Reward (RLVR) has proven effective in improving Large Language Model's (LLM) reasoning ability. However, the learning dynamics of RLVR remain underexplored. In this paper, we reveal a counterintuitive phenomenon: among hard examples that the model initially struggles with, a substantial subset remains unlearnable even when correct rollouts are present. To understand the phenomenon, we first demonstrate that existing optimization and sampling techniques fail to resolve unlearnability. With cross-example gradient analysis, we show that unlearnable examples have fundamental representation issue, characterized by low gradient similarity with the rest of the examples and ungeneralizable reasoning patterns. We further show that representation flaws are difficult to mitigate in RL, as data augmentation does not improve gradient similarity. Our study provides the first systematic characterization of unlearnable data in RLVR training and reveals fundamental limitations in current RL approaches for reasoning tasks. Code and data are available at \url{https://github.com/yulinchen99/unlearnability-rlvr}.
Authors: Anay Kulkarni, ChiaEn Lu, Dheeraj Mekala, Jayanth Srinivasa, Gaowen Liu, Jingbo Shang
Abstract: Tool use enables large language models to solve complex tasks through sequences of API calls, yet existing reinforcement learning approaches fail to scale to multi-step composition settings. Outcome-based rewards provide only sparse feedback, while trajectory-supervised rewards depend on annotated reference solutions, penalizing valid alternatives and limiting scalability. We propose TIER: Trajectory-Invariant Execution Rewards, a reward framework that derives supervision directly from function schemas and runtime execution, rather than from reference trajectories. The reward decomposes into format validity, schema adherence, execution success, and answer correctness, providing dense, interpretable sequence-level feedback derived from fine-grained verification of individual steps of tool use. This design allows any valid execution path to receive credit, naturally supporting multiple solution strategies and adapting to evolving tool interfaces. On DepthBench, a compositional benchmark stratified by depth (1 to 6 steps), TIER achieves >90% accuracy across steps, where trajectory-supervised rewards collapse beyond step-4. We further demonstrate consistent gains on benchmarks like BFCL v3 and NestFUL. Ablation studies confirm that all reward components are necessary, highlighting the importance of multi-level supervision for compositional reasoning.
Authors: Yangyou Liu, Zezhi Shao, Xinyu Chen, Hu Chen, Fei Wang, Yuankai Wu
Abstract: Time series forecasting under non-stationarity faces a fundamental tension between capturing stable representations and adapting to distribution shifts. Existing methods implicitly rely on static historical assumptions, leading to a critical failure mode we term Phase Amnesia, where models become blind to the evolving global context. To resolve this, we formalize non-stationary dynamics through three physical hypotheses: wold decomposition, dynamical phase evolution, and heteroscedastic manifold generation. These principles inspire PULSE, a physics-informed, plug-and-play framework adopting a Disentangle--Evolve--Simulate design philosophy. Specifically, PULSE utilizes phase-anchored disentanglement to resolve optimization interference caused by dominant trends, employs a Phase Router to actively generate future trajectories, and introduces Statistic-Aware Mixup (SAM) to ensure robustness against out-of-distribution volatility. Empirically, PULSE enables a simple MLP backbone to achieve state-of-the-art or highly competitive performance across 12 real-world benchmarks. This validates that a correct physics-informed inductive bias is far more critical than raw architectural complexity for non-stationary forecasting. The code is available at: https://github.com/Gemost/PULSE.
Authors: Peiliang Zhang, Jingling Yuan, Shiqing Wu, Mengqing Hu, Chao Che, Yongjun Zhu, Lin Li
Abstract: Recent advances in molecular representation integrates molecular topological and visual modalities, opening new avenues for precise Molecular Relational Learning (MRL). Existing MRL methods focus on intra-domain modeling, and their inherent domain-closed effect limits applicability to molecular science, particularly in elucidating cross-domain interaction mechanisms. Consequently, the imperative for Cross-Domain Molecular Relational Learning has become increasingly pressing. Benefiting from structure-activity analysis, we propose the Domain Adversarial Training Network with Structural-Semantic Transfer Discrepancy (DisTrans) to optimize cross-domain adaptive representation for molecular structures and visual images. 1) We employ the gradient reversal strategy based on substructure topological discrepancies between domains to learn the domain dependence of molecular structures. This strategy guides the model to adapt to the structural adjacency patterns in the target domain, generating domain-separable structural representations. 2) We apply the cross-domain representation guidance mechanism to align the functional-group semantic information between the source and target domains, learning cross-domain consistency information. The experimental results in two typical cross-domain strategies demonstrate that DisTrans outperforms 16 baseline methods, maintaining satisfactory performance even under pronounced inter-domain discrepancy.
Authors: Ramakrishnan Sathyavageeswaran
Abstract: Low-rank adaptation (LoRA) assigns a uniform rank to every adapted weight matrix - a practical convenience that ignores a fundamental reality: different layers contribute unequally to task adaptation. We address this with a lightweight engineering solution: before fine-tuning begins, run eight calibration backward passes, compute the gradient variance of each LoRA-B matrix as a proxy for layer informativeness, and redistribute the rank budget proportionally. The resulting adapter is a standard LoRA with a per-layer rank pattern - no new parameters, no training overhead, no changes to serving infrastructure. We implement this via an efficient approximation of the empirical Fisher Information Matrix (eFIM) diagonal, restricted to LoRA adapter matrices only, which reduces memory cost by approximately 256x compared to full-model Fisher estimation. On GLUE with DeBERTa-v3-base, FIM-LoRA matches LoRA (88.6 vs. 88.7) at the same parameter budget, and on commonsense reasoning with LLaMA-3-8B reaches 68.5 vs. 68.7 for LoRA. The per-layer rank maps are interpretable: value projections and early-to-middle layers consistently receive higher rank, consistent with established findings on transformer layer roles.
Authors: Wen-Hsin Tsai, Chia-Ming Lee, Yuk-Ying Tung
Abstract: Collaborative game-based learning environments offer rich opportunities for small-group knowledge construction, yet automatically predicting student collaboration satisfaction remains challenging. A critical barrier is modality degradation: in educational deployments, individual modalities such as eye gaze exhibit inconsistent informativeness across student cohorts, causing implicit attention-based fusion to produce brittle multimodal representations. We propose the Affinity-Aligned Multimodal Learning Analytics (AAMLA) framework, whose core contribution is the Cross-modal Affinity-guided Modality Alignment (CAMA) module, which explicitly models inter-modal relationships via affinity matrices and enforces cross-modal consistency through contrastive learning, enabling adaptive suppression of uninformative modalities without discarding them. AAMLA further applies modality-specific projection layers to map heterogeneous features, including facial action units, head pose, eye gaze, and interaction trace logs, into a unified semantic space prior to alignment. Experiments on 50 middle school students in the EcoJourneys collaborative learning environment demonstrate consistent improvements over unimodal baselines and prior cross-attention approaches under standard and modality degradation conditions, with SHAP and t-SNE analyses confirming that CAMA produces robust, interpretable cross-modal representations for student collaboration modeling.
Authors: Shen Han, Zhiyao Zhou, Jiawei Chen, Sheng Zhou, Canghong Jin, Hai Lin, Da Zhong Li, Bingde Hu, Can Wang
Abstract: The quality of graph-structured data is fundamental to the success of modern graph analysis techniques such as Graph Neural Networks (GNNs). However, real-world graph data is often suboptimal, suffering from issues such as noise and incomplete connections. Graph Structure Learning (GSL) has emerged as a promising technique that adaptively optimizes node connections. However, we observe that the effectiveness of GSL often comes at the cost of a dramatic expansion in edge count, resulting in significant storage and computational overhead. In this work, we reveal that this limitation stems from the prevalent use of similarity-based edge construction, which predominantly connects highly similar neighbors based on their embeddings, introducing substantial structure redundancy. To address this, we propose a novel Informative Graph Structure Learning method (InGSL), which jointly considers both similarity and diversity in edge construction by incorporating a mutual-information-guided learning strategy. Notably, InGSL serves as a plug-in module that can be seamlessly integrated into existing GSL frameworks. Through extensive experiments on six representative GSL methods, we demonstrate that InGSL achieves significant performance improvements at a reduced number of edges.
Authors: Youngmok Ha, Viktor Schlegel, Yidan Sun, Anil Anthony Bharath
Abstract: While Local Differential Privacy (LDP) serves as a foundational primitive for distributed data collection, its stringent noise injection requirement often leads to severe degradation in data utility. This degradation stems from the task-agnostic nature of conventional LDP mechanisms, which inject noise uniformly across all dimensions regardless of their relative importance to the downstream objective. To address this issue, we propose a novel approach that mitigates noise in task-relevant subspaces of the data representation. Our method identifies task-critical subspaces via the Jacobian matrix of the public downstream model, selectively attenuates noise along those dimensions, and reshapes the isotropic noise of standard LDP into an anisotropic distribution. This method preserves the uniform per-dimension privacy budget while heterogeneously modulating noise impact across dimensions, thereby substantially enhancing data utility. Furthermore, our approach generalizes to both linear and non-linear models and integrates seamlessly with existing mechanisms. Extensive experiments on CIFAR-10-C (Brightness corruption at the highest severity level 5) demonstrate that integrating our approach improves the utility of PrivUnit2 and PrivUnitG by approximately 20\% at $\epsilon=7.5$. The source code is available at \url{https://github.com/ymha/jacobian-anr-ldp}.
Authors: Takayuki Kimura
Abstract: Molecular representation learning has become a central approach in AI-driven drug discovery, yet existing molecular tokenizations such as SMILES remain largely syntactic and do not naturally align with chemically meaningful substructures. In this work, we introduce VQ-Atom, a semantic discretization framework that converts continuous atom-level graph representations into discrete tokens corresponding to local chemical environments. Using graph neural network embeddings and vector quantization, atoms are assigned to codebook entries representing chemically meaningful atomic contexts. These discrete tokens define a molecular language suitable for Transformer-based pretraining. We evaluate VQ-Atom in protein-ligand interaction prediction under a protein-cold split setting without relying on 3D structural information. Experimental results show that VQ-Atom consistently improves predictive performance compared to conventional tokenization approaches, suggesting that semantically grounded discretization can substantially enhance molecular representation learning. Our findings indicate that token design itself plays a critical role in enabling effective language modeling for chemistry.
Authors: Shuo Liu, Ding Liu, Shi-Ju Ran
Abstract: Large language models (LLMs) generate not only reasoning text, but also token-level confidence trajectories that record how uncertainty evolves during inference. Whether these trajectories are relevant to reasoning correctness remains unclear. Here we show that confidence trajectories encode a content-agnostic confidence geometry associated with trace-level final-answer correctness. Using only token-level confidence values, without access to the input question, reasoning text, hidden states, or external verifiers, we find that low-dimensional representations of confidence trajectories separate correct from incorrect reasoning traces. Across GSM8K, MATH, and MMLU, this geometric separation is quantitatively linked to downstream predictability: stronger clustering of correct and incorrect traces, measured by the Davies--Bouldin index, consistently corresponds to higher correctness-discrimination AUC. We further show that correctness-related information is enriched in the tail of reasoning, suggesting that late-stage confidence dynamics carry key correctness signals. We propose NeuralConf, a lightweight estimator that learns from confidence trajectories for correctness evaluation. Under a fixed trace budget, NeuralConf-derived scores improve confidence-weighted answer aggregation over majority voting, tail confidence, and other static baselines. These results reveal that LLMs expose trace-intrinsic statistical signals of correctness through their own confidence dynamics, offering a route to improve inference using information already present within generation.
Authors: Anhao Zhao, Haoran Xin, Yingqi Fan, Junlong Tong, Wenjie Li, Xiaoyu Shen
Abstract: Knowledge distillation is central to LLM post-training, yet its design space remains poorly understood, especially alongside reinforcement learning (RL). We show that the prevailing paradigms, off-policy distillation and on-policy distillation (OPD), implicitly couple two orthogonal choices: prefix source and token-level KL direction. This follows from decomposing sequence-level KL over autoregressive response distributions: forward KL pairs teacher prefixes with token-level forward KL, and reverse KL pairs student prefixes with token-level reverse KL. We argue this coupling is not intrinsic: decoupling the two axes yields four valid objectives. We establish gradient-level identities showing forward KL gives SFT-style cross-entropy matching with teacher soft targets, whereas reverse KL gives an RL-style policy-gradient objective with a dense teacher-student log-ratio reward, connecting them to off-policy SFT, DAgger-style on-policy SFT, offline-RL-style distillation, and OPD. We conduct an extensive controlled study on math reasoning, evaluating the four objectives both as standalone methods and as initializations for subsequent RL. The results reveal three tradeoffs: KL direction induces an accuracy-entropy tradeoff, prefix source a quality-compute tradeoff, and training length an accuracy-stability tradeoff. Motivated by these findings, we propose KL mixing and an entropy-gated length curriculum. KL mixing shows long-sequence distillation requires substantial forward-KL weight to prevent entropy collapse and length inflation without sacrificing accuracy. The entropy-gated length curriculum improves Avg@k and Pass@k by 3.6 and up to 5.8 points, and cuts average response length by roughly 3x versus fixed long-horizon training. Our results provide a framework and practical methods for designing reasoning distillation objectives that balance accuracy, diversity, compute, and RL behavior.
Authors: Phat Tran, Neville Mehta, Clara Mosquera-Lopez, Robert H. Dodier, Lizhong Chen, Peter G. Jacobs
Abstract: Accurate long-horizon glucose forecasting is critical for automated insulin delivery systems, which help people with type 1 diabetes (T1D) manage their glucose and avoid dangerous hypoglycemia. However, standard recursive long short-term memory (LSTM) networks suffer from systematic negative bias at longer horizons due to error compounding, while purely mechanistic ordinary differential equation (ODE) models fail to generalize across individuals when parameterized at the population level. We propose PhysioSeq2Seq, a hybrid architecture that combines patient-specific physiological modeling with a sequence-to-sequence (Seq2Seq) LSTM. For each glucose segment, twin matching searches a population of 300 parameterized digital twins to identify the best-fitting physiological match from a 3-hour continuous glucose monitoring (CGM) history. The 10 internal ODE state variables of the matched twin are injected as exogenous covariates into both the encoder and decoder of the Seq2Seq LSTM. This simultaneous 48-step prediction strategy eliminates recursive error compounding, while the ODE features provide a physics-grounded constraint that bounds long-horizon drift within physiologically plausible ranges. PhysioSeq2Seq was trained on CGM and insulin data from 348 participants in the Type 1 Diabetes Exercise Initiative (T1DEXI) dataset and evaluated on 74 held-out participants. At the 240-minute horizon, PhysioSeq2Seq achieves a mean absolute error of 39.28 mg/dL and a mean error of -10.62 mg/dL, reducing bias by 13.89 mg/dL over the recursive LSTM and reducing mean absolute error by 28.62 mg/dL over the ODE-based digital twin. These results show that eliminating architectural feedback and injecting patient-matched physiological states is an effective and clinically meaningful strategy for long-horizon glucose forecasting in T1D.
Authors: Shilong Jin, Lanjun Wang, Zhuosheng Zhang
Abstract: Autonomous Graphical User Interface (GUI) agents often struggle with multi-step tasks due to constrained context windows and static policies that fail to adapt to dynamic environments. To address these limitations, this work proposes the Self-Evolving GUI Agent (SE-GA), a novel framework that integrates hierarchical memory structures with an iterative self-improvement mechanism. At the core of our approach is Test-Time Memory Extension (TTME), which facilitates long-term planning by dynamically retrieving episodic, semantic, and experiential memories to provide salient contexts during inference. To ensure continuous learning, we introduce Memory-Augmented Self-Evolution (MASE), which is a training pipeline that adopts the data collected by TTME to stabilize and enhance the agent's foundational policy. Extensive evaluations across both offline and online benchmarks demonstrate SE-GA achieves state-of-the-art performance, reaching success rates of 89.0\% on ScreenSpot and 75.8\% on the challenging AndroidControl-High dataset. Furthermore, significant improvements on the AndroidWorld benchmark highlight the superior generalization to dynamic environments. Open source code: https://github.com/jinshilong-dev/SE-GA
Authors: Jean Philip Filling, Daniel Franzen, Michael Wand
Abstract: We introduce a tensor-channel equivariant graph neural network for direct prediction of molecular polarizability tensors. Building on the efficient PaiNN architecture, we augment the hidden representation with explicit symmetric rank-2 tensor channels aligned with the decomposition of polarizability into isotropic and anisotropic components. In contrast to approaches that construct tensor outputs only at readout, our model propagates tensor structure throughout message passing using geometrically motivated tensor bases. This yields a target-aligned architecture for tensor-valued molecular prediction. On optimized QM7-X geometries, the proposed model achieves lower full-tensor and anisotropic error than both a PaiNN-style readout baseline and a dielectric MACE baseline under matched training conditions and at nearly identical parameter count. In this controlled setting, it also outperforms MACE while remaining substantially faster at inference. Ablation studies show that the gain does not arise from increased capacity alone, but from the combination of explicit tensor propagation and a traceless target parameterization matched to the anisotropic part of the polarizability tensor. Among the tensor bases considered, the strongest results are obtained from interactions between learned directional features, indicating that these are particularly effective for modeling molecular polarizability. Rotational equivariance tests further confirm that all compared models are numerically equivariant, so the observed improvements are attributable to better learning of the target tensor itself. Overall, our results show that for structured tensor-valued targets, propagating target-aligned tensor features can outperform both readout-only tensor construction and a more general higher-order equivariant model in the present training setting.
Authors: Haofei Yu, Jiaxuan You, Peter Clark, Bodhisattwa Prasad Majumder, Kyle Richardson
Abstract: Scientific artifacts such as models and datasets are foundations for research. With the rapid growth of platforms like HuggingFace, researchers now have access to a large number of artifacts. Yet, a key challenge remains: how can we automatically discover the state-of-the-art (SOTA) model for a given dataset by fully leveraging existing artifacts? We formalize this task as automatic SOTA discovery by modeling HuggingFace as an artifact graph, where nodes are models/datasets and edges represent evaluations. We propose ArtifactLinker, a two-stage framework: (1) ranking promising unobserved model--dataset links using Graph Neural Networks (GNNs) or graph-augmented Large Language Models (LLMs), and (2) verifying top-ranked links via coding experiments with LLM-based agents. We further introduce a benchmark named ArtifactBench with 14,053 artifacts and 51,337 relations to evaluate the performance of both stages. Results show that (1) graph structures between existing artifacts are effective for missing link prediction; (2) end-to-end ranking and verification with ArtifactLinker help discover potential SOTA results and research insights.
Authors: Chia-Ying Hsieh, Hsin-Yuan Fang, Chun-Shu Wei
Abstract: Post-hoc saliency methods are widely used to interpret deep neural networks, but their faithfulness is difficult to evaluate reliably. Existing evaluations mask features according to saliency-induced feature ordering and measure performance degradation, but this degradation can be confounded by the masking operator: zero masking may create out-of-distribution artifacts, while interpolation-based masking may preserve residual predictive information. We propose Adversarial Information Masking (AIM), a saliency-guided adversarial feature replacement framework for evaluating both saliency-map faithfulness and masking-operator reliability. AIM replaces selected features with values from an adversarial counterpart of the input and compares degradation under complementary masking orders. We assess reliability using random-attribution bias and stability of explanation-method faithfulness rankings. Experiments on image, audio, and EEG tasks suggest that AIM reduces masking-induced bias compared with zero and interpolation-based masking, while revealing modality-dependent differences between signed and unsigned attributions.
Authors: Graham Clyne, Julia Kaltenborn, Peer Nowack, Claire Monteleoni, Anasatase Charantonis
Abstract: Global climate models are essential tools to simulate past and potential future pathways of climate change, as well as associated climate impacts. Shared Socioeconomic Pathways (SSPs) describe a range of future scenarios of global economic and demographic development. These SSPs are intrinsically linked to changes in climate forcings, the external drivers, such as greenhouse gas and aerosol emissions, which in turn lead to the human impact on the energy balance of the Earth over time. These forcings are fundamental boundary conditions in climate models in order to gain insight into the potential climatic impacts of these changes described by each SSP. Running a climate model, however, is extremely computationally expensive, conflicting with the need for large ensembles of simulations for each model to give, e.g., more robust estimates in the presence of internal variability (the inherent, chaotic fluctuations within the climate system) and scenario uncertainty. Recent research has demonstrated the ability to capture climate model dynamics using machine learning when conditioned on forcings from different climatic scenarios. We here train a Deep Learning (DL) model on multiple SSPs and successfully generate scenarios unseen during training. Our emulator is validated against MESMER-M, a statistical emulator of land surface temperature. Our research demonstrates the capacity to generate such changing climate states in response to a variety of simultaneous climate forcings (e.g., carbon dioxide, methane, nitrous oxide, sulphate aerosols, and ozone). In particular, our ablation studies underline a need to include a range of different forcings to represent long-term atmospheric trends with a DL emulator.
Authors: Wei Tang, Jinpei Han, Kangning Cui, Mattia Carletti, Fredrik K. Gustafsson, Shreyank N Gowda, Patitapaban Palo, Anshul Thakur, Lei Clifton, Jean-michel Morel, Raymond H. Chan, David A. Clifton, Xiao Gu
Abstract: Electrocardiogram (ECG) foundation models pretrained on typical diagnostic 10-second ECG segments, have demonstrated strong transferability across a range of clinical applications. However, many real-world applications produce recordings that are typically longer, and are varied in duration during inference time. These 10-second models have no built-in way to combine information across time. Extending them to longer horizons introduces two challenges: structural incompatibilities arising from input-length disparities, and semantic challenges that limit meaningful temporal aggregation. We propose a parameter-efficient framework that extends pretrained ECG foundation models to longer and variable-length ECGs without retraining the backbone. Guided by a frozen pretrained 10-second model, we introduce a lightweight plug-in module that extends the model in two complementary ways: (i) structurally compatible long-sequence processing and (ii) semantically informed temporal modeling. Experiments on multiple long-horizon ECG tasks, datasets, and foundation model backbones demonstrate that our method enables robust long-horizon extension from pretrained snapshot models, consistently outperforming sliding-window and pooling-based baselines with strong parameter efficiency.
Authors: Tom\`as Garriga, Alejandro Almod\'ovar, Axel Brando, Gerard Sanz, Eduard Serrahima de Cambra, Juan Parras
Abstract: Individualized treatment selection with continuous actions requires accurate causal response estimation in decision-relevant regions, rather than uniformly over the entire action space. Estimating a global causal response surface and then choosing the treatment that maximizes it can therefore be suboptimal, since standard estimation objectives allocate modeling effort according to the observed treatment distribution rather than the regions that determine the optimal decision. While decision-aware approaches have been studied in unconfounded settings, this problem remains underexplored in proximal causal inference, where proxy variables and bridge functions enable identification under suitable assumptions even in the presence of hidden confounding. Despite recent progress, proximal methods have primarily focused on treatment-effect and potential-outcome estimation rather than treatment selection and optimal decision-making. To bridge this gap, we introduce a policy-targeted weighted bridge loss that emphasizes decision-relevant treatment regions while retaining global stabilization. We prove a regret bound showing that the proposed weighted bridge loss controls treatment-selection regret through a weighted ill-posedness constant. We instantiate the framework in decision-aware variants of several proximal bridge solvers, yielding practical algorithms that alternate between weighted bridge estimation, response-surface projection, policy update, and weight refinement. Empirically, we find that decision-aware weighting reduces regret across several bridge solvers, suggesting improved treatment selection in proximal settings.
Authors: Peng Cui, Boyao Yang, Jun Zhu
Abstract: Reinforcement learning post-training has substantially improved the reasoning accuracy of vision-language models, yet the resulting policies remain poorly calibrated. Terminal correctness rewards provide no gradient that penalizes confident errors more than uncertain ones and no signal that ties confidence to the quality of visual evidence, a gap that becomes especially severe under corrupted or ambiguous inputs where models continue to report high confidence on incorrect answers. We introduce Ranking-Aware Calibration (RAC), a training-time framework that supervises confidence using two comparison signals that group-based RL already produces at no additional labeling cost. The ranking-aware group loss enforces that a better rollout receives higher confidence than a worse one within the same prompt. The clean--corrupted pairwise loss enforces that confidence attenuates as visual evidence degrades. Because the ranking signal forces the policy to distinguish between correct and incorrect reasoning paths, it also reinforces task accuracy beyond what correctness rewards alone produce. Both losses require no external confidence annotations and integrate naturally with group-based RL post-training. We instantiate RAC on Qwen2.5-VL and InternVL-3.5 backbones and evaluate on six multimodal reasoning benchmarks under clean and corrupted inputs. Empirical results show that the ranking-aware loss substantially improves task accuracy by teaching the policy to discriminate between better and worse reasoning, while the pairwise corruption loss reduces calibration error under degraded inputs. Their combination achieves the best calibration across all tested backbones while improving accuracy in the majority of settings.
Authors: Ruth Wan Theng Chew, Zhiliang Chen, Apivich Hemachandra, Bryan Kian Hsiang Low
Abstract: Optimization of LLM training and inference configurations, such as hyperparameters, data mixtures, and prompts, is critical to performance, but it is often approached heuristically in practice, leading to potentially suboptimal outcomes. By framing them as noisy, expensive, and derivative-free optimization problems, Bayesian optimization (BO) and other black-box optimization (BBO) methods offer a promising yet underexplored direction for principled, sample-efficient methods. However, LLM training and inference costs are prohibitively high for most of the BBO research community, and new methods are often only evaluated on synthetic test functions and small-scale datasets that fail to capture the challenges of modern LLM optimization problems. This impedes the development of BBO methods and makes it difficult to assess their effectiveness on modern LLM tasks. We introduce BoLT, the first LLM-centric benchmark that democratizes LLM research for the BBO community. BoLT is released at https://github.com/chewwt/bolt. BoLT covers broad and well-motivated LLM optimization problems, involving multi-fidelity, multi-objective, heteroscedastic noise, and high-dimensional search spaces. Each problem in BoLT is grounded in real experimental data and made fully reproducible and accessible through lightweight surrogate models fitted to the results of thousands of real LLM experiments. We benchmark BoLT against an extensive range of BO and BBO methods, showing that selected BO methods consistently outperform others across tasks and highlighting gaps in existing BBO methods on LLM tasks, underscoring the need to modernize benchmarks for the BBO community.
Authors: Peng Cui, Boyao Yang, Jun Zhu
Abstract: Reinforcement Learning (RL) post-training has emerged as the dominant paradigm for eliciting mathematical reasoning in Large Language Models (LLMs), yet prevailing techniques such as GRPO and DAPO distribute rollout and gradient budgets nearly uniformly across prompts, squandering compute on samples that are already mastered or remain far beyond the model's current capability. To address this fundamental inefficiency, we propose Learning-Zone Energy (LZE), a theoretically grounded, fully online data selection framework that concentrates computation on the model's active learning frontier. At its core, we define a closed-form Learning-Zone Energy Score that fuses three complementary signals, an initial-difficulty anchor, a normalized outcome-uncertainty term, and a pass-rate momentum, into a single scalar that is provably aligned with the expected magnitude of group-relative policy gradient updates. A forward pruner with replay further reduces wall-clock time cost by skipping rollout generation for persistently solved prompts while periodically checking for forgetting. Evaluated on Qwen-family models (1.5B-8B) across GSM8K, MATH and DAPO-MATH, our method retains only 40% of the training data per step yet matches or surpasses full-data baselines, with especially pronounced out-of-distribution gains on AIME25 (+45.9%) and AMC23 (+18.2%), alongside an estimated 36% reduction in training FLOPs. Our code is available at https://github.com/Stellaris167/LZE.
Authors: Rishabh Agrawal, Rahul Jain, Ashutosh Nayyar
Abstract: Behavior Foundation Models (BFMs) enable scalable imitation learning (IL) by pretraining task-agnostic representations that can be rapidly adapted to new tasks. However, existing BFMs assume fixed environment dynamics, limiting their robustness under real-world shifts such as changes in friction, actuation, or sensor noise. We address this by formulating BFM task-inference as a robust minimax optimization problem, enabling adaptation to worst-case dynamics perturbations without modifying pretraining. To the best of our knowledge, this is the first BFM-based framework that achieves robustness to dynamics shifts while relying solely on offline data from a single nominal environment. Our approach significantly outperforms standard BFM and robust offline IL baselines under dynamics shifts. These results demonstrate that robust policy can be achieved entirely at task-inference time, improving the practicality of BFMs in dynamic settings.
Authors: Ngoc-Hieu Nguyen, Parshin Shojaee, Phuc Minh Nguyen, Nan Zhang, Chandan K Reddy, Khoa D Doan, Rui Zhang
Abstract: Recent progress in large language models has led to the emergence of reasoning models, which have shown strong performance on complex tasks through specialized fine-tuning procedures. While these methods reliably improve pass@1 accuracy, prior works have observed that they show a coverage shrinkage behavior, where pass@k degrades relative to the base model. In this paper, we investigate the reasoning shrinkage arise under SFT-based post-training. We hypothesize that this behavior is driven by properties of the fine-tuning data, specifically related to decision points or "forks in the road" scenarios where model faces indecipherable patterns with multiple valid reasoning paths. To test this hypothesis, we design controlled case studies that simulate such decision-point settings, spanning indecipherable nodes in graph branching, and reasoning modes. By tracking post-training dynamics in these settings, we find that the shrinkage phenomenon is tightly correlated with the prevalence of decision-point scenarios in the training data. We also demonstrate that this shrinkage behavior can be partially mitigated through targeted data synthesis design of decision-points, and a more systematic diversity-encouraging decoding mechanism. Our findings identify data-centric factors as a key driver of shrinkage in reasoning models and highlight diversity-aware designs as an effective lever for controlling it.
Authors: Osama Zafar, Alexander Nemecek, Yiqian Zhang, Wenbiao Li, Debargha Ganguly, Vikash Singh, Vipin Chaudhary, Erman Ayday
Abstract: Standard PII filters often miss contextual data leakage in RAG systems, such as non-regulated attribute clusters that collectively identify individuals. We introduce a Privacy Policy Enforcement (PPE) framework using dual one-class density estimators with fused text embeddings and a calibrated abstain region for out-of-distribution inputs. Using an axis-stratified, multi-LLM synthetic data pipeline across medicine, finance, and law, we found that traditional Gaussian Mixture baselines fail on borderline-safe stress tests by focusing on linguistic register rather than content. Our proposed T3+OCSVM detector, trained on safe and borderline-safe data, achieves a borderline AUROC of 0.93+ while reducing false positives by 44-55 percentage points and maintaining millisecond latency. Compared to supervised MLP classifiers or 14B-parameter LLM judges, our framework offers superior operational suitability, as the former suffers from high abstention rates and the latter from latency and calibration issues. This methodology provides a robust stress-testing standard for any synthetic-data-trained classifier.
Authors: Ru Zhang, Renda Li, Ziyu Ma, Weijie Qiu, Chongyang Tao, Yong Wang, Xiangxiang Chu
Abstract: Reinforcement learning (RL) has demonstrated potential for enhancing reasoning in large language models (LLMs). However, effective RL training, which requires medium-difficulty training samples, faces two fundamental challenges: Effective Data Scarcity and Dynamic Difficulty Shifts, where medium-difficulty samples are scarce and become trivial as models improve. Existing methods mitigate this scarcity to some extent by generating training samples. However, these approaches suffer from anchor-free generation, ignoring co-evolution, and difficulty mismatch. To address these issues, we propose D$^2$Evo, a Dual Difficulty-aware self-Evolution RL framework. In each iteration, our method mines medium-difficulty anchors based on the current Solver's capability, trains the Questioner to generate diverse questions at appropriate difficulty levels, and jointly optimizes both components to enable progressive reasoning gains. Extensive experiments demonstrate that D$^2$Evo outperforms existing methods on mathematical reasoning benchmarks with fewer than 2K real mathematical samples, and exhibits strong generalization on general reasoning benchmarks.
Authors: Xiaolu Chen, Chenghao Huang, Yanru Zhang, Hao Wang
Abstract: The wide adoption of residential photovoltaic (PV) systems introduces new challenges for generation fraud detection (FD). Unlike traditional electricity theft detection, which focuses on electricity consumption-side behavior, PV generation fraud detection (PVG-FD) is complicated by the inherent intermittency and uncertainty of PV generation. The distributed nature of PV systems poses further challenges for centralized PVG-FD approaches due to scalability and privacy concerns. This paper develops a privacy-preserving distributed PVG-FD framework based on federated learning (FL). In this framework, a utility company manages multiple household communities, where each of which is equipped with a local detector. The framework integrates a novel detection model architecture with privacy-preserving global collaboration. Each community's local model fuses PV generation and weather data via a co-attention mechanism to detect discrepancies critical for PVG-FD. The FL framework enables cross-community collaboration by aggregating model parameters and prototypes, leveraging global knowledge sharing with local refinement while preserving privacy. It also uses prototype alignment to address class imbalance by enhancing fraud sample representation. Extensive experiments on a real-world residential PV dataset validate the effectiveness of the developed method and demonstrate that it outperforms state-of-the-art FL methods across various scenarios. The results also show its scalability across varying community sizes and strong robustness to class imbalance.
Authors: Robin-Nico Kampa, Fabian Deuser, Anna B\"o{\ss}end\"orfer, Konrad Habel, Norbert Oswald
Abstract: Autonomous AI coding agents are becoming a core tool for ML practitioners in industry and research alike. Despite this growing adoption, no standardized benchmark exists to evaluate their ability to design, implement, and train models from scratch across diverse domains. We introduce **1GC-7RC** (*Single Graphic Card: Seven Research Challenges*), a benchmark comprising seven ML tasks spanning language modeling, image classification, semantic segmentation, graph learning, tabular prediction, time-series forecasting, and text classification. Each task provides a locked data-preparation and evaluation script together with a baseline training script; the agent may only modify the training code, has no access to pretrained weights (with one controlled exception for semantic segmentation), no internet access, and must complete each task within a task-specific wall-clock budget (40-120 minutes) on a single GPU. We evaluate seven coding agents: five proprietary (Claude Code with Sonnet 4.6, Opus 4.6, and Opus 4.7; Codex CLI with GPT 5.5; and OpenCode with Qwen 3.6+) and two open-source (OpenCode with Kimi K2.5, Kimi K2.6). Across 5 runs per agent-task pair, we report substantial performance differences that reveal varying levels of implicit ML knowledge, planning ability, and time-budget management. The benchmark, harness, and all evaluation artifacts are publicly available on GitHub at https://github.com/Strolchii/1GC-7RC-Benchmark to facilitate reproducible comparison of future agents. Because our benchmark design is modular, the benchmark can be extended to new tasks and domains, adapted to different GPU budgets, and used to study multi-agent settings, making it a flexible platform for future research on autonomous research agents.
Authors: Vivienne Huiling Wang, Tinghuai Wang, Joni Pajarinen
Abstract: The combination of exponentially large action spaces, stochastic dynamics, and long-horizon decision-making under limited resources makes Sequential Stochastic Combinatorial Optimization (SSCO) particularly challenging for reinforcement learning. Hierarchical Reinforcement Learning (HRL) offers a natural decomposition, but it places the high-level policy in a Semi-Markov Decision Process (SMDP) where actions have variable durations, making it difficult to learn a world model that is suitable for planning. We introduce a model-based hierarchical framework for sequential stochastic combinatorial decision-making that directly addresses this issue. Our method combines a latent-space tree-search planner with an SMDP-aware world model for variable-duration decisions. A multi-timescale objective structures the latent dynamics so that transition magnitudes reflect the effective temporal scales of abstract actions, enabling efficient lookahead under adaptive temporal abstraction. We further learn a subgoal-conditioned budget policy jointly with the world model to support context-aware resource allocation. Across challenging SSCO benchmarks, our method outperforms strong baselines.
Authors: Sajjad Khan
Abstract: Concurrent LLM agents sharing mutable natural-language state produce Structural Race Conditions (SRCs): write-write and cross-shard stale-read conflicts that silently corrupt agent output. Existing multi-agent frameworks (LangGraph, CrewAI, AutoGen) provide no write-ownership semantics over shared state. We present S-Bus, an HTTP middleware whose central mechanism is a server-side DeliveryLog: a per-agent log of HTTP GET operations that automatically reconstructs each agent's read set at commit time without agent SDK changes under HTTP/1.1. The consistency property the DeliveryLog provides -- Observable-Read Isolation (ORI), a partial causal consistency over the HTTP-observable projection of the read set -- prevents structural race conditions when agents collaborate via shared shards. Three contributions: (C1) The DeliveryLog mechanism for automatic HTTP-traffic-based read-set reconstruction, with three-tier mechanised evidence: ReadSetSoundness and ORICommitSafety machine-checked in TLAPS (modulo one retained typing axiom); exhaustive TLC at N=3 (20,763,484 distinct states, zero violations); Dafny discharges 9 inductive soundness lemmas. (C2) Empirical structural-conflict prevention parity against PostgreSQL 17 SERIALIZABLE and Redis 7 WATCH/MULTI on shared-shard contention sweeps with 427,308 active HTTP-409 conflicts: zero Type-I corruptions across all three backends. (C3) ORI's operating envelope is topology-conditional: semantically neutral in dedicated-shard workloads; harmful in single-shard collaborative writing because preservation propagates concurrent contradictions. Source code: https://github.com/sajjadanwar0/sbus
Authors: Weilun Xu
Abstract: In language models, what a representation encodes is determined by the geometry of its representation space: distances, not activations, carry meaning. Existing tools characterize the shape of this geometry but do not ask what that shape is organized for. We introduce Subspace PGA, a metric that tests whether a layer's distance structure aligns with the readout subspace of the unembedding matrix $W_U$ more than with random subspaces of equal size. Across seven Pythia models (70M--6.9B) and three cross-family models, intermediate geometry is significantly organized for prediction (peak $z = 9$--$24$), but the degree is scale-dependent: small models ($d \leq 1024$) progressively lose it at late layers during training -- even as loss keeps improving -- while large models ($d \geq 2048$) preserve it throughout. We trace this to a capacity trade-off: a few dominant directions migrate away from $W_U$'s readout, masking rather than destroying the predictive structure beneath, and removing them restores alignment. Neither spectral metrics nor loss curves capture this distinction. Scale thus determines not only how well a model predicts, but how its representation geometry is organized to do so.
Authors: Qian Jiang, Liping Sun
Abstract: Scientific forecasting typically relies on direct state prediction, an approach that grows brittle under data scarcity, extended horizons, non-stationary dynamics, or high-dimensional complexity. While raw state trajectories are highly sensitive in these regimes, underlying local evolution rules often exhibit robust reusability. We introduce mechanism learning, a framework that forecasts future states by estimating the currently active local mechanism. Our method compresses local spatiotemporal fragments into mechanism descriptors, forming a data-driven, structured mechanism space where proximity reflects similar local evolution rules. To ground these estimates in observed data, we utilize prototype anchors, a set of representative mechanisms that sparsely cover the space of local rules. We evaluate this approach on Burgers dynamics, WeatherBench2, and Lorenz96. Empirically, the learned mechanism spaces resist collapse and maintain strong local consistency. Compared to direct prediction and other models including FNO, NODE, LSTM, and reservoir-family methods, our framework demonstrates predictive gains in fragile regimes: it significantly improves switching stability in Burgers dynamics and achieves state-of-the-art performance both under the scarce-data fixed-horizon WeatherBench2 protocol and in intermediate-complexity Lorenz96. Ablation studies and drift diagnostics confirm that these improvements are driven by finite prototype anchoring rather than sheer latent capacity. Together, these results establish mechanism learning as a principled, robust alternative to direct state prediction in forecasting complex systems.
Authors: Tristan Gaudreault, Yongyi Mao
Abstract: Transformers have become the dominant architecture for sequence modeling by using self-attention to enable expressive and highly parallel processing. However, the resulting quadratic time and memory costs limit efficiency in long-context settings. Recurrent models such as LSTMs provide explicit nonlinear state updates and strong state-tracking capabilities, yet their strictly sequential computation limits parallelism. We introduce the Parallel Recursive LSTM (PR-LSTM), a hierarchical recurrent architecture that replaces left-to-right recurrence with recursive nonlinear state composition over a balanced computation tree. Tokens are first mapped independently to latent states, which are then recursively merged by a learned gated composition block. This structure uses the reduction pattern underlying parallel scans as a fixed execution schedule, rather than assuming an associative recurrence. As a result, PR-LSTM retains nonlinear gated state representations while reducing recurrent parallel depth from linear to logarithmic. Empirically, PR-LSTM achieves strong sequence-length generalization on formal-language benchmarks, solving more tasks than standard RNN, LSTM, and Transformer baselines, while avoiding the quadratic scaling of attention. These results suggest that recurrent computation can be reorganized hierarchically to expose parallelism without restricting the transition dynamics to linear or associative forms.
Authors: Fangzhou Wu, Rikhav Shah, Sandeep Silwal, Qiuyi Zhang
Abstract: In recent years, Muon has emerged as the dominant method for training large language models, and transformers more broadly. The essential difference, when compared to standard gradient descent methods, is to replace the usual update matrix $M=U\Sigma V^\top$ with its polar factor $UV^\top$. In this work, we consider a class of Muon-like updates, where we replace the update $M$ with $U\Sigma^p V^\top$ for some parameter $p$. We call this a "spectral-shaping" operation, and develop a theory of how to pick $p$ which depends on (a) local curvature of the loss function, (b) noise stemming from stochastic gradients and label noise, and (c) training stage. Our theory and experimentation reveal a previously overlooked behavior: positive $p$ helps early by emphasizing high-curvature directions and accelerating signal contraction, while mildly negative $p$ helps later by reallocating update strength toward low-curvature directions that still contain useful training signals. Building on the insight, we propose DynMuon, an efficient dynamic spectral shaping method that schedules $p$ from positive to mildly negative over training. Extensive experiments across model sizes, architectures, and training settings show that DynMuon consistently achieves lower validation loss than Muon, while requiring 10.6-26.5% fewer steps to reach the same target loss.
Authors: David Troxell, Noah Roemer, Guido Mont\'ufar
Abstract: Differentiable optimization layers are traditionally integrated in predict-then-optimize frameworks where a neural model estimates parameters that subsequently serve as fixed inputs to downstream decision-making optimization problems. In this work, we introduce the concept of a "fairness layer": a differentiable optimization layer appended to a model's output layer that guarantees a chosen notion of output parity is satisfied when integrated into a neural network. Additionally, we introduce an online primal-dual inference algorithm that provides provable aggregate fairness guarantees for streaming predictions with arbitrarily small batch sizes, where traditional per-batch constraints become overly restrictive. Numerical experiments demonstrate the effectiveness of the fairness layer and associated algorithm, and theoretical analysis characterizes the layer's differentiability and stability properties during model training and backpropagation. Our code for these experiments is publicly available on GitHub (https://github.com/dtroxell19/FairDL-ICML-2026.git) and our public Python package documentation can be found online: https://dtroxell19.github.io/fairness_training/.
URLs: https://github.com/dtroxell19/FairDL-ICML-2026.git), https://dtroxell19.github.io/fairness_training/.
Authors: Muhammad Raees, Konstantinos Papangelis, Vassilis Javed Khan
Abstract: In sales and marketing, customer segmentation is an important tool for formulating strategies for customer treatment and supply chain management. Most segmentation implementations rely on limited criteria, such as recency, frequency, and monetary (RFM) modeling, which often fail to capture complex business interactions. In this work, we design and evaluate a dynamic multi-criteria decision-making (MCDM) method in a business-to-business (B2B) manufacturing context by 1) extending RFM to dimensions of stability and growth, 2) integrating an adaptive and analytical hierarchical process to match business objectives, and 3) evaluating multivariate time-series clustering models. We then measure customer stability, tracking between-segment transitions, and volatility over time, and apply a graph-based consensus model to further strengthen the analysis. We test the efficacy of the proposed method using a real-world manufacturing company dataset to segment more than 3,000 B2B customers, showing strong robustness to temporal shifts. The implementation enables domain experts with preferential analytics to devise their strategies, providing effective decision support for B2B customer segmentation.
Authors: David Troxell, Yulia Alexandr, Sofia Hunt, Stephanie Lei, Guido Mont\'ufar
Abstract: Neural network verifiers aim to provide formal guarantees on model behavior, but existing verification benchmarks are fundamentally limited by their lack of ground-truth labels. As a result, verifier evaluation relies on indirect heuristics, which prevents exact scoring and systematic study of verifier failure modes. We address this gap by introducing a reusable framework for generating verification instances whose ground-truth robustness labels are known a priori through analytic construction. Our framework led to the discovery of multiple numeric tolerance concerns and an implementation bug in popular verifiers, highlighting the need for ground-truth labels. Additionally, to systematically study verifier failure modes, we introduce the verification Difficulty Profile, a collection of estimable quantities capturing distinct sources of instance hardness. Using our framework and these profiles, we evaluate five state-of-the-art verifiers and show that different instances stress distinct aspects of the verification pipeline. We show that these results can aid the future development of verifiers as they provide actionable targets for improving numerical reliability, relaxation quality, and search behavior. Our code is publicly available: https://github.com/dtroxell19/VeriStressGT.git.
Authors: Chaymae Yahyati, Ismail Lamaakal, Khalid El Makkaoui, Ibrahim Ouahbi
Abstract: Quantization can preserve predictive accuracy under low-bit deployment while silently breaking algorithmic recourse: an actionable change that flips a decision before quantization may fail after quantization, or become substantially more costly. We formalize counterfactual sensitivity under quantization through validity, cost, and direction stability, and introduce two metrics: Validity Drop (VD) and Counterfactual Recourse Gap (CRG) that reveal recourse failures invisible to accuracy. We propose Counterfactual-Faithful Quantization (CFQ), which trains quantizer parameters and mixed-precision bit allocation to preserve counterfactual behavior by enforcing the target outcome at teacher recourse points under a global bit budget. A margin-based analysis gives a sufficient condition for recourse transfer under bounded quantization perturbations. Experiments on Adult, German Credit, and COMPAS show that accuracy-matched baselines can significantly degrade recourse stability, while CFQ maintains accuracy and substantially improves VD and CRG across bit budgets.
Authors: Hanzhang Shen, Haoran Wu, Yiren Zhao, Robert Mullins
Abstract: Agentic workloads have emerged as a major workload for LLM inference. They differ significantly from chat-only workloads, requiring long-context processing, the ability to handle multimodal inputs, and structured multi-turn interactions with tool calling capabilities. As a result, their context exhibits structure that can carry different importance along three key axes: temporal recency to the current turn, modality such as text or image tokens, and semantic role such as user queries, tool calls, observations, or reasoning. These axes capture distinct token behaviors and lead to different sensitivities to KV-cache compression. However, existing KV-cache quantization methods are typically homogeneous or exploit only heterogeneity on a single dimension, such as temporal proximity or modality, overlooking the interactions among them. To this end, we introduce TriAxialKV, a novel mixed-precision KV-cache quantization scheme that assigns each token a triaxial tag, calibrates per-tag sensitivity, and allocates INT2/INT4 bitwidths under a fixed memory budget. We implement TriAxialKV as an end-to-end serving system, comprising calibration, mixed-precision quantization and memory management, and custom fused Triton decode kernels. When using Qwen3-VL-32B-Thinking as a computer-use agent operating the OSWorld, TriAxialKV matches the accuracy of SGLang with BF16 KV cache while supporting 4.5$\times$ KV cache size and achieving 30% higher end-to-end throughput, when running on real GPU systems.
Authors: Jon Saad-Falcon, Avanika Narayan, Robby Manihani, Tanvir Bhathal, Herumb Shandilya, Hakki Orhun Akengin, Gabriel Bo, Andrew Park, Matthew Hart, Caia Costello, Chuan Li, Christopher R\'e, Azalia Mirhoseini
Abstract: Personal AI stacks, like OpenClaw and Hermes Agent, are becoming central to daily work, yet they route nearly every query (often over sensitive local data) to cloud-hosted frontier models. Replacing frontier models with local models inside existing stacks does not work: swapping Claude Opus 4.6 for Qwen3.5-9B drops accuracy by 25-39 pp across personal AI tasks like PinchBench and GAIA. Existing stacks bundle agentic prompts, tool descriptions, memory configuration, and runtime settings around a specific cloud model. Only the prompts can be tuned, and state-of-the-art prompt optimizers close just 5 pp of the local-cloud gap on their own. This motivates a decomposed personal AI stack: one that exposes individual primitives which can be optimized individually or jointly to close the local-cloud gap. We present OpenJarvis, an architecture that represents a personal AI system as a typed spec over five primitives: Intelligence, Engine, Agents, Tools & Memory, and Learning. Each primitive is an independently editable field, making the stack end-to-end optimizable and measurable against accuracy, cost, and latency. Towards closing the local-cloud gap without surrendering local-model properties, OpenJarvis introduces LLM-guided spec search, a local-cloud collaboration in which frontier cloud models propose edits across the spec at search time, only non-regressing edits are accepted, and the resulting spec runs entirely on-device at inference time. With LLM-guided spec search, on-device specs match or exceed cloud accuracy on 4 of 8 benchmarks and land within 3.2 pp of the best cloud baseline on average. They also reduce marginal API cost by ~800x and end-to-end latency by 4x.
Authors: Faris Chaudhry
Abstract: We develop a geometric theory of projection heads in self-supervised learning by modeling the head as a trainable Riemannian metric on the backbone representation manifold. We show that linear heads perform implicit subspace whitening, while nonlinear heads adapt local metrics to satisfy the specific topological constraints of the loss, with head depth empirically dictating this capacity. Analyzing dimensional collapse, we prove that smooth nonlinear heads natively induce negative eigenvalues in the Hessian at collapsed equilibria, making them unstable. We empirically validate this by continuously tracking the optimization geometry during training, which reveals that smooth activations like Swish can generate explicit negative curvature to escape collapse, whereas linear and ReLU heads under continuous-time gradient flow cannot, relying instead on discrete-time optimization dynamics and BatchNorm. Finally, we geometrically characterize how metric degeneracy governs the information-invariance trade-off, explaining why the head must be discarded. Evaluated across contrastive and decorrelation-based objectives on foundation models, our results demonstrate that the projection head acts as a universal geometric buffer, decoupling the semantic backbone from the rigid, destructive constraints of the pretraining objective.
Authors: Nhut Le, Ehsan Karimi, Maryam Rahnemoonfar
Abstract: Post-disaster damage assessment requires rapid and accurate semantic segmentation of 3D point clouds to identify critical infrastructure such as damaged buildings and roads. Early Point Transformers (e.g., PTv1, PTv2) relied on computationally expensive neighbor searching (k-NN) and Farthest Point Sampling (FPS). To improve efficiency, recent architectures like Point Transformer V3 (PTv3) adopted static serialization methods, such as Hilbert curves or Z-order, to organize unstructured points for window-based attention. However, these fixed orderings are not optimal for capturing the complex geometry of disaster scenes. In this paper, we propose OPTNet (Ordering Point Transformer Network), which introduces a learnable Point Sorter module. OPTNet utilizes a self-supervised ordering loss to dynamically predict an optimal permutation that maximizes the locality of the attention mechanism. We evaluate our method on the 3DAeroRelief dataset, significantly outperforming state-of-the-art baselines.
Authors: Paulo Akira F. Enabe
Abstract: A unified framework for learning under covariate shift is presented, in which a constrained density-ratio network approximates the Radon-Nikodym derivative $r^\star = dP/dQ$ from source $Q$ to target $P$, supports an importance-weighted empirical risk, and feeds an anytime PAC-Bayes generalization certificate. A change-of-measure identity decomposes the gap between target risk and importance-weighted source risk into a ratio-bias term, controlled by the $L^2(Q)$ closeness of the learned ratio to $r^\star$, and a generalization-gap term, controlled by the variability of the weighted loss. Three structural identities of a Radon-Nikodym derivative, normalization, moment matching, and a second-moment penalty controlling the effective sample size, are imposed as hard integral constraints through an augmented-Lagrangian scheme. PAC-Bayes is then instantiated on the weighted risk in a fixed-time regime that yields Bernoulli-KL bounds, a KL-regularized objective whose minimizer is the network-weighted Gibbs posterior, and a stability statement on $L^2(Q)$ perturbations of the learned ratio, and in an anytime regime that builds a time-uniform certificate by geometric peeling across epochs. A pre-registered two-campaign protocol combining a patch test against analytic ground truth with a real-data deployment under intrinsic distribution shift validates the framework. The network produces a calibrated covariate ratio on real data, reduces the target $0/1$ loss relative to unweighted empirical risk minimization and to classical direct ratio-estimation baselines, and attains the anytime certificate as the construction promises. A single pre-registered failure of the fixed-time coverage claim is recorded, with per-split coverage aligning one-to-one with the magnitude of the label shift, confirming that the covariate-only assumption is operationally tight rather than a defect of the certificate.
Authors: Sihan Wang, Jiayi Zhao
Abstract: Activation steering methods modify intermediate representations of language models to control output behavior, but universally assume the activation space is Euclidean. We show this assumption fails drastically: the local geometry induced by the model's own output behavior -- the Fisher information metric of the softmax layer, pulled back through the Jacobian of subsequent layers -- deviates from the Euclidean metric by over 97% in relative spectral norm on GPT-2, with an effective dimensionality of only 2--17% of the ambient space. From this pullback Fisher metric, we derive a closed-form steering equation that identifies the minimum-distortion direction for any target concept, yielding a closed-form optimal direction at each point that can be applied iteratively without manifold fitting or data-driven geometry estimation. We call the resulting framework FishBack. The metric admits a layer-wise recursive decomposition, which reveals that existing methods -- CAA, ActAdd, ITI, and others -- each implicitly adopt a particular approximate metric, and that their performance gaps are quantitatively predicted by a single spectral diagnostic: the ratio of their implicit metric's cost to the Fisher-optimal cost. On GPT-2, iterative pullback steering consistently outperforms all Euclidean baselines across three verb-morphology concepts and four layers, with off-target KL reductions of $1.3\times$--$2.5\times$ relative to Euclidean gradient ascent and $1.5\times$ relative to CAA at matched concept probability.
Authors: Kelvin Kan, Xingjian Li, Benjamin J. Zhang, Tuhin Sahai, Stanley Osher, Markos A. Katsoulakis
Abstract: Discrete diffusion has become a leading framework for generative modeling in various applications including language, vision, and biology. Existing convergence theory, however, exhibits fundamental limitations. KL-based analyses diverge under singular priors such as the masked distribution, while bounds in total variation (TV) depend on the state space size $S$ and become vacuous for modern language tasks, where vocabularies contain hundreds of thousands of tokens. We develop a unified adjoint-equation-based framework that establishes dimension-free convergence guarantees in any integral probability metric (IPM). To the best of our knowledge, our bounds are the first to be entirely free of $S$ and applicable to both masked and uniform priors. Importantly, our theory relies only on a single standard rate-matrix regularity assumption and is compatible with time-inhomogeneous schedules. Four novel techniques drive our improvements: working in the space of observables via adjoint equations rather than directly with probability measures, a regularity analysis that yields bounds on any IPM, a coupling argument that removes $S$-dependence under uniform transitions, and a score-marginal cancellation technique that removes $S$-dependence under masked transitions. Our framework thus sharply departs from prior analyses and avoids the shortcomings of pathspace-KL and existing TV-based approaches. Beyond convergence bounds, our framework provides a versatile toolkit for further theoretical study of discrete diffusion models.
Authors: Viktoria Schram, Markus Hiller, Daniel Beck, Trevor Cohn
Abstract: Predicting model performance at larger scales enables the design of training strategies and architectures tailored to specific performance targets. Empirical scaling law research identifies functional forms to aid this prediction task. These describe the relationship between loss and compute using a loss-compute frontier defined by learning curves. Due to the empirical nature of this approach, the computational burden is substantial, making strategic resource allocation essential - yet it remains surprisingly underexplored. In this work, we address this shortcoming by exploring the suitability of Successive Halving (SH) and SH combined with parametric and non-parametric surrogate models. In addition to enabling a more systematic allocation of a given compute budget, our findings show that SH paired with surrogate models yields a set of learning curves that includes one with a lower loss-compute value than what naive uniform allocation or an SH-only approach can obtain. Our experiments demonstrate mean relative improvements of up to 2.84% and 5.47% on real-world and synthetic learning curve datasets. This strategic resource allocation enables us to obtain accurate scaling laws at significantly reduced computational costs, saving up to 98.7% over the traditional exhaustive approach.
Authors: Xi Chen, Shibo Dai, Jiameng Lyu, Yuan Zhou
Abstract: We study the dynamic joint assortment selection and positioning problem, where the attraction of each product depends on both its intrinsic appeal and its display position under a Multinomial Logit (MNL) choice framework. Our study ranges from the multiplicative position effects model, in which each product's attraction is scaled by a position-specific factor, to a general position effects model assigning independent attraction parameters to every product--position pair to capture heterogeneous synergies. For both models, we design round-based learning algorithms that update decisions after every single feedback, and establish the first regret-optimal characterization. Besides, our round-based algorithms provide the prompt operations needed by modern platforms. For the multiplicative model, we develop a cross-position pairwise maximum likelihood estimator with a clipping mechanism, and prove that our algorithm P2MLE-UCB attains a regret of $\tilde{O}(\sqrt{NT})$, matching the lower bound and closing the $\sqrt{K}$ gap left by prior epoch-based analyses. For the general model, we establish a minimax lower bound and propose GP2-UCB with a matching upper bound. Moreover, we design an efficient subroutine for the per-round joint assortment and positioning optimization based on Dinkelbach's method and maximum-weight bipartite matching. Numerical experiments on synthetic data and the Expedia dataset show that our algorithms consistently outperform state-of-the-art benchmarks.
Authors: Chenrui Ma, Xi Xiao, Lin Zhao, Tianyang Wang, Ferdinando Fioretto, Yanning Shen
Abstract: Iterative generative models such as Flow Matching and Diffusion models have demonstrated strong test-time scaling behavior, where additional inference computation can improve generation quality. In contrast, Drift Models offer efficient one-step generation, but their direct generation paradigm limits such flexibility. In this work, we propose Drift Flow Matching (DFM), a framework that connects drifting generative modeling with flow-based iterative generation. DFM preserves the efficiency of direct transport maps while enabling generation to be refined through multiple inference steps when desired. This bridges the gap between one-step Drift Models and multi-step Flow Matching methods, and provides a novel generative paradigm that can adapt sampling computation to different quality--efficiency requirements. Extensive experiments across different tasks and datasets demonstrate the effectiveness and generality of the proposed framework.
Authors: Ferhat Erata, Hao Zhou, Luke Huan
Abstract: We introduce fidelity probes: natural-language questions generated from a reference artifact with code-derived ground-truth answers, answered from a candidate specification. The fraction of agreeing probes, which we call the fidelity, decomposes into contradiction and coverage-gap rates that drive targeted spec edits to convergence. On a 15-program, roughly 12k-line COBOL benchmark (AWS CardDemo), we raise frozen-test specification fidelity from 0.63 to 0.94 over eight iterations, with the plateau location predicted by a two-state Markov fixed point $F^\dagger$ from just four iterations of rate data. Probes come from an LLM reading the code or from a static-analysis pipeline over its control-flow, data-flow, and system-dependence graphs, with a tunable mixture. A probe-resampling protocol with a frozen held-out set gives a Hoeffding-bounded overfitting discriminant; our measured train/test gap stays more than an order of magnitude below this envelope. Three graph-grounded mixtures lift fidelity by +16 to +30 points; cross-distribution evaluation shows the LLM and symbolic channels are empirically complementary. A cross-family generator sweep on five independent LLM lineages (Anthropic, DeepSeek, Google, Alibaba, OpenAI) confirms the convergence behaviour is not tied to any single model family: three of five non-Claude generators produce trajectories consistent with the Markov fixed-point prediction, and the frozen-test protocol actively falsifies the two generators whose probe distributions drift across iterations. The method applies to any pair of artifacts that are supposed to describe the same behaviour.
Authors: Haochun Wang, Ruichen Xu, Georgios Kementzidis, Karen Cho, Sebastian Ramirez Villarreal, Yuefan Deng
Abstract: Test-time adaptation (TTA) has recently emerged as a promising approach for improving time series forecasting (TSF) under distribution shift. Existing TSF-TTA methods differ in how they utilize revealed targets, yet the resulting adaptation protocols remain heterogeneous and lack a clearly unified formulation. To address this issue, we revisit TSF-TTA from the perspective of protocol cleanliness and propose an adaptation protocol based solely on matured ground truth, yielding a more principled setting for adaptation. Under this protocol, we further diagnose existing adapters in the frequency domain and find that their prediction corrections often exhibit limited and weakly structured spectral modifications. Motivated by this diagnosis, we propose Frequency-Aware Calibration (FAC), a lightweight calibration method that directly parameterizes prediction corrections in the frequency domain. Across diverse datasets, forecasting horizons, and source forecasters, FAC achieves competitive and consistent performance while requiring substantially fewer trainable parameters than the compared TSF-TTA adapters.
Authors: Di Hu, Kun Li, Haojie Rao, Longtao Hu, Jiameng Chen, Wenbin Hu, Yizhen Zheng, Jiajun Yu, Duanhua Cao
Abstract: Accurate prediction of molecular properties underpins drug discovery and material design, yet even state-of-the-art models remain vulnerable to localized failure modes that aggregate metrics cannot detect. The places where molecular similarity should be most helpful are also places where standard evaluation can be most misleading. Property cliffs expose this gap: structurally similar molecules can still differ sharply in target property, so models with competitive overall performance may fail in high-risk local neighborhoods. To expose and mitigate this failure mode, CliffSplit, a cliff-aware evaluation protocol that constructs locally supported, cliff-exposed test cases, and CliffLoss, a model-agnostic train-only mitigation mechanism for cliff-sensitive errors, are introduced. Experiments on three QM9 targets and three MoleculeNet tasks across five backbones show that CliffSplit reveals at least 15% higher error in cliff-heavy QM9 regions, while CliffLoss reduces the cliff-to-smooth error gap by up to 30% on Lipophilicity and improves overall MAE by 9.7%. Together, these results turn molecular similarity failure from a descriptive anomaly into a benchmarked evaluation problem for molecular machine learning. The code is available at https://anonymous.4open.science/r/Cliff_Loss.
Authors: Maximilian Fichtl, Crist\'obal Guzm\'an, Nishant A. Mehta
Abstract: This work introduces a general framework for calibeating based on regret minimization. As compared to Foster and Hart's seminal calibeating work which had specialized treatments of Brier score (squared loss) and log loss, we consider a large family of proper losses that includes $\alpha$-Tsallis losses (for $\alpha \in [1, 2]$) and Lipschitz losses. Our results for Tsallis losses also hold for an unscaled version of Tsallis loss that recovers log loss. Our analysis is oriented around the Bregman divergence view of a proper loss. Technically, our results for the family of Tsallis losses that we consider are U-calibration results, simultaneously obtaining logarithmic regret for all losses in this family while having a weaker dependence on the dimension compared to previous results. Of potential independent interest, we also show a new regret equality for the regret of Be The Regularized Leader. This regret equality holds for general proper losses and itself is based on two results related to online updating formulas for the generalized variance, the latter being a previously introduced generalization of variance based on Bregman divergences.
Authors: YongKyung Oh
Abstract: State-of-the-Art (SOTA) claims pervade Artificial Intelligence (AI) and Machine Learning (ML) research. These claims rest on benchmark evaluations, where models are ranked by aggregate scores across tasks. Public benchmarks or leaderboards are the most visible instance, but the same structure appears in paper tables throughout the literature. However, such minimal evidence often cannot support these strong claims. We identify a widespread claim-evidence gap in AI benchmarking. Claiming SOTA carries implicit assumptions beyond mean score superiority, suggesting that a model meaningfully outperforms alternatives across most tasks. However, a marginal improvement in the mean score merely indicates a top average rank rather than true superiority. Analyzing ten cross-domain benchmarks from public leaderboards, we found that in more than half of top-model comparisons, at least one commonly assumed property of superiority does not hold. These properties include meaningful effect size, consistency across tasks, or robustness to dataset removal. Instead, aggregate gains are frequently driven by outlier datasets. This fragility persists even in benchmarks with many tasks. We argue that claim language should reflect the strength of the underlying evidence. This requires no additional experiments, only honest reporting of what results actually show, enabling more precise and interpretable comparisons across models.
Authors: Jiawei Li, Fabio Bonassi, Ming Jin, Stefan Gustafsson, Johan Sundstr\"om, Thomas B. Sch\"on, Ant\^onio H. Ribeiro
Abstract: While scaling laws have established a fundamental framework for foundation models in natural language processing, their applicability to electrocardiogram (ECG) models remains poorly characterized. Indeed, recent studies do not always yield consistent downstream gains as one increases the model size or pre-training dataset size of ECG models, leaving the exact roles of architectural inductive biases, pre-training paradigms, and expected improvements with size largely unanswered. In this work, we systematically investigate neural and loss-to-loss scaling laws within the ECG domain. By pre-training over $120$ models (ranging from $20$K to $200$M parameters) on the large-scale CODE dataset ($2.3$M records), we decouple the effects of model architecture (ResNet vs. Transformer) and pre-training paradigm, namely supervised learning (SL) versus self-supervised learning (SSL). We found that (i) SL models are data-bottlenecked in-distribution, whereas SSL models scale robustly across both model and data sizes; (ii) for out-of-distribution (OOD) generalization, ResNets are $1.3$ to $2.5$ times more parameter-efficient than Transformers, while SSL is up to $16$ times more data-efficient and achieves up to $7.6$ times higher transfer efficiency than SL on unseen clinical tasks; (iii) across the observed scales, ResNet-based models generally achieve the lowest OOD loss, with SSL dominating on unseen clinical tasks and self-supervised Transformers overtaking at very large model sizes. Our results suggest that the path to effective ECG foundation models lies in the strategic alignment of architecture and paradigm rather than brute-force scaling.
Authors: Hyunju Kang, Geonhee Han, Hogun Park
Abstract: Node representation learning, such as Graph Neural Networks (GNNs), has emerged as a pivotal method in machine learning. The demand for reliable explanation generation surges, yet unsupervised models remain underexplored. To bridge this gap, we introduce a method for generating counterfactual (CF) explanations in unsupervised node representation learning. We identify the most important subgraphs that cause a significant change in the k-nearest neighbors of a node of interest in the learned embedding space upon perturbation. The k-nearest neighbor-based CF explanation method provides simple, yet pivotal, information for understanding unsupervised downstream tasks, such as top-k link prediction and clustering. Consequently, we introduce UNR-Explainer for generating expressive CF explanations for Unsupervised Node Representation learning methods based on a Monte Carlo Tree Search (MCTS). The proposed method demonstrates superior performance on diverse datasets for unsupervised GraphSAGE and DGI.
Authors: Mohammad Mozaffari, Younes Hourri, Mohammad Rastegari, Mahyar Najibi
Abstract: Unstructured sparsity is now natively accelerated by recent GPU kernels and dataflow hardware, shifting the bottleneck from inference execution to the pruning algorithm. State-of-the-art methods for unstructured LLM pruning are layer-wise surrogates derived from the Optimal Brain Surgeon principle, and they sacrifice end-to-end accuracy, especially under aggressive sparsity. End-to-end alternatives such as MaskLLM and PATCH show that learnable masks can close this gap, but their categorical-over-patterns parameterization scales with the number of valid masks per row and does not port to the unstructured setting. We introduce LEAP, which replaces this intractable parameterization with a per-weight Bernoulli-via-Gumbel- sigmoid relaxation that makes end-to-end unstructured mask learning tractable. Across five LLM families from 0.5B to 8B parameters at 50% and 60% sparsity, LEAP improves six-task average zero-shot accuracy by +2.59 points on average over ADMM, the best layer-wise baseline in our sweep.
Authors: Weichu Xie, Haozhe Zhao, Wenpu Liu, Yongfu Zhu, Liang Chen, Minghao Ye, Zirong Chen, Yuqi Xu, Shuai Dong, Ziyue Wang, Xinbo Xu, Kean Shi, Ruoyu Wu, Xiaoying Zhang, Wenqi Shao, Baobao Chang, Nan Duan, Jiaqi Wang
Abstract: Reinforcement Learning with Verifiable Rewards (RLVR) is widely used to improve reasoning in large language models, but rewards only final-answer correctness with no supervision over intermediate steps. Rubric-based methods such as Rubrics as Rewards (RaR) introduce finer-grained supervision by scoring rollouts against structured criteria, yet the rubric scores are still aggregated into a single scalar applied to the entire response, causing three weaknesses: loss of multi-criterion structure, uniform supervision of correct and incorrect steps, and reward hacking through unbounded self-correction. On 1,000 problems, we find 18.2% of steps in correct-answer responses are wrong yet positively rewarded, while 49.9% of steps in incorrect-answer responses are correct yet penalized. We introduce Step-wise Rubrics as Rewards (SRaR), an RLVR framework that (i) uses an LLM judge to attribute each rubric item to a specific reasoning step, (ii) normalizes per-step rubric scores across rollouts so only steps whose quality varies produce a learning signal, and (iii) combines the per-step reward with the outcome reward through a decoupled advantage estimator that keeps the outcome baseline stable. We further build a 16K-problem rubric dataset by contrastively distilling rubric items from correct and flawed reasoning paths sampled from a strong model. Across six mathematical reasoning benchmarks, SRaR improves average accuracy over RaR by 3.57 points on Qwen3-8B and 2.75 points on Qwen3-32B, raises the Faithful Reasoning Rate on AIME 2025 from 34.5% to 46.7%, and reduces self-correction looping from 48.1% to 26.5%.
Authors: Shaobo Wang, Yujie Chen, Yafeng Sun, Wenjie Qiu, Zhihui Xie, Sihang Li, Yucheng Li, Huiqiang Jiang, Xingzhang Ren, Xuming Hu, Dayiheng Liu, Linfeng Zhang
Abstract: Modern reasoning agents are increasingly evaluated on their ability to generate multiple valid solution paths, plans, or tool-use traces for a given input. Standard reward-maximizing RL tends to collapse onto the most easily reinforced high-reward mode, whereas distribution-matching RL aims to allocate probability mass across the entire reward-shaped solution set. Achieving this objective requires computing a prompt-dependent partition function over the trajectory space. Because existing distribution-matching methods learn this partition function online alongside the policy, calibration errors in the partition function directly distort policy updates and remain impossible to diagnose independently. We introduce DISA, short for Decoupled Importance-Sampled Anchoring, which moves this calibration problem outside the RL loop. DISA draws proposal trajectories offline, estimates the partition function via importance sampling, and freezes the resulting partition-function estimate before policy optimization begins. This decoupling preserves the distribution-matching objective while strictly separating partition-function estimation from policy learning in data, gradients, loss, and diagnostics. Empirically, on two open-weight backbones across six math and three code benchmarks, DISA matches or exceeds the online-coupled distribution-matching baseline FlowRL, outperforms rewardmaximization baselines GRPO and GSPO on math averages, and exceeds LoRASFT distillation by up to 13.8 Mean@8 points on the same offline trajectories. An LLM-as-judge evaluation further shows that DISA retains substantially more strategy-level diversity than reward-maximization baselines, and sensitivity studies on the proposal strength and inverse temperature follow the bias-variance pattern predicted by the analysis.
Authors: Natalia Trukhina, Vadim Vashkelis
Abstract: LLM context is not just tokens; it is a set of commitments. Long-running conversations accumulate goals, constraints, decisions, preferences, tool results, retrieved evidence, artifacts, and safety boundaries that future responses must preserve. Existing context-management methods reduce length through truncation, retrieval, summarization, memory systems, or token-level prompt compression, but they rarely specify which semantic commitments must survive compression or how their preservation should be measured. We propose Context Codec, a commitment-level framework for compressing prompts and chat histories. Context Codec represents dialogue state as typed, source-grounded semantic atoms with canonical identity, equivalence, conflict, confidence, risk, and evidence spans. It separates five concerns - extraction, normalization, representation, rendering, and verification - and introduces metrics for Critical Atom Recall, Weighted Atom Recall, Commitment Density, and round-trip recoverability. It also defines a taxonomy of semantic compression errors, a concrete normalization procedure, conservative fallback rules for low-confidence and safety-critical atoms, and Context Compression Language (CCL), an ASCII-first compact rendering of canonical JSON atoms. In a small diagnostic study, CCL-Core occupies a useful middle ground between structured prose and JSON: more explicit and auditable than prose, usually more compact than JSON, and less risky than heavily minified notation. The result is not a claim that shorthand solves compression, but a framework for making context compression verifiable: compress the conversation, keep the commitments.
Authors: Keshu Wu, Sixu Li, Zihao Li, Zhiwen Fan, Xiaopeng Li, Yang Zhou
Abstract: Sensor networks increasingly govern modern infrastructure, yet the data they lose are rarely missing in the uniform-random patterns assumed by standard imputation benchmarks. Loop detectors go offline during calibration, roadside cabinets silence clusters of nearby sensors, and newly installed instruments provide no history. Such failures create structured absences whose values are constrained by higher-order relations among groups of sensors, not merely by pairwise proximity. Existing low-rank and graph-based methods often miss this collective structure and can fail when missingness becomes coherent. We introduce Multi-Scale Hypergraph Laplacians (MSHL), a two-stage framework for learning higher-order structure from incomplete spatiotemporal observations. The Discovery stage builds a multi-scale hypergraph from complementary topology and residual-correlation evidence, with an observation-only selector that adapts to the supported interaction scale. The Refinement stage adds a small hypergraph-conditioned residual network that is safe by construction: it learns nonlinear corrections where informative residual features exist and defers to the linear estimate where they do not. We prove that MSHL represents group-conservation patterns inaccessible to pairwise graph priors, adapts to the best fixed scale up to a logarithmic factor, transfers this advantage to held-out imputation error, and admits a one-sided refinement guarantee. On two real traffic networks evaluated across scattered cell missingness, contiguous block outages, and whole-sensor blackouts at five rates, MSHL improves over a pairwise-graph baseline whenever higher-order structure is identifiable and otherwise matches it within sampling noise. The results point to a broader principle for reliable infrastructure learning: missing data should be treated not as isolated entries to fill, but as evidence of structure to discover.
Authors: Wenpu Liu, Yuqi Xu, Weichu Xie, Yongfu Zhu, Shuai Dong, Ziyue Wang, Wenqi Shao, Xiaoying Zhang, Tong Yang, Nan Duan, Jiaqi Wang
Abstract: Reinforcement Learning from Verifiable Rewards (RLVR) typically samples multiple responses per prompt and assigns binary rewards based on individual correctness, yet the collective structure of the group output, specifically the distribution of errors, is largely discarded. We identify this as a missed opportunity: empirical analysis reveals that error diversity within a group is a strong predictor of training success, with problems eliciting diverse wrong answers benefiting substantially more from RLVR than those producing homogeneous failures. Motivated by this observation, we propose Error Diversity Advantage Shaping (EDAS), a lightweight, algorithm-agnostic technique that modulates the advantage signal for incorrect rollouts based on intra-group error diversity. EDAS amplifies penalties for dominant, repeated errors and attenuates penalties for rare, exploratory ones, thereby encouraging the model to maintain diverse reasoning paths and discouraging error perseveration. Crucially, EDAS operates as a simple post-hoc adjustment that can be seamlessly integrated into any RLVR algorithm. We validate EDAS on top of several mainstream RLVR methods across a series of models and seven challenging math benchmarks, demonstrating consistent improvements. Notably, EDAS yields an average improvement of 6.29 points over DAPO on Qwen3-8B across seven benchmarks, confirming that exploiting the latent information in group rollouts is a broadly effective strategy for strengthening RLVR.
Authors: Ziwei Li, Tao Yuan, Shuzi Niu, Huiyuan Li
Abstract: Sparse matrix reordering can significantly reduce the fill-in during matrix factorization, thereby decreasing the computational and storage requirements in sparse matrix computations. Finding a minimal fill-in ordering is known to be an NP-hard problem. Moreover, there is a paradox: matrix reordering is applied before matrix factorization, but fill-ins that matrix reordering methods aim at are generated from matrix factorization. To bridge the gap between reordering and factorization, we propose a deep learning framework to minimize a fill-in surrogate function based on spectral embedding. First, we employ a multi-grid-like GNN architecture to learn to approximate the smallest eigenvectors of its graph Laplacian matrix, i.e. spectral embedding, and capture the global structural information of the matrix. Then, another multi-grid-like GNN architecture is used to minimize the potential space where fill-in can occur based on the rank distribution. Experimental results indicate that our approach achieves competitive performance compared with traditional graph-theoretic algorithms and deep learning methods.
Authors: Jingru Fei, Kun Yi, Alex Xing Wang, Qingsong Wen, Xiangxiang Zhu, Wei Fan
Abstract: Time series foundation models rely on large-scale pretraining over diverse datasets across domains, yet their heterogeneity in temporal patterns could hinder the effectiveness of training and learning transferable time series representations. Inspired a fundamental concept, normalized power spectral density (PSD) in signal processing, we assume harmonizing datasets via PSDs in the spectral domain could reduce mismatches and enhance pretraining. We then go beyond the direct intractable minimization optimization and innovatively reformulate it as a principled harmonization approach. Specifically, we propose Harmonizer, a module that reshapes spectral structures and implicitly harmonizing PSDs across datasets, which theoretically corresponds to a shared reparameterization of second-order temporal correlations. Our theoretical analysis further reveals token interactions with Harmonizer can be efficiently mediated by a compact set of resonators, motivating a HarmonicAttention design that performs self-attention in a low-dimensional interaction space. Then, we propose Olivia, a novel time series foundation model built upon these harmonization mechanisms. Extensive experiments on two large-scale benchmarks (TSLib and GIFT-Eval) and extra 6 datasets from GluonTS, demonstrate Olivia consistently achieves state-of-the-art performance under zero-shot, few-shot, and full-shot forecasting scenarios. Our code is available at https://github.com/TSTS13/Olivia.
Authors: Xuefei Wang, Jialu Wang, Fengbo Zhang, Yihan Hu, Di Zhang, Yutong Ye, Yikun Ban, Jun Han, Ruijie Wang
Abstract: Multi-agent systems (MAS) powered by large language models (LLMs) have emerged as a powerful paradigm for complex problem solving, where performance critically depends on the underlying inter-agent communication topology. However, existing topology generation methods mainly optimize for isolated tasks, while real-world deployments involve streams of evolving tasks, requiring previously effective collaboration patterns to be retained and reused rather than rediscovered or overwritten. We identify a previously underexplored failure mode, \emph{topology forgetting}, in which adapting to new tasks shifts the topology generator away from communication structures required by earlier tasks. This issue stems from cross-task misalignment in both agent-level functional semantics and relational communication structures. To address this challenge, we propose \textbf{\textsc{MasFACT}}, a geometry-aware posterior transfer framework that preserves and reuses historical collaboration knowledge as transferable topology priors. We transfer these priors across task-specific agent spaces through Fused Gromov-Wasserstein optimal transport and perform PAC-Bayes-guided conservative posterior adaptation to balance task-specific plasticity with structural stability. Experiments across class-, domain-, and task-level continual settings demonstrate that \textsc{MasFACT} consistently improves average accuracy while reducing topology forgetting compared to strong topology generation and replay-based baselines, and can be seamlessly integrated with different MAS topology generators.
Authors: Ziwei Li, Shuzi Niu, Huiyuan Li, Tao Yuan, Wenjia Wu
Abstract: Matrix reordering in large sparse solvers seeks a permutation that minimizes factorization fill-in to reduce memory and computation. Because the minimum fill-in ordering problem is NP-complete and fill-in is implicit in the sparsity pattern, graph-theoretic heuristics are used. Existing reinforcement learning methods either ignore sparsity patterns--missing the global fill-in--or lack local exact fill-in feedback. We propose a graph policy optimization method, modeling fill-ins from global and local views: both the policy and value networks use a multi-hop graph neural backbone to embed global fill-in; the policy further interacts with symbolic factorization over graphs to extract local, step-level fill-ins, and the resulting feedback is aligned with the value network via an adaptive saturation function to improve convergence. On the SuiteSparse Matrix Collection, our method achieves mean reductions of 29.3 in fill-ins and 31.3 in peak memory usage over state-of-the-art baselines.
Authors: Qiran Zou, Hou Hei Lam, Wenhao Zhao, Tingting Chen, Yiming Tang, Samson Yu, Yingtao Zhu, Srinivas Anumasa, Zufeng Zhang, Tianyi Zhang, Chang Liu, Zhengyao Jiang, Anirudh Goyal, Dianbo Liu
Abstract: AI research agents accelerate ML research by automating hypothesis generation, experimentation, and empirical refinement. Existing agent strategies range from greedy hill-climbing to tree search and evolutionary optimization, yet which strategy choices drive performance remains unclear. Answering this question requires a benchmark that separates agent strategy (e.g., search topology) from execution infrastructure (e.g., code editor), so that performance differences are attributable to strategy rather than infrastructure, and that provides process-level metrics beyond final scores to analyze exploration behaviors. Existing benchmarks offer limited support. We propose FML-Bench, a benchmark of 18 fundamental ML research tasks across 10 domains that separates agent strategy from execution infrastructure and defines 12 process-level behavioral metrics. Evaluating six representative agents, we find that: (1) strategy complexity alone does not guarantee strong performance: a simple greedy hill-climber nearly matches the best-performing tree-search agent, both well above the remaining agents; (2) our analysis suggests this pattern relates to improvement opportunity structure: greedy search tends to be more effective when opportunities are dense, while tree-search and evolutionary strategies tend to be more effective when opportunities are sparse; an adaptive agent built on this insight switches to broader exploration upon detecting improvement stagnation and outperforms the other six agents, lending initial support to this observation; and (3) process-level analysis reveals that early convergence and directionally focused exploration are significantly associated with final performance, while solution diversity and compute cost are not. Our benchmark is available at: https://github.com/qrzou/FML-bench.
Authors: Ziwei Li, Tao Yuan, Fangfang Liu, Shuzi Niu, Huiyuan Li, Wenjia Wu
Abstract: Rearranging the rows or columns of a sparse matrix using an appropriate ordering can significantly reduce fill-ins, i.e., new nonzeros introduced during matrix factorization, decreasing memory usage and runtime. However, finding an ordering that minimizes fill-ins is NP-complete. Existing approaches, including graph-theoretic and deep learning methods, rely on surrogate objectives without theoretical guarantees. The Fill-Path Theorem reveals a direct and intrinsic relationship between fill-in generation and the sparse structure of the matrix as path triplet inequalities. Here we first employ a multigrid graph network to capture structural information for each vertex. We then derive a triplet sampling strategy based on inequalities. Finally, we introduce an end-max chain loss function to reduce the number of triplets whose predicted scores satisfy these inequalities. Experimental evaluations on the publicly available SuiteSparse matrix collection demonstrate the superiority of the proposed method in terms of both fill-in reduction and speedup in LU factorization time.
Authors: Tarun Sharma
Abstract: We propose IVF-TQ, an IVF index with a codebook-free residual layer: a fixed random rotation followed by precomputed Lloyd-Max scalar quantization depending only on (b, d). Only the IVF coarse partition is trained. Building on TurboQuant (Zandieh et al., 2025), the design substantially reduces a key failure mode of trained-codebook ANN indexes (PQ, OPQ, ScaNN): staleness under streaming ingestion.Empirical (3 seeds): Per-batch PQ retraining does not recover the streaming gap at any tested bit budget (paired-t p > 0.28 everywhere). On streaming Deep-10M, IVF-TQ holds at 87.4% -> 86.6% (Delta = -0.80 +/- 0.10pp) while IVF-PQ degrades -3.23pp. A shuffled-i.i.d. control on SIFT-1M shows IVF-PQ losing -3.9pp without distribution shift. At higher PQ bit budgets (~1.5x IVF-TQ memory), absolute recall favors PQ as expected from rate-distortion (+6.1pp Deep-10M; +2.0pp SIFT-10M); the durable IVF-TQ benefit is operational (no codebook to retrain), robust across memory regimes.Prior art: IVF around a codebook-free residual quantizer is architecturally not new -- IVF-RaBitQ ships in Milvus, cuVS, LanceDB, Weaviate; Shi et al. (2026) is concurrent GPU work. TurboQuant itself tests only flat-rotation ANN.Contributions: (i) A multi-seed streaming-operational story for codebook-free IVF: 10M-scale evidence across PQ memory budgets. (ii) A uniform-over-sphere IP-error bound for the TQ residual quantizer with one fixed rotation (proof sketch in v1; rigorous in v2). (iii) Adaptive IVF-TQ: a partition-only refresh recovering 67% -> 97.8% under worst-case rotation shift with re-ranking (90.3% without).Code, data: https://github.com/tarun-ks/turboquant_search
Authors: Ren Ozeki, Hamada Rizk, Hirozumi Yamaguchi
Abstract: Rainfall-induced landslides pose a growing risk worldwide as climate change intensifies extreme rainfall events. To provide sufficient evacuation time, landslide early warning systems (LEWS) for real-time disaster monitoring must estimate near-future landslide risk by integrating observed rainfall with short-term rainfall forecasts from spatio-temporal environmental data streams. Although recent landslide prediction methods have improved predictive performance using statistical and deep learning approaches, most assume accurate rainfall inputs. In operational settings, however, landslide prediction relies on rainfall forecasts, which often contain spatial displacement of rainfall fields due to forecasting uncertainties. Such displacement can alter local accumulated rainfall and degrade prediction accuracy. To address this challenge, we propose a novel LEWS robust to rainfall field displacement. The key idea is to learn latent representations from rainfall and terrain data that remain stable under displacement in rainfall field motion, enabling reliable geospatial data integration for landslide risk estimation. The landslide prediction model is trained using Rainfall-Motion-Aware Contrastive Learning (RMCL), which introduces temporally correlated rainfall field perturbations to emulate forecast-induced displacement in rainfall-driven spatio-temporal environmental data streams. Experiments were conducted using two years of rainfall and terrain data across Japan, covering 19 regions with landslide events. The proposed system achieved up to 37% higher precision than state-of-the-art baselines. These results demonstrate that modeling rainfall as a moving spatial field and addressing rainfall field displacement during learning significantly improve the reliability of short-term landslide prediction in operational early warning systems.
Authors: Wu Yang
Abstract: Our preliminary experiments on gym-DSSAT maize irrigation tasks revealed that +/-2 degrees C temperature noise causes an 11.9% reduction in economic returns for PPO policies trained under clean conditions - a systematic robustness deficit that existing research has not adequately addressed. This paper tackles three interconnected limitations impeding practical deployment of agricultural RL systems: the trade-off between early-stage learning efficiency and late-stage generalization capability; the naive additive combination of intrinsic and extrinsic rewards in exploration-augmented PPO; and uniform measurement noise injection strategies that disregard empirically validated differential sensitivity across agricultural state variables. We introduce three systematic innovations: Progressive Generalization Augmentation (PGA) implementing a three-phase curriculum (clean training 0-800 episodes, progressive 800-1200, full augmentation 1200-2000); a deeply coupled RND-PPO architecture with dual-channel GAE normalization, progress-decayed intrinsic coefficients, and semantic discretization; and domain-prioritized noise injection with hierarchical activation. Our experimental evaluation demonstrates: 8.43% yield improvement and 16.42% nitrogen use efficiency improvement over SOTA BERT-DQN in Florida; 5.61% yield improvement in Zaragoza (though 3.67% lower economic score due to challenging Mediterranean climate); and 94.4% vs 80.0% performance retention under combined perturbations. All experiments used 5 random seeds on NVIDIA A100 GPUs with 4.2+/-0.3 hours per run (2000 episodes, 2048-step buffer, 64 mini-batch size).
Authors: Ningkang Peng, Jingyang Mao, Xiaoqian Peng, Weiguang Qu, Yanhui Gu
Abstract: Noisy-label methods often estimate sample reliability from forward-space signals such as loss, confidence, or entropy. These signals indicate whether a sample is difficult to predict, but they do not directly test whether its observed label induces a reliable parameter update. This gap matters because hard clean samples and mislabeled samples can have similar loss while inducing different updates. We recast reliability estimation as diagnosis of the observed-label update. The sample-wise empirical Fisher trace gives a backward-space measure of update energy: for the classifier layer, it factorizes into a prediction-residual term and a feature-sensitivity term, so it captures information beyond scalar loss. Trace, however, is still a radial magnitude signal and cannot decide whether a large update is useful or harmful. We therefore propose Relative Geometric Conflict (RGC), which compares the observed-label gradient with a reference gradient induced by an EMA teacher. The conflict term helps distinguish large but aligned hard-clean updates from large conflicting updates caused by corrupted labels. Across synthetic and real-world noisy-label benchmarks, RGC improves hard-clean preservation and accuracy under our evaluation protocol.
Authors: Himchan Hwang, Hyeokju Jeong, Gene Chung, Seungyeon Kim, Sangwoong Yoon, Frank Chongwoo Park
Abstract: We propose MATE, a simple yet effective memory architecture for solving Contextual Markov Decision Processes (CMDPs), a family of MDPs parameterized by an unobserved context. In CMDPs, an optimal agent can adapt online by maintaining the posterior belief over contexts. MATE replaces this intractable posterior with a sum-aggregated memory, leveraging the posterior's permutation invariance to retain provably sufficient expressiveness. Compared to prior memory architectures, MATE avoids the growing per-step rollout cost of Transformers and the gradient issues commonly associated with Recurrent Neural Networks (RNNs). Extensive evaluations across diverse benchmarks demonstrate that MATE provides clear computational advantages while achieving performance comparable to standard sequence-model baselines.
Authors: Haichao Sha, Zihao Wang, Yuncheng Wu, Hong Chen, Wei Dong
Abstract: Large language models (LLMs) are commonly adapted to downstream tasks through fine-tuning, but fine-tuning data often contains sensitive information that may be leaked by the resulting model. Differential privacy (DP) offers formal protection against such leakage, yet DP fine-tuning of LLMs still suffers from substantial utility degradation due to gradient clipping and noise injection. Existing work improves this trade-off by combining DP with parameter-efficient fine-tuning methods such as LoRA, which constrain the form of updates. In this work, we study a complementary direction: selective fine-tuning, which constrains where updates are applied. We propose DP-SelFT, a framework for differentially private selective fine-tuning of LLMs. DP-SelFT addresses three DP-specific challenges in parameter selection: avoiding repeated privacy cost, improving stability under noisy estimates, and selecting parameters that remain useful under clipped and noisy updates. It first constructs a lightweight DP synthetic dataset and performs selection only on this synthetic data, so the selection stage incurs no additional privacy cost. It then conducts layer-level selection by temporarily training candidate layer subsets on a synthetic training split and evaluating them on a synthetic validation split. Crucially, this temporary training is performed under a perturbation regime matched to downstream DP fine-tuning, with worst-case perturbations of the same scale as DP noise. This favors layer subsets that are not only learnable but also robust to noisy private updates. Experiments on benchmark tasks show that DP-SelFT consistently improves the privacy--utility trade-off over existing DP fine-tuning baselines under the same privacy guarantees.
Authors: Tianxiang Xu, Xiaoyan Zhu, Xin Lai, Jiayin Wang
Abstract: Text classification models are typically trained via supervised fine-tuning (SFT). However, SFT essentially performs behavior cloning from instance-wise labels and thus fails to adequately capture relative preference relations among samples, which limits the model's ability to shape decision boundaries and calibrate predictive confidence. In this paper, we propose ClaHF, a human feedback-inspired reinforcement learning (RL) framework for text classification that integrates preference modeling and RL optimization into the classification pipeline without requiring additional human annotations. Unlike prior work that relies solely on instance-wise supervision, ClaHF constructs multiple candidate predictions together with their relative ranking relations, and jointly models the Top-1 preference and the ordering among non-optimal candidates within a reward model (RM). This design converts conventional label supervision into preference signals that are directly applicable to policy optimization. We conduct systematic evaluations on eight classification tasks spanning three categories of scenarios. Results demonstrate that ClaHF consistently improves both classification performance and confidence calibration across diverse language models (LMs). The data and code are available at https://anonymous.4open.science/r/ClaHF.
Authors: Rafat Ashraf Joy, Elena Zheleva
Abstract: Learning causal relations from observational data is challenging because the graph search space grows super-exponentially with the number of variables. Ordering-based methods reduce this space by first identifying the topological ordering, whereas continuous optimization methods explore most likely regions of the space by casting DAG learning as a differentiable objective with an acyclicity constraint. Despite their conceptual appeal, both paradigms face significant scalability limitations in high-dimensional settings, restricting their practical applicability. In this work, we introduce a new formulation for linear causal discovery that tightly integrates these two paradigms to achieve substantial gains in scalability without sacrificing accuracy. Our approach, TriOpt, decomposes the problem into two efficient stages. First, it recovers the topological ordering by exploiting the Sherman-Morrison rank-1 downdate together with the additive structure of linear kernels, enabling fast and scalable ordering estimation. Second, given this ordering, we reformulate structure learning as a convex continuous optimization problem that entirely avoids the need for enforcing costly acyclicity constraints. We theoretically show that, under the true ordering, TriOpt exactly recovers the underlying linear DAG. Empirically, across synthetic, semi-synthetic, and real-world datasets, TriOpt achieves orders-of-magnitude speedups over state-of-the-art linear causal discovery methods in high-dimensional regimes, while maintaining comparable or superior accuracy.
Authors: Dongyue Li, Zechun Liu, Kai Yi, Zhenshuo Zhang, Changsheng Zhao, Raghuraman Krishnamoorthi, Harshit Khaitan, Hongyang R. Zhang, Steven Li
Abstract: Quantization-aware training (QAT) is widely adopted to quantize language models by training full-precision weights using gradients from the quantized model. The main bottleneck is its slow convergence and early performance plateau, particularly below 4-bit-widths. While this problem has been observed in prior work, its precise cause remains unclear. In this paper, we analyze the convergence of QAT by estimating the spectrum of the loss-surface Hessians. We find that the weights converge to flat regions around saddle points, where a large fraction of the Hessian eigenvalues are both positive and negative. During training, an increasing fraction of Hessian eigenvalues concentrates around zero, whose magnitude decreases. At lower bit-widths, the magnitude of eigenvalues in the Hessian spectrum is significantly smaller. To mitigate these issues, we propose an algorithm called WinQ to accelerate QAT, which involves: (1) periodically resetting weights to the linear interpolation of full-precision and quantized weights, reducing the distance to the quantization grid and increasing eigenvalue magnitude, and (2) computing gradients of noise-injected weights to regularize the Hessian. Extensive experiments show that WinQ accelerates QAT by up to 4 times across various quantization methods and models. Under the same training cost, WinQ improves state-of-the-art sub-4-bit quantization by up to 8.8%. These results are consistent across 16 settings with different language models, quantization methods, and bit widths.
Authors: Minjong Cheon
Abstract: Deep learning weather prediction models achieve remarkable predictive skill yet remain largely opaque: we know little about how they represent physical climate phenomena internally. Mechanistic interpretability through Sparse Autoencoders (SAEs) offers a principled route to decomposing these representations, but existing SAEs assume strictly linear feature superposition - a constraint ill-suited for the highly nonlinear atmospheric dynamics encoded in modern transformers. We introduce KAN-SAE, a sparse autoencoder whose encoder replaces the standard ReLU with learnable per-feature B-spline activations drawn from Kolmogorov-Arnold Networks (KANs), allowing each latent dimension to develop its own nonlinear gating profile. Applied to Sonny, KAN-SAE discovers 975 alive features (vs. 566 for a linear baseline, a 72% improvement) with 20% lower inter-feature redundancy and comparable reconstruction fidelity. Without any climate supervision, KAN-SAE identifies an interpretable European heatwave feature spatially concentrated over western Europe, and a western Pacific typhoon tracker confirmed by causal steering experiments. Our results demonstrate that nonlinear activations are essential for mechanistic interpretability of deep learning weather prediction models, recovering climate features that remain invisible to linear baselines.
Authors: Zhiquan Tan, Yinrong Hong
Abstract: GRPO-style RLVR trains reasoning models from multiple on-policy attempts per prompt, but typically uses these attempts only through terminal rewards. We show that a mixed group contains a richer process signal: a correct completion is a self-generated witness of how the current policy can solve the problem, while a wrong completion provides on-policy prefixes where the policy needs correction. We introduce \emph{Self-Supervised On-Policy Distillation} (SSOPD), which distills a teacher distribution conditioned on the shortest correct completion into prefixes of the longest wrong completion. This converts intra-group correct--wrong contrast into dense process supervision without external solution traces. A stopping-time view motivates the shortest-correct / longest-wrong rule as a finite-group approximation to editing persistent failures toward fast-success actions, and a prompt-level frontier weight concentrates the auxiliary loss where correct and wrong branches coexist. Across AIME 2024, AIME 2025, and HMMT 2025, SSOPD improves over GRPO in all nine model-benchmark settings. On Qwen3-8B, it reaches a macro Avg@12 of 65.6, outperforming GRPO by 1.6 points and the solution-conditioned OPSD baseline by 0.8 points. Code will be released at https://github.com/tzq1999/SSOPD.
Authors: Alberto Presta, Grzegorz Stefanski, Michal Byra, Krzysztof Arendt
Abstract: Multimodal deep neural networks enhance deep comprehension by integrating diverse data modalities. Data from different modalities are typically projected into a shared latent space for similarity computation, but this process is resource intensive due to large image encoders and equal processing of test data during prediction. Early exit methods reduce computational load by utilizing intermediate layers, saving time and memory. However, developing such methods is challenging for multimodal data like image-text pairs. This study investigates the semantic content distributions present in intermediate layers of encoders such as CLIP, which can be derived from textual descriptions. We introduce Text-Guided Exit Modules (T-GEMs) and a rate-based regularizer to control encoder usage costs while maintaining cross-modal understanding performance.
Authors: Ninad Joshi, Ashutosh Ranjan, Vivek Srivastava, Shirish Karande
Abstract: Generative text-to-image models are typically trained on large-scale web-scraped datasets that include diverse visual content such as copyrighted and stylistically distinctive artworks, raising concerns about ownership, attribution, and the unintended reuse of protected visual expressions. A key issue is that models can learn stylistic patterns from this data and reproduce them in generated outputs without any explicit reference in the prompt. We refer to this phenomenon as The Silent Brush, where such learned styles reappear even when they are not requested. Existing evaluation methods mainly focus on near-duplicate retrieval or membership inference and do not account for this form of unintended stylistic resurfacing across prompts. To address these gaps, we first formulate guiding principles for evaluation of The Silent Brush. We then introduce Art Arena, an evaluation protocol that measures how strongly artworks are encoded, how they interact, and how frequently their stylistic traits reappear in generated outputs without explicit mention in prompts. We evaluate Art Arena on widely used text-to-image diffusion models, including Stable Diffusion v1.5, Stable Diffusion XL (SDXL), and SANA-1.5, and design it to generalize across text-to-image generative systems. Our results show that The Silent Brush arises from differences in representational strength and interaction dynamics between artworks, leading to asymmetric blending in model generations. Code and evaluation resources are available at: https://anonymous.4open.science/r/ArtArena-EBE4.
Authors: Yuhan Xie, Chen Lyu, Jingrong Huang
Abstract: Split Federated Learning (SFL) enables privacy-preserving collaborative training by partitioning models between clients and a server. However, under non-IID data distributions, SFL often suffers from biased optimization and unstable convergence, while existing solutions largely adapt techniques from conventional federated learning. In this work, we observe that the split architecture of SFL inherently alters how client information is represented and coordinated, opening opportunities for bias compensation beyond parameter-level aggregation. Based on this insight, we propose BESplit, an architecture-aware framework that exploits the intrinsic structure of SFL to mitigate non-IID effects. First, to prevent biased local data from dominating global updates, we introduce Evidential Aggregation (EA) to perform fine-grained reweighting of client contributions based on evidential uncertainty. Second, to further reduce distributional skew, we develop Bias-Compensated Collaboration (BCC) to align split-layer representations by pairing complementary clients. Finally, Dual-Teacher Distillation (DTD) is incorporated to synchronize knowledge between decoupled client and server models, enabling independent local inference. Extensive experiments on five benchmark datasets demonstrate that BESplit consistently outperforms state-of-the-art methods in accuracy, convergence stability, and computational efficiency under diverse non-IID settings.
Authors: Wenxuan Xiao
Abstract: Binary quantization (BQ) compresses high-dimensional embeddings into one or two bits per coordinate, enabling nearest neighbor search at extreme speed. Yet a striking puzzle persists: BQ achieves competitive recall on contrastive embeddings but fails on others -- and two leading systems adopt diametrically opposite strategies (random rotation vs. preserving coordinate axes) without a common theory explaining when each is appropriate. We resolve this puzzle by connecting the Gaussian structure recently established for InfoNCE-trained representations to a complete analytical framework for BQ quality. The key insight is that coordinate heterogeneity -- the non-uniformity of per-coordinate variances -- governs the key aspects of BQ performance. We derive closed-form expressions for ranking fidelity, prove that the magnitude bit carries information proportional to heterogeneity, and show that random rotation destroys precisely the signal that one paradigm exploits while creating the isotropy that the other requires. A two-parameter scaling law predicts fidelity across models and dimensions. Experiments on 13 datasets and 6 embedding families validate all predictions and provide the first principled design guide for binary quantization systems.
Authors: Zehua Cheng, Wei Dai, Jiahao Sun, Thomas Lukasiewicz
Abstract: Large Language Models (LLMs) generate realistic synthetic data but offer no guarantee that their outputs respect the causal mechanisms governing the target domain. We introduce CausalSynth, a framework that decouples causal structure generation from semantic realization, yielding synthetic data that is both causally valid and linguistically rich. The framework operates in three phases. First, a Structural Causal Model (SCM) - a tuple of structural equations defined over a directed acyclic graph (DAG) generates causal skeletons, i.e., variable assignments that satisfy the Global Markov Property of the governing DAG, via ancestral sampling. Second, an LLM acts as a constrained \emph{realizer}, a conditional translator that maps each skeleton to a high-dimensional observation such as a clinical note or a transaction log. Third, an Iterative Consistency Verification module detects structural violations through deterministic extraction and feeds targeted corrections back to the LLM, forming a closed-loop refinement process. We identify the Semantic Backdoor problem the systematic tendency of LLMs to override imposed causal facts with pre-training priors -- and prove that our iterative mechanism reduces the resulting selection bias relative to standard rejection sampling. On three causal benchmarks (ASIA, ALARM, and MIMIC-Struct), CausalSynth preserved conditional independencies with false-positive rates near the nominal $\alpha=0.05$ level and achieved realizability rates above 96% with 70B-parameter LLM backbones. The framework additionally supports principled interventional and counterfactual generation through noise retention and graph mutilation.
Authors: Vedant Waykole, Haroon R. Lone
Abstract: Federated learning on edge devices must cope with non-IID client data and tight memory budgets. Adaptive optimizers like Adam stabilize training under data heterogeneity but require storing full-precision momentum and variance states, often tripling client memory overhead. This limits deployable model sizes and concurrent federated jobs on resource-constrained devices. We empirically observe that momentum and variance in federated Adam exhibit fundamentally different statistical properties: momentum values are symmetric and bounded, while variance spans eight orders of magnitude with log-normal structure. Motivated by this asymmetry, we propose \textbf{Q-LocalAdam}, which applies distribution-aware 8-bit quantization block-wise linear encoding for momentum and log-space encoding for variance while keeping model parameters in full precision. Across CIFAR-10 and CIFAR-100 under varying data heterogeneity ($\alpha \in \{0.1, 0.5, 1.0, \text{IID}\}$), Q-LocalAdam achieves $3.37\times$ optimizer memory reduction with no accuracy loss under moderate heterogeneity and significant improvements under extreme heterogeneity (e.g., +5.74pp on CIFAR-100, $\alpha=0.1$). Multi-seed validation confirms statistical significance ($p<0.01$). In contrast, naive uniform quantization degrades to random performance, demonstrating that distribution-aware design is essential. Q-LocalAdam enables larger models and more concurrent workloads on memory-constrained edge devices without modifying the federated protocol.
Authors: Snigdha Chandan Khilar
Abstract: Current topology aware diffusion models face an architectural mismatch by using Gaussian noise for corruption while recovering structural features through conditional side channels To fix this we introduce PFlow T a generative model that bases its forward process entirely on persistent homology In PFlow T time measures the destruction of H1 topological features like holes rather than Gaussian noise injection This forward process eliminates features based on their persistence The reverse network then directly inverts this structured corruption to predict the clean state in one step Tests on MNIST digits zero one and eight show PFlow T significantly outperforms a baseline model in generating requested Betti numbers and handling out of distribution tasks PFlow T is the first generative architecture using persistent homology for the forward process although we note it is currently limited to low resolution pixel space proxies
Authors: Urban \v{S}irca, Maryam Alimardani, Stefanos Zafeiriou, Konstantinos Barmpas
Abstract: EEG foundation models (EEG-FMs) have been evaluated predominantly on clean, in-distribution accuracy, leaving their robustness, interpretability and representational quality largely unexamined. This study addresses these gaps by benchmarking six EEG-FMs against a baseline deep learning model across eight datasets. Beyond clean accuracy, we conduct three layers of analysis: (i) Robustness: we apply test-time perturbations including additive noise, random and region-based channel dropout and region-specific noise injection. Our analyses show that no single model dominates all failure modes. The most noise-robust model is among the most fragile under channel dropout and much of the dropout fragility disappears when channels are removed rather than zero-padded. (ii) Interpretability: we present the first application of Attention-Aware Layer-Wise Relevance Propagation (AttnLRP) to EEG-FMs and show that models broadly concentrate relevance on task-appropriate brain regions consistent with known neurophysiology. However, attribution maps remain spatially stable under perturbation while predictions degrade, suggesting that the models attend to the correct brain regions but decode corrupted content. (iii) Expressiveness: With block-wise probing we show that late blocks are repurposed during fine-tuning, while early blocks already hold task-related information. Furthermore, we demonstrate that the poor head-only performance previously attributed to low-quality pre-trained representations is largely explained by pooling and that EEG-FMs possess sufficient representational capacity when their token-level embeddings are preserved. Together, these findings provide the first systematic assessment of robustness, interpretability and expressiveness for EEG-FMs and highlight critical considerations for their development.
Authors: Zhitong Xu, Qiwei Yuan, Yinghao Chen, Shandian Zhe, Bin Shen
Abstract: Multi-class event streams arise in numerous real-world applications, where uncovering structured, interpretable inter-event relationships, together with accurate prediction, remains a central challenge. Existing neural point process models are highly expressive but encode event interactions in a black-box manner, preventing explicit discovery of structured dependencies. In this paper, we propose a structured neural marked point process (SNMPP) that achieves high modeling flexibility while enabling explicit event-wise and class-wise relationship discovery from data. Our model constructs a product-form neural influence kernel composed of a signed interaction network over event types and a delay-aware monotonic temporal network. This design enables explicit characterization of inter-class influence topology -- including excitation, inhibition, and neutrality -- while flexibly capturing diverse temporal decay patterns and potential influence delays. For efficient learning, we develop a stratified Monte Carlo estimator for stochastic training. Extensive experiments on synthetic and real-world benchmark datasets validate the ability of our approach to uncover structured relationships and deliver strong predictive performance.
Authors: Minghao Tian, Yunfei Xie, Chen Wei
Abstract: Group Relative Policy Optimization (GRPO) has been a key driver of recent progress in reinforcement learning with verifiable rewards (RLVR) for large language models, but it is typically trained in a low-staleness, near-on-policy regime that incurs substantial system overhead. We ask a simple question: How off-policy can GRPO be? We show that GRPO-style algorithms can tolerate substantially larger rollout staleness than previously assumed, and propose Mu-GRPO, an RL training framework that organizes training into a small number (e.g., four) of large sequential generation-optimization stages. This design induces high rollout staleness while greatly reducing rollout-optimization switching overhead. To stabilize learning under stale data, Mu-GRPO combines relaxed clipping, which preserves useful stale-rollout gradients, with negative-advantage veto, which removes destabilizing post-trigger suffix updates in negative-advantage responses. Across five language models and multiple math reasoning benchmarks, Mu-GRPO matches or exceeds the performance of standard GRPO while achieving around 2x speedup in wall-clock training time, establishing a substantially improved performance-efficiency trade-off for LLM reinforcement learning.
Authors: Tongze Wang, Xiaohui Xie, Wenduo Wang, Chuyi Wang, Yong Cui
Abstract: Network traffic classification (NTC) models often suffer severe performance degradation when deployed in real-world environments due to distribution shifts caused by changing network conditions. Existing robustness-enhancing approaches are commonly coupled to specific model architectures or data settings, fail to generalize to state-of-the-art raw-byte-based NTC models, or incur significant training overhead. In this paper, we propose UniAlign, a novel model-agnostic framework that improves the robustness of deep learning-based NTC models under distribution shifts. UniAlign combines \emph{domain alignment fine-tuning}, which encourages the learning of domain-invariant traffic representations across heterogeneous network conditions, with \emph{stable model ensembling}, which enhances inference robustness by aggregating checkpoints within a flat loss region. The framework can be seamlessly integrated into existing supervised NTC models without requiring specific feature modalities or introducing non-constant additional training costs. We evaluate UniAlign on three public datasets covering diverse distribution shifts, including encryption schemes, data collection devices, and attack behaviors. Experimental results on two representative NTC models demonstrate that, compared with standard training, UniAlign improves average classification accuracy by 2.51\% and average F1 score by 2.71\%, outperforming the strongest baseline by 1.45\% in accuracy and 1.69\% in F1 score, while requiring only 12.4\%--53.9\% of the training time of all NTC-specific baselines.
Authors: Andrea Morandi
Abstract: Many natural and engineered time series -- equity returns, climate anomalies, turbulent velocities, neural recordings, packet-level network traffic -- are approximately self-similar: their horizon-$T$ distribution is tied to the horizon-$1$ distribution by one scaling exponent $H$. Standard deep generative sequence models (transformers, dilated TCNs, the WaveNet family) ignore this. Their receptive fields are wide, but kernel parameters live independently at every dilation level, yielding a multi-scale architecture, not a scale-equivariant one. We make three contributions. First, we give a precise definition of discrete scale equivariance for 1D causal networks and prove that dyadic dilation commutes (up to boundary effects) with any dilated-convolution stack whose kernel weights are shared across levels. Tying the kernel shrinks the convolutional parameter budget by an $L$-fold factor (where $L$ is depth) and hard-wires self-similarity in as an inductive bias. Second, we wrap this Scale-Equivariant WaveNet (SE-WaveNet) backbone in three components that carry the same prior: a one-level Daubechies-4 wavelet input, a Hurst-FiLM block exposing the local scaling exponent, and a spectral-consistency training term targeting the $|f|^{-(2H+1)}$ power-law spectrum. The head is a conditional normalising flow, chosen to preserve equivariance. Third, on 30 years of S&P 500 daily log-returns, SE-WaveNet samples reproduce the empirical scaling-collapse diagnostic on the Allan-Variance top-25 universe (median $\mathcal{C}^\star = 0.020$), while a vanilla WaveNet at matched capacity does not ($\geq 0.06$). NLL, KS-calibration, and tail energy distance tie or beat the baseline, with $L\times$ fewer convolutional parameters.
Authors: Kennon Stewart
Abstract: We formulate machine unlearning for online L-BFGS as a counterfactual state-alignment problem. Given an actual event stream and a deletion-edited counterfactual stream, the target of unlearning is the optimizer state that would have arisen had the deleted samples never been processed. We introduce state-aware metrics that separately measure parameter error, memory-operator error, combined state error, and update-direction error. The memory metric compares the inverse-Hessian actions induced by the o-L-BFGS memory, rather than treating curvature pairs as of finite influence. Under convexity assumptions, we derive a recursive bound on counterfactual state deviation. We then evaluate a state-aware benchmark of deletion interventions, including memory-only and parameter-only corrections, against an counterfactual oracle model. These results show that unlearning for online L-BFGS is not merely a parameter-correction problem: it requires alignment with a realizable counterfactual optimizer state.
Authors: Liang Yan
Abstract: Modern generative modeling has grown into a broad collection of related but often separately implemented paradigms, including denoising diffusion models, score-based stochastic differential equations, flow matching, variational autoencoders, normalizing flows, adversarial models, and energy-based models. For newcomers, this fragmentation makes it difficult to compare training objectives, inference procedures, sampling algorithms, and conditioning mechanisms within a single coherent codebase. We introduce V ENOM, an educational PyTorch toolkit that implements representative generative modeling families under a unified, MNIST-first interface. V ENOM emphasizes breadth, readability, reproducible entry points, and consistent training and sampling APIs rather than large-scale performance engineering. The package currently includes diffusion and score-based models, flow matching and one-step generators, variational autoencoders, normalizing flows, generative adversarial networks, and energy-based models. It provides separate training and sampling scripts, classifier and classifier-free guidance examples, bilingual tutorial notebooks, and a model-family organization that supports teaching, prototyping, and lightweight benchmarking.
Authors: Jonathan Plenk, Sergio Calvo-Ordonez, Alvaro Cartea, Yarin Gal, Mark van der Wilk, Kamil Ciosek
Abstract: In wide neural networks, the Neural Tangent Kernel (NTK) remains approximately constant during training, providing a powerful theoretical tool for studying training dynamics, generalization, and connections to kernel methods. However, this theory is largely restricted to regression losses. It was previously thought that training on a classification loss, or more generally losses involving nonlinear output transformations, breaks this property, leading to divergent logits and a breakdown of the linearization. In this paper, we extend NTK theory to classification by identifying conditions under which wide neural networks remain in the lazy training regime. We show that parameter-space regularization ensures a constant NTK during training for cross-entropy loss, while in the absence of regularization the regime is recovered when targets are non-degenerate, i.e. when all classes have strictly positive probability. Under these conditions, training is well-approximated by the linearized model, yielding an explicit characterization of the solution in terms of the NTK. We further analyze the distribution of trained predictors induced by random initialization and relate this notion of model uncertainty to Bayesian methods.
Authors: Shaddin Dughmi, Mahdi Haghifam, Yusuf Hakan Kalayci
Abstract: Many inference-time language-model pipelines combine a cheap reward signal with an expensive verifier, such as exact answer checking in mathematical reasoning or hidden-test execution in code generation. We formalize this setting using a learning-theoretic lens as generative active search: a cost-sensitive first-positive search problem in which a policy adaptively samples candidates from an unknown distribution, observes cheap scores, and pays for verifier labels until it finds a positive example. For a fixed prompt, the generator and reward model induce two unknown objects: a distribution over reward scores and a score-conditioned success function. When these quantities are known, we characterize the distribution-aware optimal policy using a dynamic programming approach. In the realistic and practical setting where both the score distribution and success function are unknown, we propose ADAP, a shellwise adaptive generate-rank-verify algorithm that progressively increases the number of sampled responses and top-ranked verifications. Under the monotonicity assumption that higher reward scores are no less likely to pass verification, we show that ADAP achieves expected cost within a constant factor of the distribution-aware optimum. We complement this result with learning-theoretic lower bounds, based on a centered star number, showing that structural assumptions on the score--label relationship are necessary. Experiments on mathematical reasoning and competitive programming validate the predicted advantage over both fixed non-adaptive policies and difficulty-adaptive baselines.
Authors: Tianyang Zhou, Somesh Jha, Mihai Christodorescu, Kirill Levchenko, Varun Chandrasekaran
Abstract: Test-time scaling is an important mechanism for improving large language models, especially on tasks with deterministic verifiers. Code translation is a canonical example: the source program constrains valid outputs, while compilers, type check- ers, and behavioral checks provide exact pass/fail feedback. Existing approaches typically apply these verifiers only after generation, which is inefficient because early errors corrupt the autoregressive context and are rarely corrected later. We introduce Decoding Time Verification (DTV), a framework that treats structural boundaries as meta steps for verifier-guided decoding. DTV interleaves generation with verifier calls under a state-machine controller that enforces valid prefixes, using structural-boundary checks and structure-aware rollback to prevent error propagation while reducing wasted tokens. We evaluate DTV on C-to-Rust and JavaScript-to-TypeScript translation. Using Qwen3-4B as the primary generator under matched token budgets, DTV improves pass rates from 72.3% to 82.0% on C-to-Rust and from 33.3% to 46.0% on JavaScript-to-TypeScript relative to matched self-refinement baselines, while using fewer tokens per case; the same trend largely transfers to Gemma-4-E4B. In the evaluated cost-matched grid, DTV achieves a more favorable pass-rate-cost tradeoff than post-hoc verification or sampling-based scaling. These results show that verifier-guided decoding is an effective use of inference-time compute for code translation.
Authors: Meysam Alishahi, Yan Zheng, Junpeng Wang, Chin-Chia Michael Yeh, Jeff M. Phillips
Abstract: Tabular data generation considers a large table with multiple columns -- each column comprised of numerical, categorical, or sometimes ordinal values. The goal is to produce new rows for the table that replicate the distribution of rows from the original data -- without just copying those initial rows. The last 4 years have seen enormous progress on this problem, mostly using computational expensive methods that employ one-hot encoding, VAEs, and diffusion. This paper describes a new approach to the problem of tabular data generation. By employing copula transformations and modeling the distribution as a kernel density estimate we can nearly match the accuracy and leakage-avoidance achievements of the previous methods, but with almost no training time. Our method is very scalable, and can be run on data sets orders of magnitude larger than prior state-of-the-art on a simple laptop. Moreover, because we employ kernel density estimates, we can store the model as a coreset of the original data -- we believe the first for generative modeling -- and as a result, require significantly less space as well. Our code is available here: \url{https://github.com/tabkde/tabkde-main}
Authors: Marcin Kostrzewa, Jerzy Stefanowski, Maciej Zi\k{e}ba
Abstract: Counterfactual explanations (CFEs) provide actionable recourse, but most methods assume a static framework with fixed data and a trained classifier. This assumption breaks in evolving data environments, such as data streams, where online models are repeatedly updated under concept drift. We identify CFE maintenance in this setting as a previously overlooked problem: explanations that are valid when generated may silently become invalid as the model evolves, including robust CFEs, which are not designed for continuous drift. We propose a lightweight, model-agnostic update scheme that repairs existing CFEs using local sampling to estimate validity and plausibility directions while preserving proximity to the original instance. Experiments on synthetic drifting streams show that initially created CFEs rapidly lose validity, whereas maintained CFEs preserve validity and local plausibility at a lower cost than repeated regeneration.
Authors: Xinting Jiang, Junyi Luo, Ruichen Qi, Kauna Lei, Ben Laurie, Gregory Kielian, Mehdi Saligane
Abstract: Sub-billion-parameter Transformer language models are increasingly deployed on edge devices, where the privacy, latency, and operating-cost advantages of on-device inference are constrained by tight memory-bandwidth, energy, and thermal budgets that make architectural choice and accelerator-specific cost central to efficient inference. We present LLMForge, a hardware-aware neural architecture search (NAS) framework whose three composable contributions together make edge-LM architecture search hardware-conditioned, since different substrates impose different hardware cost bottlenecks. Infinite-Head Attention (IHA) decouples the number of query heads, KV groups, and per-head query/key and value dimensions, expanding the feasible per-layer attention configuration space by approximately 400x over grouped-query attention within our search-space ranges. Forge-Former, an encoder-based surrogate for ranking architectural candidates, outperforms MLP and random-forest baselines. Forge-DSE, an NSGA-II-based design-space-exploration engine, pairs Forge-Former with a multi-backend hardware cost model spanning GPUs, systolic accelerators, and ring-dataflow edge accelerators. Across four different hardware substrates, the searches converge to visibly different architectures whose shapes track each substrate's cost bottleneck. On the multi-chip ring substrate, our co-search returns three 300M-scale deployment-aware variants on the Pareto front. Each is re-trained on FineWeb-Edu-10BT under matched recipe against SmolLM2-360M and Qwen-0.5B architecture baselines. The accurate variant has the lowest validation loss 2.798 and competitive benchmark performance with fewer parameters, the energy-optimized variant lowers energy per token by 40%, and the latency-optimized variant lowers TTFT and TPOT by 43%.
Authors: Erik Imgrund, Pia Hanfeld, Klim Kireev, Konrad Rieck
Abstract: Different age-related regulations have been proposed to protect minors from harmful content and interactions online. Automated age estimation is central to enforcing such regulations, and vision-language models (VLMs) achieve state-of-the-art performance on this task. However, we find that the zero-shot nature of VLM-based age estimation produces an unexpected side effect we call the identity shortcut: Instead of estimating age from visual features, VLMs tend to identify the depicted person and infer their age from memorized knowledge. This phenomenon leads to substantially incorrect predictions when non-celebrities are misidentified as celebrities. It also produces deceptively high robustness to noise and adversarial perturbations on celebrity images, which dominate popular benchmarks. To mitigate this, we propose an activation steering method that suppresses the shortcut by intervening on the hidden states of the VLM. This method improves age estimation accuracy for both memorized and unseen identities, reducing mean absolute error by up to 25% across popular benchmarks.
Authors: Egor Shvetsov, Aleksandr Serkov, Shokorov Viacheslav, Redko Dmitry, Vladislav Goloshchapov, Evgeny Burnaev
Abstract: The design of modern neural architectures has converged through incremental empirical choices, yet the mechanisms governing their training dynamics remain only partially understood. We identify and analyze a negative weight drift induced by the interaction between standard losses and positively biased activation functions. We prove that under MSE or cross-entropy loss, the gradient with respect to positive pre-activations is non-negative in expectation at initialization, driving downstream weights toward negative values during early training. The drift is intrinsic to optimization rather than data, and persists across architectures (MLP, ResNet, ViT, GPT-nano, MP-SENe) and asymmetric activation functions (ReLU, GELU, SiLU). Coupled with ReLU, weight drift produces activation sparsity reaching up to 90\% in GPT-nano. We characterize the sparsity-accuracy tradeoff across 79 configurations and identify a sharp accuracy cliff above $\sim$70\% activation sparsity. While ReLU$^2$ achieves a good sparsity--accuracy ratio in GPT-nano, it pathologically amplifies identified activation spikes in intermediate transformer layers. Clipping resolves this while preserving the representational benefits of squaring: clipped ReLU$^2$ outperforms its unclipped version, and GELU$^2$ achieves the lowest validation loss on GPT-nano. Code is available at https://github.com/On-Point-RND/BugOrFeature.
Authors: Michael Arbel, Basile Terver, Jean Ponce
Abstract: Non-contrastive self-supervised learning (SSL) is an effective framework for predictive representation learning, but popular (and in practice effective) methods such as SimSiam, BYOL, I-JEPA or DINO, which rely on a form of self-distillation to train a teacher-student network, remain poorly understood as they typically do not minimize a well-defined objective. We analyze the dynamics of a variant of the Joint Embedding Predictive Architecture (JEPA) using a regularized linear regressor to predict the learned representations of two views of the data from one another, and fully characterize its stability: non-collapsed stable equilibria align with leading nonlinear canonical correlation subspaces, while collapsed equilibria may also be stable attractors. Motivated by this result, we introduce PEIRA, a non-contrastive SSL method with an explicit objective defined through the trace of the optimal linear regressor. We show that its only stable equilibria are nontrivial global minimizers and recover the same canonical correlation subspaces, with regularization selecting the effective dimension. Experiments on ImageNet-1K and CIFAR-10 show PEIRA is competitive with VICReg and LeJEPA baselines, and qualitative empirical results support the theory.
Authors: Karthik Prakhya, Alp Yurtsever
Abstract: We show that the training problem of a deep linear neural network under the squared loss admits an exact convex reformulation in a lifted space over a generalized completely positive cone. The reformulation has the same optimal value as the original nonconvex problem and is linear in the lifted variables, with all nonconvexity encoded in the cone constraint. Its ambient lifted dimension depends only on the input and output dimensions, independent of the network depth and the number of data points, and the bottleneck width enters only through scalar constraints. The construction proceeds by reducing the multilayer parameterization to a bilinear factorization, lifting it to a rank-constrained semidefinite program, expressing the rank constraint via a complementarity condition, and applying a completely positive lifting. While the resulting formulation is computationally intractable in general, it gives an exact conic representation of the nonconvexity induced by linear factorization and connects linear neural network training with copositive programming.
Authors: Yuan Xue, Daniel Kudenko, Megha Khosla
Abstract: Structure-based drug design has been accelerated by pocket-aware 3D generative models, yet most methods primarily fit the training distribution and may fall short of satisfying multiple properties required in real-world therapeutic drug discovery. Recently, increasing attention has focused on structure-based molecule optimization (SBMO), which targets fine-grained control over multiple specified molecular properties. In this paper, we present DEPPA, a novel SBMO approach building upon Denoising Diffusion Policy Optimization for fine-tuning a pre-trained pocket-aware diffusion model via reinforcement learning. DEPPA enables optimization over multiple properties, including binding affinity, drug-likeness, synthesizability and diversity. We formulate the reverse denoising process of the pretrained pocket-aware diffusion model as a multi-step Markov Decision Process, where the desired properties that serve as reward signals are evaluated on the final generated ligand molecules. DEPPA incorporates a coarse denoising scheduler during the RL fine-tuning to achieve efficient and effective molecule optimization. Experimental results on the CrossDocked2020 benchmark demonstrate that DEPPA outperforms baselines in binding affinity (Vina Score -8.5 kcal/mol), drug-likeness and diversity while exhibiting competitive performance in synthesizability. The source code is available at https://github.com/xy9485/DePPA .
Authors: Seth Karten, Cameron Crow, Chi Jin
Abstract: The deployment of Large Language Models (LLMs) as autonomous economic agents introduces systemic risks that extend beyond individual capability failures. As agents transition to directly interacting with marketplaces, their collective behavior can amplify volatility and mask deception at scale. We introduce the Agent Bazaar, a multi-agent simulation framework for evaluating Economic Alignment, the capacity of agentic systems to preserve market stability and integrity. We identify two failure modes: (1) Algorithmic Instability in a B2C market ("The Crash"), where firms amplify price volatility until the market collapses, and (2) Sybil Deception in a C2C market ("The Lemon Market"), where a single deceptive agent controlling multiple coordinated seller identities floods the market with fraudulent listings, eroding trust and consumer welfare. We evaluate frontier and open-weight models across both scenarios and find that models largely fail to self-regulate, with failure severity varying by model rather than by size. We propose economically aligned harnesses, Stabilizing Firms and Skeptical Guardians, that improve outcomes but remain fragile under harder market conditions. To close this gap, we train agents with REINFORCE++ using an adaptive curriculum, producing a 9B model that outperforms all evaluated frontier and open-weight models. We propose the Economic Alignment Score (EAS), a 4-component scalar metric aggregating stability, integrity, welfare, and profitability, enabling direct cross-model comparison. Our results show that economic alignment is orthogonal to general capability and can be directly trained with targeted RL.
Authors: Alon Bebchuk, Nir Shavit
Abstract: The lottery ticket hypothesis posits that dense networks contain sparse subnetworks, ``winning tickets,'' that, when rewound to their initial weights and retrained in isolation, match the performance of the full model. We ask a more mechanistic question: what internal object does a winning ticket preserve? We work in a combinatorial, clause-structured toy setting that admits an interpretable feature-space representation with well-defined combinatorial distances between features. We show that winning tickets in weight space correspond to precursor locations in feature space that are already near, at initialization, to the final feature-channel codes. Dense SGD resolves these locations through structured selection: proximal locations either converge to final codes or are rejected, with rejection concentrated at more crowded neurons, implicating competition under superposition. A winning ticket is thus a family of compatible code locations that jointly balance proximity to final codes with low inter-feature interference. Sparse retraining often re-expresses the same clause/template family on a different row, so the preserved object is family-level rather than microscopic row identity. We validate this account with lightweight probes based on feature-space distance and motion; in our setting, these probes frequently outperform established weight-based ticket discovery methods in both accuracy and exact code recovery. Although these findings are grounded in a toy setting, they suggest that the lottery ticket structure is governed by hidden feature-space geometry rather than weight-space subnetwork identity.
Authors: Fan Zhang, Shijun Chen, Hua Wang
Abstract: Mainstream methods for multivariate time-series forecasting largely follow the Direct-Mapping paradigm. They learn a unified mapping from history to the future in the observation space to fit value-level dependencies. However, real-world systems often undergo distribution shifts and regime changes. In such cases, a unified mapping can exhibit response lag around turning points, causing error accumulation within the switching window and reducing forecasting reliability. To address this issue, we propose L-Drive, a change-aware forecasting framework. L-Drive introduces a Latent-Context, to explicitly characterize high-level dynamics evolving over time, and uses gating to modulate increment representations. This provides more timely change cues and improves adaptation to changing segments. In addition, it incorporates patch-shared relative positional basis functions to strengthen intra-segment structural modeling and reduce overfitting caused by absolute-position memorization. Extensive experiments validate the effectiveness of L-Drive and show a better overall trade-off between forecasting accuracy and computational efficiency.
Authors: Konstantina Bairaktari, Lunjia Hu, Huy L. Nguyen, Jonathan Ullman
Abstract: AI generated predictions increasingly inform decision making in critical tasks, and therefore must be trustworthy. One widely used measure of trustworthiness is calibration, which requires that the predictions match the true frequencies and can be treated like real probabilities of a given outcome. However, defining calibration is subtle, and designing good measures of calibration error has been an active topic of recent research. The first goal is to find calibration measures that are actionable, meaning they can inform decision makers about their utility loss when predictions are treated as true probabilities, which is known as swap regret. The second goal is to find calibration measures that are testable, meaning that calibration error can be measured from a small sample of predictions and outcomes. Although these are very basic requirements, there is no existing calibration measure that fully satisfies both properties, and all existing measures relax actionability by bounding a weaker notion of swap regret, or relax testability by having suboptimal estimation error. We introduce a new calibration measure, Soft-Binned Calibration Decision Loss (SCDL), which we prove is fully actionable without weakening either requirement, and testable with nearly optimal error rate. In addition, SCDL satisfies other desired properties such as continuity and consistency. We also provide a set of experiments confirming that the theoretical advantages of SCDL compared to other measures lead to better performance in practice.
Authors: Zhongzhu Zhou, Donglin Zhuang, Jisen Li, Ziyan Chen, Shuaiwen Leon Song, Ben Athiwaratkun, Xiaoxia Wu
Abstract: INT2 KV-cache quantization is attractive for long-context LLM serving, but it remains difficult to make both accurate and deployable. Simple rotations such as Hadamard transforms reduce outliers, but still degrade at INT2 because they are not aligned with downstream attention. We propose OSCAR, an Ultra-low-bit KV Cache quantization method that estimates attention-aware covariance structures offline and uses them to derive fixed rotations and clipping thresholds for quantization. In this way, it aligns KV quantization with the covariance structures that attention actually consumes. More importantly, we not only provide theoretical justification but also develop a fully deployable OSCAR system with a custom INT2 attention kernel that remains compatible with paged KV-cache serving and fused kernel pipelines, enabling seamless integration into modern LLM serving frameworks such as SGLang and vLLM. We evaluate our methods on recent reasoning models with reasoning traces of up to 32k tokens across 5 tasks. On Qwen3-4B-Thinking-2507 and Qwen3-8B, OSCAR reduces the BF16 accuracy gap to 3.78 and 1.42 points, respectively, while naive rotation INT2 collapses to nearly zero. We further scale OSCAR to Qwen3-32B and GLM-4.7 (358B params), where it remains effectively on par with BF16. On long context - RULER-NIAH up to 128K, OSCAR remains robust on both Qwen3 models, while naive rotation INT2 collapses. System-wise, OSCAR reduces KV-cache memory by approximately 8x, improves throughput by up to 7x at large batch sizes under the same memory budget, and accelerates batch-size-1 decoding by up to 3x over BF16 due to reduced memory bandwidth overhead.
Authors: Nitish Nagesh, Mahdi Bagheri, Arshia Harish Puthran, Pengbao Zhou, Muhjaazee Love, Aadi Sharma, Ian Harris, Amir M. Rahmani
Abstract: Synthetic data is widely used in healthcare to create datasets that are similar to original data but without the privacy concerns. Generating and evaluating synthetic data across privacy, utility and fairness is crucial for facilitating high quality data availability for downstream prediction tasks and clinical decision making. We present Memisis, a tool that orchestrates and evaluates synthetic data by leveraging existing synthetic data tools, the power of large language models and state-of-the-art evaluation metrics. Our tool creates a unified workflow for data generation, validation and evaluation. Users have control over the training size, training epochs and the number of synthetic rows to sample. Instead of knobs to tune synthetic data, the interactive agent allows users to specify their synthetic data generation goals and the tool will orchestrate the workflow by leveraging existing tools while performing the requisite evaluation. For the demo, we use an open source schizophrenia dataset with protected attributes related to race and gender, three different synthesizers and a local language model to orchestrate the workflow. We observe that CTGAN, TVAE and GaussianCopula have comparable performance across fairness and utility metrics. The workflow allows users flexibility and control over the data generation and evaluation process.
Authors: Yuanyun Zhang, Shi Li
Abstract: Recent healthcare foundation models have achieved strong predictive performance through large scale self supervised learning, yet their latent representations frequently entangle physiologic severity, intervention intensity, observational structure, and institutional workflow into shared embedding directions. While effective for downstream prediction, such representations remain semantically opaque and unstable under contextual shift. We introduce AURORA, Adaptive Uncertainty aware Representations through Orthogonalized Relational Alignment, a new framework for healthcare representation learning based on contextual latent geometry. Rather than optimizing a single unified embedding manifold, AURORA decomposes representations into orthogonal semantic subspaces corresponding to distinct contextual factors and learns relational consistency objectives within each subspace. This induces latent spaces that are both semantically disentangled and geometrically interpretable. Across multiple clinical prediction and retrieval tasks, AURORA consistently outperforms reconstruction, contrastive, and self distillation baselines while substantially improving contextual disentanglement, neighborhood purity, and robustness under institutional distribution shift. Our results suggest that latent geometry itself constitutes an important axis of healthcare foundation model design and that explicitly structuring representation space according to contextual semantics provides a complementary direction beyond conventional predictive compression objectives.
Authors: Minhao Wang, Bowen Wu, Wei Zhang
Abstract: Generative recommendation reformulates recommendation as next-token prediction over discrete semantic identifiers (IDs). A fundamental yet unexplored design choice is that existing methods employ fixed-length tokenization for all items, implicitly assuming uniform encoding capacity regardless of item characteristics. Through systematic experiments across four datasets, we discover the Popularity-Length Paradox: popular items achieve optimal performance with short IDs, while tail items require substantially longer codes to capture discriminative semantics. This reveals a critical mismatch where popular items benefit from abundant collaborative signals and require minimal semantic detail, whereas tail items must rely on fine-grained content features due to sparse interaction data. To address this, we propose VarLenRec, a framework for learning variable-length tokenization. We develop Popularity-Weighted Information Budget Allocation (PIBA), an information-theoretic framework proving that optimal ID length should scale as a negative power of popularity. Directly implementing variable-length allocation faces two technical challenges: standard Euclidean residual quantization lacks geometric capacity to support diverse code lengths without distortion, and discrete length decisions are non-differentiable. We address these through Hyperbolic Residual Quantization, which leverages the exponential volume growth of the Poincar\'e ball to naturally stratify encoding capacity, and a Soft Length Controller, which enables differentiable length prediction via continuous layer retention probabilities regularized by PIBA-derived priors. Extensive experiments demonstrate that VarLenRec achieves significant improvements over state-of-the-art methods in recommendation accuracy and training/inference efficiency, revealing the importance of adaptive encoding capacity in generative recommendation.
Authors: Athanasios Glentis, Dawei Li, Chung-Yiu Yau, Mingyi Hong
Abstract: It is widely believed that stochastic gradient descent (SGD) performs significantly worse than adaptive optimizers such as Adam in pre-training Large Language Models (LLMs). Yet the underlying reason for this gap remains unclear. In this work, we attribute a large part of the discrepancy to SGD's inability to sustain learning rates comparable to Adam's much larger effective learning rates. Through empirical and theoretical analysis of LLM pre-training dynamics, we identify that training is characterized by small gradient norms and large weight-to-gradient ratios, an effect that becomes more pronounced with larger batch sizes typical in pre-training, necessitating such large effective learning rates. However, we find that output-layer gradient magnitudes become highly uneven across token classes, and that large gradient spikes frequently occur during training. Together, these effects severely restrict the admissible learning rate of SGD. Guided by this understanding, we show that simple clipping mechanisms that stabilize SGD at large learning rates enable it to recover most of Adam's performance. In our large-scale experiments, the validation loss gap between large-learning-rate SGD and Adam shrinks from more than 50% to only about 3.5% when pre-training a 1B-parameter LLaMA model with a 1M-token batch size.
Authors: Zhi Li, Songkun Yan, Jie Cao, Mofan Zhang, Anjiang Wei, Jinwoong Yoo, Yang Hong
Abstract: Calibrating distributed hydrologic models is a critical bottleneck across operational water resources management - streamflow prediction, reservoir operation, drought monitoring, infrastructure design, and flood forecasting all depend on it. Each basin demands an expert to translate hydrograph signatures into adjustments of a high-dimensional parameter vector, and the resulting workflow does not transfer between watersheds. We ask: can frontier large language model (LLM) agents replace the human hydrologic modeler, and if not, what would it take? We benchmark nine frontier LLM agents - Claude Opus 4.6/4.7, Sonnet 4.6, GPT-5/5.4/5.4-pro, and Gemini 2.5-pro/3.1-pro/3-flash - on the operational CREST distributed hydrologic model used by the U.S. National Weather Service for flash-flood forecasting. Best-of-twenty-rounds Nash-Sutcliffe Efficiency (NSE) across four held-out gauges spanning 329-40,792 km2 ranges from -0.16 (GPT-5.4) to 0.75 (Sonnet 4.6); the ceiling reproduces across all three vendors and capability tiers, with the strongest models concentrating in the 0.65-0.75 band, and no model reaches the human-expert reference except Opus-4.7 on one gauge. We argue this gap is not a parameter-count problem but a domain-grounding problem. We then propose HYDROAGENT, fine-tuning open-weight Qwen3-4B with supervised fine-tuning on 2,576 expert calibration trajectories and Group-Relative Policy Optimization using NSE as a verifiable reward from online CREST simulations - reinforcement learning with simulation feedback (RLSF). For Earth system science, a small domain-tuned policy with simulator-in-the-loop RL is a more compute-efficient and physically faithful path than scaling generic frontier models, and the multi-modal richness of Earth data - remote sensing, in-situ time series, and forecaster narrative - makes domain agents a leveraged direction for AI in physical science.
Authors: Ningkang Peng, Jingyang Mao, Runhan Zhou, Peirong Ma, Yanhui Gu
Abstract: Learning with noisy labels (LNL) is typically benchmarked by closed-set classification accuracy, yet deployment often requires classifiers to reject out-of-distribution (OOD) inputs. We present a learner-agnostic ACC-OOD benchmark that freezes LNL checkpoints and evaluates them with standardized near-/far-OOD routing and post-hoc scores across synthetic and real label noise. The benchmark reveals a recurring failure mode: high closed-set accuracy does not ensure OOD reliability, because low-confidence, misclassified in-distribution samples can overlap the score and feature regions occupied by OOD inputs under noisy training. We term this pathology uncertainty collapse. This structural overlap can make high-accuracy LNL methods lose separability at the ID-error/OOD interface under standard OOD scores. As an intervention, we study Virtual Margin Regularization (VMR), a lightweight repair probe demonstrated mainly with PSSCL that synthesizes boundary virtual outliers on trusted ID batches and widens the energy margin. VMR partially reduces the collapse-induced far-OOD failure without replacing the host objective or sacrificing closed-set accuracy in the tested settings. These results support LNL benchmarks that co-report closed-set generalization, open-world reliability, and structural overlap diagnostics.
Authors: Chenxi Wang, Xiaorong Wang, Peiyang Li, Yi Wang
Abstract: Generative models have demonstrated remarkable potential in time series analysis tasks, like synthesis, forecasting, imputation, etc. However, offering limited coverage for generative models, existing time series libraries are mainly engineered for discriminative models, with standardized workflows for specific tasks, such as optimizing Mean Squared Errors for time series forecasting. This rigid structure is fundamentally incompatible with the distinct and often complex paradigms of generative models (e.g., adversarial training, diffusion processes), which learn the underlying data distribution rather than a direct input-output mapping. To this end, we proposed GenTS, a comprehensive and extensible benchmark library designed for systematic assessment on generative time series models. GenTS features a unified data preprocessing pipeline, a collection of versatile models, and panoramic evaluation metrics. Its modular design also enables the researchers to flexibly customize beyond our built-in datasets and models. Based on GenTS, we conducted benchmarking experiments under diverse tasks, accordingly offering suggestions for model selection and identifying potential directions for future research. Our codes are open-source at https://github.com/WillWang1113/GenTS. The official tutorials and document are available at https://willwang1113.github.io/GenTS/.
URLs: https://github.com/WillWang1113/GenTS., https://willwang1113.github.io/GenTS/.
Authors: Xinlin Zhuang, Panyi Ouyang, Yichen Li, Jiangming Shi, Yizhang Chen, Shuman Liu, Ying Qian, Weiyang Liu, Haibo Zhang, Imran Razzak
Abstract: Muon has recently emerged as a competitive alternative to AdamW for large-scale pre-training, with orthogonalization via Newton-Schulz (NS) iterations as its core operation. Existing Muon variants apply a uniform NS schedule to all parameter matrices, overlooking possible differences in orthogonalization difficulty and its impact on performance. Through a systematic empirical study, we show that this per-matrix heterogeneity is pervasive and largely determined by matrix geometry, which evolves dynamically across operator types, training stages, and network depths. As a result, uniform NS schedules can lead to uneven orthogonalization quality across the model. Motivated by these findings, we propose Adaptive Muon Orthogonalization (AMO), an observe-then-commit method that measures weight geometry by operator type early in training and then uses these signals to allocate the NS budget for the remainder of training. AMO delivers consistent improvements over uniform-schedule Muon across standard, prolonged, and continual pre-training, surpassing the strongest baseline by +0.76 on Llama3.1-1.4B and +0.51 on Qwen3-1.7B in average downstream performance of 12 evaluation tasks.
Authors: Chenguang Wang, Tianshu Yu
Abstract: We develop a unified theoretical framework for data-free one-step sampling from unnormalized target distributions based on Wasserstein gradient flows. For a broad class of standard f-divergence objectives, we show that the induced velocity field admits the universal form $\mathbf{V}(x)=w(r(x))\,\beta(x)$, where $\beta(x)=\nabla \log (p(x)/q(x))$ is shared across objectives and $w$ is determined solely by the choice of divergence. This decomposition shows that standard f-divergence drifts share the same asymptotic target distribution $p$ and differ primarily in how they redistribute transient repair effort across under-covered regions. To formalize this distinction, we derive a one-step regional-response theory for a soft under-coverage functional and obtain a compression--elasticity identity that links divergence choice to the geometry of mass transport into under-covered regions. We further extend the framework beyond the f-divergence family to the Log-Variance (LV) divergence, analyze how the reference distribution alters the resulting drift structure, and motivate a practical LV-inspired surrogate for data-free training. Based on this theory, we instantiate the framework with a KDE-based implementation and describe a complementary normalizing-flow route, enabling one-step inference after training. Experiments on multimodal Gaussian-mixture benchmarks are consistent with the theoretical predictions and demonstrate effective one-step sampling on these targets.
Authors: Jucheng Shen, Barbara Su, Anastasios Kyrillidis
Abstract: Can a shared-weight recurrent Transformer develop distinct internal roles without being partitioned into separate modules? We study this in Asymmetric Input Recurrence (AIR), a minimal two-state reasoning architecture in which the same Transformer model is reused for both updates (per literature, L and H) and the only built-in difference in the update rule is that the encoded input is injected during L-updates but not H-updates. Across Sudoku-Extreme and Maze, decoded rollouts reveal a consistent split: $\zH$ behaves like a fully committed proposal state, whereas $\zL$ retains local uncertainty and shifting intermediate structure. Freeze experiments show that this split is, in practice, related to the model's state dynamics: in Sudoku, freezing $\zH$ reduces $\zL$'s content changes whereas freezing $\zL$ increases $\zH$'s, while in Maze, freezing either state increases content changes in the other state. Ablations show that to induce specialization, the shared model needs to be able to tell the two update types apart, either from input injection asymmetry or from a separate level token. Mechanistically, attention analysis shows that L-updates are consistently more local than H-updates in both Sudoku and Maze. Together, these results show that, in a two-state recurrent setting, a clear state-identity signal can induce stable, related functional roles inside a shared-parameter recurrent Transformer. Code is available at \href{https://github.com/juchengshen/air}{\textcolor{blue}{https://github.com/juchengshen/air}}.
URLs: https://github.com/juchengshen/air, https://github.com/juchengshen/air
Authors: Subash Timilsina, Hoang-Son Nguyen, Sagar Shrestha, Xiao Fu
Abstract: Generative analysis often models multi-domain observations as nonlinear mixtures of domain-invariant content variables and domain-specific style variables. Identifying both factors from unpaired domains enables tasks such as domain transfer and counterfactual data generation. Prior work establishes identifiability under (block-wise) statistical independence between content and style, or via sparse Jacobian assumptions on the nonlinear mixing function, but such conditions can be restrictive in practice. In this work, we introduce content-style differential independence (CSDI), an alternative structural condition requiring that infinitesimal variations in content and style induce orthogonal directions on the data manifold, thereby enabling identifiability even when content and style are dependent and the Jacobian is dense. We operationalize this condition through a blockwise orthogonality constraint on the Jacobian subspaces associated with content and style. To support high-dimensional generative models, we design a stochastic regularizer based on numerical Jacobian approximation, enabling scalable training in settings such as high-resolution image generation. Experiments across multiple datasets corroborate the identifiability analysis and demonstrate practical benefits on counterfactual generation and domain translation.
Authors: Mahdi Naser-Moghadasi
Abstract: Query optimization in big data analytics remains computationally expensive, particularly for resource-constrained environments where traditional optimizers fail to satisfy memory and latency constraints. We present an agentic query planning system that combines a rule-based teacher planner, UCB1 bandit exploration, cost-aware prediction, and knowledge distillation to a lightweight student planner. Our teacher planner generates SQL plans using six key optimization strategies, while UCB1 bandit search efficiently explores the plan space under explicit resource constraints. A Random Forest cost model predicts query latency from plan features, enabling cost-aware decisions. A distilled student planner (Logistic Regression or Gradient Boosting) learns to mimic teacher-bandit decisions for fast inference. Evaluation on NYC Taxi and IMDB datasets demonstrates 23% latency reduction compared to default planners while maintaining 94% constraint satisfaction. The student planner achieves 89% accuracy in replicating optimal plans with 15x faster inference time. Our single-file implementation enables reproducible big-data analytics on resource-limited machines and is publicly available at https://github.com/mahdinaser/agentic-kd-planner.
Authors: Ba Hoang Anh Nguyen, Viet Cuong Ta
Abstract: Training a deep neural network with noisy labels could reduce data annotation cost but may introduce noise into the learned model. In meta label correction approaches, an additional meta model besides the main model is trained with a small, clean dataset to correct the large, noisy dataset. However, the update of the meta model requires the computation of hypergradients at the inner step of the main model which signif- icantly increases the computational cost. To improve the training efficiency, we first introduce the dynamic barrier gradient descent into standard meta label correction. While this naive extenstion is able to speed up the training process to approximately first- order complexity, it lacks mechanisms to prevent the leakage of noisy signals to the main model and to stabilize the learning of the meta model. Based on this observation, we propose the EBOMLC method, which is designed with three key improvements including one-step inner loop update, mixture upper loss and alignment- aware dynamic barrier. Empirical results on CIFAR-10 and CIFAR-100 demonstrate that EBOMLC consistently outperforms other baselines, especially under high noise rate settings, while reducing training time of the meta label correction approach.
Authors: Anh B. H. Nguyen, Ba Tho Phan, Viet Cuong Ta
Abstract: Knowledge distillation transfers knowledge from a high capacity teacher to a compact student using a mixture of hard and soft losses. On imbalanced data, a fixed weighting between hard and soft losses becomes brittle the learning process. Recent studies try to reweight these components in long-tailed settings. However, most of these methods do not adapt weights at the sample-wise level and do not take into account the students behavior during training. To address this, we propose BiKD -- a bilevel framework that dynamically balances hard and soft losses for each sample. We employ a weight generation network that produces adaptive per-sample weights, guided by a small balanced validation set. The student is now trained with an unconstrained combination of weighted hard and soft losses, allowing the student to relax both terms. We further propose a multi-step SGD strategy to optimize the weight model more accurately and efficiently. Experiments on long-tailed CIFAR-10/100 show that our approach surpasses recent balanced distillation methods across imbalance factors.
Authors: Ligong Han, Kai Xu, Hao Wang, Akash Srivastava
Abstract: Autoregressive language models execute Transformer layers sequentially, creating a latency bottleneck that is not removed by conventional tensor or pipeline parallelism. We study whether this layerwise dependency can be relaxed by treating the hidden-state trace across layers as the solution of a nonlinear residual equation and solving it with parallel Newton-style updates. While this view is principled, exact Newton corrections require expensive Jacobian-vector products and naive fixed-point iterations are unstable on trained Transformers. We introduce Structured Newton Layer Parallelism (SNLP), a training and inference framework that replaces exact layer Jacobians with cheap architecture-induced surrogate dynamics. In residual Transformers, this yields Identity Newton (IDN), where the correction reduces to a prefix-sum-like update; in mHC-style architectures, HC Newton (HCN) uses the model's residual mixing matrix. We further introduce SNLP-aware regularization, which trains models to make one or a few structured Newton iterations accurately approximate the sequential forward. Experiments on nanochat-scale Transformers show that SNLP regularization improves layer-parallel compatibility and can also improve standard sequential perplexity, reducing baseline PPL by 4.7%-23.4%. At inference time, SNLP combined with layer fusion and chunkwise decomposition achieves practical wall-clock speedups: on a 0.5B Nanochat model, it reaches 2.3x speedup while still improving PPL by 6.1%. These results suggest that layer-parallel inference is not merely a numerical approximation to sequential execution, but can act as a useful solver-induced inference bias. We also characterize limitations: off-the-shelf pretrained models are less amenable to this procedure, and exact convergence recovers the sequential computation rather than providing monotonic inference-time scaling.
Authors: Peter Pao-Huang, Charilaos I. Kanatsoulis, Michael Bereket, Jure Leskovec
Abstract: Conventional approaches to learning on graphs involve message passing along existing (i.e., positive) edges to update node features. However, these approaches often disregard the potentially valuable information contained in the absence (i.e., negative) of edges. Here, we theoretically analyze the value of negative edges in graph representations and prove that in settings of low label rates, high homophily, and high edge density, access to negative edges provides significant information gain over using only positive edges. Motivated by this insight, we introduce Contrastive Message Passing (CMP), a general message passing architecture that enable graph neural network layers to reason over positive and negative edges. By imposing soft positive semidefinite constraints on the learnable weights, our approach differentially applies similarity-preserving transformations to positively connected nodes and dissimilarity-inducing transformations to negatively connected nodes. Over simulated and real datasets in varying data regimes, CMP consistently outperforms baselines in low-label settings when negative edges are informative.
Authors: Xianwei Chen, Shimin Zhang, Jibin Wu
Abstract: Scaling on-policy distillation (OPD) for large language models (LLMs) confronts a fundamental tension: asynchronous execution is necessary for system efficiency, but structurally deviates from the ideal on-policy objective. To address this challenge, we theoretically decompose the objective discrepancy into rollout drift and supervision drift, capturing staleness in student rollout and teacher context, respectively. Building on this, we introduce a sample-level freshness score that quantifies the reliability of a buffered sample with respect to the on-policy objective. Guided by this signal, we further propose f-OPD, a novel framework that adaptively regulates stale-sample influence and constrains policy drift accumulated under asynchronous training. Across reasoning, tool-use, and coding-agent tasks of increasing interaction horizon, f-OPD consistently achieves task performance comparable to synchronous optimization while largely retaining the throughput advantages of asynchronous execution. Our results establish the first recipe for achieving a performance-efficiency trade-off in OPD, paving the way for long-horizon agentic post-training at scale.
Authors: Masahiro Suzuki, Bohui Xia, Hiroto Yamamoto, Masanori Miyahara
Abstract: Small-scale data is a critical problem in time-series forecasting tasks. Data augmentation is an effective strategy for this task, but it has a limitation in generating meaningful data. To address this limitation, we propose DAD4TS, a diffusion-model-based data augmentation method with reinforcement learning, designed for time-series forecasting with small-scale data. In DAD4TS, a data generator is simultaneously trained with a time-series model and controlled by a reinforcement learning model to efficiently generate samples that improve the forecast accuracy of the time-series model. To support small-scale data, we use mathematical methods instead of conventional VAE methods to train the diffusion model by projecting the time-series data into the geometric space. We validated the effectiveness of DAD4TS with seven comparative methods through qualitative and quantitative experiments on six real-world datasets and eight time-series models. As a result, DAD4TS was validated on five datasets.
Authors: Woongyeng Yeo, Yumin Choi, Taekyung Ki, Sung Ju Hwang
Abstract: Training long-horizon LLM agents with reinforcement learning is challenging because sparse outcome rewards reveal whether a task succeeds, but not which intermediate actions caused the outcome or how they should be corrected. Recent methods alleviate this issue by generating rewards or textual hints from turn-level action-output signals, or by using feedback-conditioned self-distillation. However, generating feedback at every turn is inefficient when many intermediate turns are already successful or neutral, and applying feedback at a fixed or misaligned turn often fails to supervise the actions that contributed to the failure. To bridge this gap, we propose HINT-SD, a targeted self-distillation framework that uses full-trajectory hindsight to select failure-relevant actions and applies feedback-conditioned distillation only on targeted action spans. Experiments on BFCL v3 and AppWorld show that our method improves over the dense per-turn feedback baseline by up to 18.80 percent while achieving 2.26$\times$ lower time per training step, suggesting that selecting where to distill is a key factor for both effective and efficient long-horizon agent training.
Authors: Haozheng Luo, Haoran Dai, Shaoyang Zhang, Xi Chen, Eric Hanchen Jiang, Yijiang Li, Jingyuan Huang, Chenghao Qiu, Chenwei Xu, Zhenyu Pan, Haotian Zhang, Binghui Wang, Yan Chen
Abstract: We propose OASIS, an outlier- and sink-aware technique built on inter-layer null signaling. As AttnResidual architectures introduce an additional depth-wise normalization channel, they improve inter-layer routing flexibility but also exacerbate attention sinks, activation outliers, and the resulting degradation in inference stability and quantization robustness. OASIS addresses this issue by introducing a Softmax1-based null space and coupling token-level null evidence to depth routing through an inter-layer null signal, thereby reducing sink-dominated routing and improving structural robustness. Theoretically, we show that the dual-normalization design of AttnResidual intensifies sink formation and quantization brittleness. Experimentally, we compare OASIS against five baselines on three real-world datasets and observe consistent improvements in both attention sink and post-quantization performance. Notably, OASIS achieves an average reduction of 9.26% in maximum infinity norm and 2.60% in average kurtosis across the evaluated settings, while lowering perplexity by 75.85% under W8A8 and improving GSM8K Pass@1 by 12.42% under W4A4.
Authors: Muyoung Son, Yi Chen, Seungjae Yoo, Soongyu Choi, Joo-Young Kim
Abstract: The Mixture-of-Experts (MoE) architecture improves computational efficiency via sparse expert activation, but throughput-oriented inference faces substantial GPU memory pressure due to a significant parameter size and intermediate data. Prior works attempt to mitigate this using expert offloading with micro-batching or by offloading computation to the CPU. However, the fragmented workload resulting from micro-batching degrades operational intensity, causing expert execution to become memory-bound. Meanwhile, CPU offloading is constrained by slow PCIe transfers and its limited applicability to attention computation in the decode stage. Consequently, these inefficiencies prevent effective system utilization, severely restricting the end-to-end throughput of MoE inference. To address these challenges, this paper proposes CoX-MoE, an Advanced Matrix Extensions (AMX)-enabled CPU-GPU collaborative system that comprehensively optimizes MoE inference by combining coalesced expert execution with strategic workload orchestration for higher throughput. CoX-MoE introduces (i) a coalescing-aware orchestration policy to jointly optimize resource allocation by adopting ordinary batch, instead of micro-batch, for expert computation and selective attention offloading, and (ii) a static expert-aware stratification scheme that pre-assigns frequently activated experts to the GPU, mitigating PCIe transfer overhead and balancing workload for the CPU and GPU during inference. Compared to state-of-the-art frameworks, CoX-MoE delivers significant gains, achieving up to 7.1x and 2.4x higher throughput than FlexGen and MoE-Lightning, respectively.
Authors: Yu-Hsueh Fang
Abstract: Gaussian process (GP) inference in Python is dominated by libraries such as GPyTorch and GPflow, which are built on deep-learning frameworks and inherit their dispatch overhead and dependency footprint. We present LightGP, a dependency-free C++17 library for GP regression with Python bindings, supporting Apple Metal and NVIDIA CUDA backends alongside tuned CPU paths via Apple Accelerate and OpenBLAS. LightGP provides four inference paths -- exact Cholesky, matrix-free conjugate gradients, sparse variational free energy, and structured kernel interpolation with FFT -- covering problems from $N{=}100$ to $N{=}500{,}000$. On an Apple M4, LightGP CPU is 2.6--8.7$\times$ faster than GPyTorch CPU for exact GP and ${\sim}1.5\times$ faster for sparse GP at every scale tested. On an NVIDIA RTX~3060, LightGP CUDA is 2.3--6.7$\times$ faster than GPyTorch CUDA for exact GP up to $N{=}2{,}048$, with GPyTorch closing the gap at $N{=}4{,}096$. A fused matrix-free kernel-vector product on Metal achieves 32$\times$ over the explicit path at $N{=}20{,}000$ with $O(N)$ memory, and an FFT-accelerated SKI matvec via Accelerate vDSP runs in sub-millisecond time at $N{=}200{,}000$. LightGP compiles as a single static library with zero external dependencies and is installable via \texttt{pip install lightgp
Authors: Zhe Zhang, Yuanning Feng, Yuxuan Song, Keyue Qiu, Hao Zhou, Wei-Ying Ma
Abstract: AlphaFold3 introduces a diffusion-based architecture that elevates protein structure prediction to all-atom resolution with improved accuracy. This state-of-the-art performance has established AlphaFold3 as a foundation model for diverse generation and design tasks. However, its iterative design substantially increases inference time, limiting practical deployment in downstream settings such as virtual screening and protein design. We propose DCFold, a single-step generative model that attains AlphaFold3-level accuracy. Our Dual Consistency training framework, which incorporates a novel Temporal Geodesic Matching (TGM) scheduler, enables DCFold to achieve a 15x acceleration in inference while maintaining predictive fidelity. We validate its effectiveness across both structure prediction and binder design benchmarks.
Authors: Sagar Shrestha, Subash Timilsina, Hoang-Son Nguyen, Xiao Fu
Abstract: Domain transfer (DT) maps source to target distributions and supports tasks such as unsupervised image-to-image translation, single-cell analysis, and cross-platform medical imaging. However, DT is fundamentally ill-posed: push-forward mappings are generally non-identifiable, as measure-preserving automorphisms (MPAs) preserve marginals while altering cross-domain correspondences, leading to content-misaligned translation. Recent work shows that MPAs can be eliminated by jointly transferring multiple corresponding source/target conditional distributions, but supervision signals labeling such conditionals are not always available in practice. We develop an alternative route to DT identifiability. Under a structural sparsity condition on the Jacobian support pattern, we show that distribution matching together with a single paired anchor sample suffices to identify the ground-truth transfer -- requiring substantially less supervision than prior approaches. To enable practical high-dimensional learning, we further propose an efficient Jacobian sparsity regularizer based on randomized masked finite differences, yielding a scalable surrogate without explicit Jacobian evaluation. Empirical results on synthetic and real-world DT tasks validate the theory.
Authors: Penghao Yu, Haotian Jiang, Zeyu Bao, Qianxiao Li
Abstract: While the approximation properties of single-layer Transformer architectures have been studied in recent works, a rigorous theoretical understanding of the multi-layer setting remains limited. In this work, we establish that multi-layer Transformers possess fundamentally different approximation capabilities from single-layer ones: for certain retrieval tasks, any single-layer Transformer requires least $\Omega (\varepsilon^{-k})$ parameters to achieve precision $\varepsilon$, where $k$ grows linearly with sequence length $T$, whereas a two-layer Transformer with a single head per layer achieves the same approximation precision with at most $O (\varepsilon^{-1})$ parameters. To understand this separation, we identify two structural mechanisms underlying multi-layer approximation. Specifically, softmax attention can only efficiently retrieve the token attaining the maximum attention score, incurring exponential-in-length parameter cost for $k$-th largest retrieval with $k \geq 2$. Moreover, the parameter cost of decoding coupled information scales with the size of the retrieved token set. Motivated by these findings, we propose InfoFlow, a framework for multi-layer Transformers. The framework tracks an information set of accessible input positions at each token and layer, assigning an explicit approximation rate to each mode of information propagation. This abstraction recovers known approximation bounds, remains consistent with experimental observations on trained networks, and yields concrete predictions in settings where direct theoretical analysis is currently intractable. Our results provide a principled framework for reasoning about the approximation efficiency of multi-layer Transformers.
Authors: Joan Serr\`a, Dipam Goswami, Fabio Morreale, Wei-Hsiang Liao, Yuki Mitsufuji
Abstract: Training data attribution (TDA) should enable generative model interpretability and foster a variety of related downstream tasks. Nonetheless, current TDA approaches lack reliability and robustness, preventing their adoption in real-world setups. In this paper, we take a decisive step towards more reliable and robust TDA for diffusion models. We propose to perform TDA with mirrored unlearning and noise-consistent skew (MUCS). The idea is to fine-tune a second model with bounded mirrored gradient ascent, and to measure the normalized skew of this model with respect to the original one using consistent noise samples. We show that, while being conceptually simple and generic, MUCS systematically outperforms existing methods on three different datasets by a large margin. We additionally study the effect that core design choices have on final performance, and analyze novel aspects regarding the overlap of influential instances across generated items and the potential of ensembling TDA approaches. We believe that our findings may have broader implications for more general unlearning setups, as well as for tasks requiring the comparison of diffusion losses.
Authors: Zhanyue Qin, Jia Feng, Yibo Lyu, Yun Peng, Dianbo Sui, Cuiyun Gao, Qing Liao
Abstract: Code reasoning refers to the task of predicting the output of a program given its source code and specific inputs. It can measure the reasoning capability of large language models (LLMs) and also benefit downstream tasks such as code generation and mathematical reasoning. Existing work has verified the effectiveness of reinforcement learning on the task. However, these methods design rewards solely based on final outputs or coarse-grained signals, and neglect the inherent consistency of the stepwise reasoning process in the task. Therefore, these methods often result in sparse reward or reward hacking, which limits the full play of enhanced learning capabilities. To alleviate these issues, we propose CodeThinker, a consistency-driven reinforcement learning framework for code reasoning. Specifically, CodeThinker has three key components: (1) a stepwise reasoning-aware model training module, which utilizes a consistency tracing paradigm as a template to synthesize training data that captures the stepwise reasoning process; (2) a dynamic beam sampling strategy, which aims to improve the quality of sampled outputs under a fixed sampling budget; and (3) a consistency reward mechanism that can effectively alleviate reward hacking. Experiments on three popular benchmarks show that CodeThinker achieves state-of-the-art performance across multiple LLMs. For instance, it outperforms the strongest baseline by 4.3% in accuracy when deployed on Qwen2.5-Coder-7B-Instruct. We also validate the effectiveness of CodeThinker on downstream tasks. Results show that, without additional training, CodeThinker obtains average accuracy gains of 5.33 and 3.11 percentage points on mathematical reasoning and code reasoning tasks covering 17 programming languages, respectively.
Authors: Takashi Furuya, David Mis, Ivan Dokmani\'c, Maarten V. de Hoop, Matti Lassas
Abstract: We study the approximation of nonlinear operators between function spaces by transformers. Our approach is to lift functions to measures supported on their graphs and leverage a recently introduced measure-theoretic view of transformers. A function $h$ is represented by its graph measure $\gamma_h$, with finite tokens $\{(x_j,h(x_j))\}_{j=1}^N$ being its empirical approximations. We show that this framework elegantly models discretization refinement via convergence of measures and provides a natural setting for operator learning. Within this framework, we introduce function graph transformers, a graph-preserving subclass of measure-theoretic transformers that maps graph measures to graph measures, which is to say that outputs remain single-valued functions. Crucially, this additional structure does not reduce generality: we prove that the resulting graph-preserving maps can be approximated by finite compositions of standard softmax self-attention layers and pointwise MLPs, yielding universal approximation results for broad classes of nonlinear operators. Unlike existing theoretical approaches to operator learning with transformers, the measure-theoretic framework also accommodates regularized negative-order Sobolev inputs for which discretization invariance is particularly challenging, as well as query points on different output domains. Overall, function graph transformers provide a continuum viewpoint and mathematical toolkit for transformer-based operator learning, clarifying the roles of positional encodings, graph structure, regularization, and ensuring consistency across discretizations.
Authors: Chengjie Hong, Feixiang He, Yiheng Zeng, Lulu Kang, He Wang
Abstract: We propose a new method for compressing physics foundation models (PFMs) which is a new trend in AI for Science. While model compression is essential for reducing memory use and accelerating inference in large foundation models, it remains under-explored for PFMs, where preserving physical fidelity is crucial. The challenge lies in the functional nature of physics data, where partial derivatives encode spatiotemporal dynamics and exhibit high sensitivity to compression. Conventional compression methods ignore this structure, often causing severe performance degradation or failure. To address this, we introduce a sensitivity-aware fidelity-enforcing compression framework that explicitly models loss-aware layer sensitivity in the output function space during compression. This provides a new route to compressing scientific foundation models while preserving accuracy and physical fidelity. Experiments show substantial gains over existing methods across multiple models and datasets, achieving significantly higher compression ratios while maintaining accuracy, in some cases by orders of magnitude. More broadly, the work potentially leads to a new subfield of efficient, deployable, and sustainable scientific foundation models in AI for Science.
Authors: Le Su, Xing Luo, Zhi Jin
Abstract: Recently, residual reconstruction-based model quantization methods have achieved promising performance in low-bit post-training quantization (PTQ) by introducing cross-layer residuals to reduce error accumulated from previous layers.However, these residuals may also introduce additional bias arising from the Hessian-approximation (HA) assumption underlying reconstruction-based PTQ, leading to suboptimal quantization performance.In this work, we analyze that multiplying the residual term by a scaling coefficient provides a direct way to mitigate the HA bias associated with residual strength, while preserving accumulated-error correction. More importantly, we observe that this trade-off is module-dependent, making a single global residual strength insufficient to balance effective correction and residual-related bias across modules.Based on these observations, we propose Module-Adaptive Residual Reconstruction (MARR), which assigns a module-specific scaling coefficient to adaptively balance accumulated-error correction and residual-related HA bias for each module.To avoid expensive per-module coefficient search and obtain a stable coefficient estimate, we design a Proportional-Integral-Derivative (PID)-based adaptive update strategy that uses reconstruction error as feedback to progressively refine this coefficient. Experiments on several typical large language models (LLMs) and vision transformers (ViTs) demonstrate the effectiveness of MARR under low-bit quantization (less than or equal to 4-bit), achieving up to 20.2% performance gains on LLMs and up to 4.6% relative gains on ViTs over the residual reconstruction state-of-the-art methods.Code will be made publicly available upon acceptance.
Authors: Jinglong Xiong, Xiaotian Liu, Ruoxin Wang, Zihang Liu, Yefan Zhou, Yujun Yan, Yaoqing Yang
Abstract: Randomized linear algebra (RLA) algorithms are a modern class of numerical linear algebra techniques that play an essential role in scientific computing and machine learning, with broad and growing adoption. However, their discovery remains mostly a manual process that requires deep expert knowledge and inspiration. While Reinforcement Learning (RL) offers a pathway to automation, standard approaches struggle with sparse reward landscapes and vast search spaces inherent to high-performing RLA algorithms. In this paper, we present RL4RLA, a general RL framework that automates the discovery of interpretable, symbolic RLA algorithms. Unlike black-box approaches, our method builds explicit algorithms from basic linear algebra primitives, ensuring verifiable and implementable representations. To enable efficient discovery, we introduce: (1) a numerical curriculum that progressively increments problem difficulty to encode inductive bias specific to the RLA domain; (2) Monte Carlo Graph Search, which optimizes exploration by identifying and merging equivalent partial algorithms. We demonstrate that RL4RLA rediscovers state-of-the-art methods, including sketch-and-precondition solvers, Randomized Kaczmarz, and Newton Sketch, and can be targeted to produce algorithms optimized for specific trade-offs between accuracy, speed, and stability. Code is available at https://github.com/Tim-Xiong/RL4RLA.
Authors: Noah Schutte, Senne Berden, Tias Guns, Krzysztof Postek, Neil Yorke-Smith
Abstract: Many real-world combinatorial problems involve uncertain parameters, which can be predicted given contextual features and historical data. These `predict-then-optimize' or `contextual optimization' problems have gained significant attention: end-to-end training methods can now minimize the downstream task cost rather than the predictive error. However, despite their effectiveness, these decision-focused learning (DFL) approaches often rely on repeated solving of the underlying combinatorial optimization problem during training, making them computationally expensive and difficult to scale. We reframe the learning problem as a cost-sensitive multi-output regression problem: multi-output due to the combinatorial problem having multiple uncertain parameters, and cost-sensitive due to the downstream task cost being the real target. Our technical contribution is the formalization of multiple loss function components that follow from this reframing: cost-insensitive normalization, decision-aware asymmetric penalization of over- and underpredictions, and instance-based costs that mimic the true downstream task-based loss locally. These components require zero or one solve per training data instance, while requiring no further solves during training. Experiments show that the combination of loss components achieves comparable downstream task quality to the state of the art, while being significantly more efficient, enabling scaling to problem sizes that have not been tackled before with DFL.
Authors: Mohammad Moulaeifard, Ciaran Bench, Philip J. Aston, Nils Strodthoff
Abstract: Uncertainty quantification (UQ) is critical for safety-critical domains like healthcare, yet it is rarely evaluated under realistic out-of-distribution (OOD) conditions. Here, we assessed predictive performance and uncertainty reliability for deep learning-based blood pressure (BP) estimation from photoplethysmography (PPG) signals under both in-distribution (ID) and OOD settings. Using an XResNet1D-50 trained on PulseDB and tested on four external datasets, we compared deep ensembles (DE) and Monte Carlo dropout (MCD) with Gaussian negative log-likelihood (GNLL) and mean squared error (MSE) losses, optionally followed by post-hoc recalibration via conformal prediction (CP), temperature scaling (TS), and isotonic regression (IR). The key findings of our study are as follows: (1) DE provides stronger predictive robustness under domain shift than MCD, an advantage that becomes clear primarily under external shift. (2) Recalibrated GNLL-based methods yield the best uncertainty calibration (e.g., GNLL+DE+CP for systolic blood pressure (SBP), GNLL+DE+TS for diastolic blood pressure (DBP)), while MSE-based uncertainty requires recalibration to become practically useful. (3) Across settings, CP and TS offer the most consistent gains, with IR remaining competitive in several cases. Overall, our results identify DE-based methods as most robust for predictive performance under domain shift, GNLL as strongest for native UQ, and recalibration as essential for making MSE-based uncertainty practical. These findings highlight the need to jointly assess predictive accuracy and calibration on external data for trustworthy cuffless BP estimation
Authors: Mert Coskuner, Merve Zeybel, Melik Mert Dolan
Abstract: Production log analytics in self-hosted, resource-constrained environments requires natural-language access to massive log streams without the cost of routing every query through a large language model. We present LogRouter, an end-to-end log question-answering system deployed on TUBITAK BILGEM's national big data platform that combines a PySpark-based Drain3 ingestion pipeline, GPU-accelerated embeddings, and dual-index storage in Apache Druid and PostgreSQL with pgvector. A two-level cost-aware router dispatches each query along one of four execution paths: direct response, Druid keyword search, template lookup with SQL generation, and pgvector semantic retrieval, while a Level-2 router selects either a 14B-class or 32B-class generator for the semantic path. A dedicated coder LLM handles text-to-SQL generation. We evaluate the system on four LogHub datasets (Linux, Apache, Windows, and Mac; 70 questions in total) under both an online full-pipeline configuration and an offline configuration that isolates the generator. The router reaches 88.4% mean accuracy across datasets and 94.7% on Linux, while the full pipeline attains a mean ROUGE-1 of 0.373, BERTScore of 0.879, RAGAS Faithfulness of 0.779, and an end-to-end latency of 18.6 s. In an apples-to-apples offline comparison, the routed system reduces mean latency by 55% versus a Fixed-32B baseline (46.3 s vs. 102.1 s) while preserving Answer Correctness within 5.8 points and exceeding a Fixed-14B baseline on RAGAS Faithfulness across every dataset. Cost-aware dispatching is therefore a practical mechanism for production log QA: routing recovers most of the quality of an always-32B configuration at less than half the latency, and the L1 keyword vocabulary makes that routing decision with high precision without a learned classifier.
Authors: M Yashwanth, Arunabh Singh, Ashok Nayak, Sai Kiran Bulusu, Anirban Chakraborty
Abstract: Federated Learning (FL) algorithms implicitly assume that clients passively comply with server-side orchestration by sharing local model updates upon server request. However, this overlooks an important aspect in real-world cross-silo environments: clients are often rational agents who may prioritize their utilities such as local model performance over that of the global model. In settings with significant statistical heterogeneity, rational clients may opt out of the federation if the perceived benefits of collaboration fail to meet their local utility thresholds. Such attrition degrades the global model performance and can lead to the collapse of the federated training process. In this work, we introduce FedUCA, (Federated Learning by Utility-Constrained Stochastic Aggregation for Improving Rational Participation), a framework that formalizes the server's role as an optimizer seeking to maximize global model performance by sustaining client participation. We substantiate our framework through extensive experiments on standard datasets demonstrating that by prioritizing participation feasibility, FedUCA achieves significantly higher client retention and, consequently, a superior global model performance.
Authors: Linyu Liu, Pinyan Lu
Abstract: Highly over-parameterized models can simultaneously memorize noisy labels and generalize well, yet how these behaviors coexist remains poorly understood. In this work, we investigate the underlying mechanisms of this coexistence using modular arithmetic tasks under heavy label noise. Through extensive experiments on two-layer neural networks, we find that larger models tend to generalize better under appropriate optimization and model configurations, while noisy labels are memorized faster than clean data. Over-parameterized models internally form a generalization structure, but its expression in the output is suppressed by the need to fit noisy labels. Remarkably, even with 80\% label noise, near-perfect test accuracy can be achieved by extracting this internal structure using frequency-based methods. We further propose a task-agnostic method to partition networks into generalization and memorization components. Although this subnetwork improves generalization, it is limited compared with frequency-based extraction, indicating that the generalization structure is distributed across neurons and motivating the development of new tools to retrieve generalizable knowledge from over-parameterized networks.
Authors: Sunwoo Lee, Mingu Kang, Yonghyeon Jo, Seungyul Han
Abstract: Cooperation is central to multi-agent reinforcement learning (MARL), yet learned coordination can be fragile when external perturbations disrupt inter-agent interactions. Prior robust MARL methods have primarily considered value-oriented attacks, leaving a gap in robustness when interaction structures themselves are corrupted. In this paper, we propose an interaction-breaking adversarial learning (IBAL) framework that takes an information-theoretic view to construct attacks that impede coordination by perturbing agents' observations and actions, and trains agents to perform reliably under such disruptions. Empirically, our approach improves robustness over existing robust MARL baselines across diverse attack settings and yields stronger performance even under agent-missing scenarios.
Authors: Ziheng Ren, Zhanming Shen, Hao Wang, Ning Liu, You Song
Abstract: Federated fine-tuning of Large Language Models faces severe statistical heterogeneity. However, existing model-level defenses often overlook the root cause: intrinsic data distribution mismatches. In this work, we first establish Federated Self-Distillation (FedSD) as a fundamental and potent strategy. By projecting client representations into a smoothed ``model-understanding space,'' FedSD alone serves as a universal booster, demonstrating superior performance over conventional algorithms. Despite its success, we identify a subtle trade-off termed the Rewrite Paradox -- unconstrained self-distillation can inadvertently increase hallucinations and redundancy. To refine this paradigm, we further propose FedSDR (Federated Self-Distillation with Rectification), the ultimate reinforced framework. It augments FedSD with a dual-stream mechanism: a local LoRA-S (Smoothing) branch to implicitly absorb heterogeneity via distilled data, and a parallel global LoRA-R (Rectification) branch anchored to raw data to enforce factual correctness. By selectively aggregating only LoRA-R, FedSDR yields a globally aligned and faithful model. Extensive experiments verify its superior performance.
Authors: Gabriel Garcia
Abstract: We study KV cache eviction under a shared globally capped decode-time harness. Seven policies (LRU, H2O, SnapKV, StreamingLLM, Ada-KV, QUEST, Random) share a prompt-boundary vulnerability: without structural protection, they collapse to near-zero quality on six pure-transformer models (F1$\leq$0.064). Reserving 10\% of cache at each boundary recovers 69--90\% of the $C{=}2{,}048$ reference-ceiling quality on seven LongBench models at $C{=}256$ (13\% retention); a ten-model panel spans 68--98\%. An attention-mass pilot (Qwen2.5-3B, $N{=}30$) suggests why: the position-0 sink holds ${\sim}75\%$ of prefix mass, while other boundary tokens sit near ${\sim}0.41{\times}$ uniform expectation, so attention scorers retain the sink but still drop structurally critical tokens. With protection, simplified score-isolation variants are TOST-equivalent to LRU at $K{=}32$ ($\Delta{=}0.02$); at $K{=}8$, attention policies pairwise converge yet beat LRU by 0.011--0.021 F1 across $C{=}256$ and $C{=}512$. Faithful Ada-KV/QUEST add ${\sim}0.03$--$0.04$ F1 on Mistral-7B and Phi-3.5 beyond simplified variants. A NIAH-32K regime-transfer pilot on Qwen3-4B (decode vs.\ prefill, $C{\in}\{512,2048\}$) shows near-identical protection lifts (ratio 0.99--1.00). At 64K, protection helps but recovery is modest; faithful per-head scoring matches full-cache ceiling on Gemma-3-4B at 6.3\% retention only when the model already supports strong 64K retrieval without eviction. Overall: protection dominates; scoring differences are secondary once boundaries are guarded; per-head allocation gives a further modest gain.
Authors: Qi Si, Penglei Wang, Yushuai Wu, Yifeng Jiao, Xuyang Liu, Xin Guo, Yuan Qi, Yuan Cheng
Abstract: Predicting spatial gene expression from routine H\&E enables large-scale molecular profiling, yet current models treat this as isolated pointwise tasks, thereby overlooking essential biological structures like gene coordination and spatial distribution. To preserve these relationships, we introduce \textbf{FLAG}, a diffusion-based framework that redefines this task as structured distribution modeling. At the same time, we identify the critical \textbf{Gene Dimension Curse}, where joint modeling gene expression and their spatial interactions fail in high-dimensional spaces, and FLAG solves this challenge by integrating a spatial graph encoder for topological consistency and utilizing Gene Foundation Model (GFM) alignment for gene-gene fidelity in the generation process. To rigorously assess model performance, we propose a set of novel structural evaluation metrics, including Gene Structural Correlation (\textbf{GSC}) and Spatial Structural Correlation (\textbf{SSC}). Our experiments demonstrate that FLAG is highly competitive in traditional accuracy (PCC/MSE) while achieving significantly enhanced structural fidelity in capturing both gene-gene and gene-spatial relationships. The code is available at https://github.com/darkflash03/FLAG.
Authors: Seyed Mohamad Moghadas, Esther Rodrigo Bonet, Bruno Cornelis, Adrian Munteanu
Abstract: Residual error propagation remains a fundamental problem in recurrent models, where small prediction inaccuracies compound over time and degrade long-horizon performance. Accurately modeling the correlation structure of such residuals is critical for reliable uncertainty quantification in probabilistic multivariate timeseries forecasting. While recent time-series deep models efficiently parametrize time-varying contemporaneous correlations, they often assume temporal independence of errors and neglect spatial correlation across the observed network. In this paper, we introduce Teger, a structured uncertainty module that overcomes the spa- tial and temporal limitations of error-correlated autoregressive forecasting. Teger proposes a spatial curvature-aware graph rewiring mechanism explicitly strengthening information-bottleneck edges identified by discrete Forman curvature. The component is integrated into a low-rank-plus-diagonal covariance head, preserving tractable inference via the Woodbury identity. Teger is backbone-agnostic, requiring only the latent state produced by any autoregressive encoder. We provide theoretical evidence of Teger, and experimentally evaluate it on LSTM, Transformer, and xLSTM backbones across four real-world spatio-temporal datasets, showing consistent improvement in Continuous Ranked Probability Score (CRPS). We further provide a formal theoretical analysis connecting curvature-aware rewiring to (i) oversquashing alleviation, (ii) improved spectral connectivity, (iii) reduced effective resistance, and (iv) improved covariance calibration bounds
Authors: Yevhen Shcherbinin, Arina Redina, Maxim Kalpin, Vlad Kochetov
Abstract: Multi-agent policy-gradient methods have been shown to converge locally near stable Nash equilibria. Local convergence, however, does not determine which equilibrium is reached. We study this question through basin-entry probability with respect to a target set of equilibria selected by an external criterion, such as payoff dominance. For finite-unroll Meta-MAPG, we show that the update decomposes into ordinary policy gradient plus own-learning and peer-learning corrections, with controlled sampling noise and finite-unroll bias. We identify the peer-learning correction as the main equilibrium-selection mechanism: under a local alignment condition, the probability of entering the certified attraction region of the target stable-Nash set increases, relative to ordinary policy gradient. Because persistent correction may shift zero-update points of the original game, annealing the correction after entering the basin recovers ordinary policy-gradient dynamics and inherits local stable-Nash convergence guarantees. Experiments in Stag Hunt, iterated Prisoner's Dilemma, and preliminary neural-policy coordination environments support this basin-entry view, showing increased entry into cooperative basins under peer-aware updates.
Authors: Moritz Br\"osamle, Stephan Eckstein
Abstract: Existing expressivity results for transformers typically rely on hardmax attention, high precision, and other architectural modifications that disconnect them from the models used in practice. We bridge this gap by analyzing standard transformer decoders with softmax attention and rounding of activations and attention weights, while allowing depth and width to grow logarithmically with the context length. As an intermediate step, we construct hardmax transformers with ternary activations and well-separated attention scores that simulate Turing machines using Chain-of-Thought (CoT). This lets us convert the constructions to equivalent softmax transformers without the unrealistic parameter magnitudes or activation precision that prior approaches would require. Using the same technique, we analyze a recently proposed summarized CoT paradigm and show that it simulates Turing machines more efficiently, with model size scaling logarithmically in a space bound rather than a time bound. We empirically test predictions made by our results on a Sudoku reasoning task and find better alignment with learnability than for prior high-precision results. Our code is available at https://github.com/moritzbroe/transformer-expressivity.
URLs: https://github.com/moritzbroe/transformer-expressivity.
Authors: Stefano Riva, Yantao Luo, Carolina Introini, Antonio Cammi
Abstract: pyforce is a Python package implementing Data-Driven Reduced Order Modelling techniques for applications to multi-physics problems, mainly set in the Nuclear Engineering world. The package is part of the ROSE (Reduced Order modelling with data-driven techniques for multi-phySics problEms): mathematical algorithms aimed at reducing the complexity of multi-physics models (for nuclear reactors applications), at searching for optimal sensor positions and at integrating real measures to improve the knowledge on the physical systems. With respect to the previous original implementation based on dolfinx package (v0.6.0), version 1.0.0 of pyforce has been completely re-written using pyvista as backend for mesh importing, computing integrals, and visualisation of results; in addition, functions are stored as numpy arrays, improving the ease of use of the package. This choice allows to use pyforce with any software solver able to export results in VTK format.
Authors: Bart Baesens, Andreas Goethals, Stefan Lessmann, Simon De Vos, Cristi\'an Bravo, David Martens, Victor Medina-Olivares, Christophe Mues, Maria Oskarsd\'ottir, Seppe vanden Broucke, Tim Verdonck, Wouter Verbeke
Abstract: Predictive models play a pivotal role in credit risk management, guiding critical decisions through accurate estimation of default probabilities and losses. Extensive research has introduced new modeling techniques, complemented by large-scale benchmarking studies consolidating the state-of-the-art. Today, quasi-standards such as gradient-boosting models paired with SHAP explainers have emerged, yet continuous improvement of risk models remains a top priority. Concurrently, rapid advancements in AI, most notably large language models, have disrupted predictive modeling paradigms. Foundation models, pretrained on extensive datasets from diverse domains, have demonstrated remarkable performance by leveraging prior knowledge. While prevalent in natural language processing and computer vision, foundation models for tabular data have only recently emerged. We conjecture that pretraining on out-of-domain data is particularly beneficial in small-data settings, such as SME lending or specialized corporate portfolios, and may help address longstanding challenges including low default portfolios and class imbalance. This paper benchmarks recently proposed tabular foundation models against a broad set of competitors, including established and advanced machine learning techniques, across two core tasks: PD and LGD modeling. Our evaluation encompasses various datasets, performance indicators, and experimental conditions. We find that tabular foundation models generally perform best across datasets and tasks. Moreover, they offer significant improvement in predictive performance as dataset size shrinks. These results are remarkable given that the models are tested out-of-the-box, without hyperparameter tuning, ensuring ease of use and mitigating computational costs.
Authors: Junyi Wu, Tianchen Zhao, Shaoqiu Zhang, Linfeng Zhang, Guohao Dai, Yu Wang
Abstract: Unlike autoregressive models, which generate one token at a time, dLLMs denoise a chunk of [MASK] tokens jointly and sample one or more tokens per step; despite enabling parallel decoding, this process incurs substantial computational cost due to the large chunk size of masked tokens. We observe that much of this cost is spent on repeatedly processing the preceding context and many [MASK] tokens with the same feature representations, indicating considerable computational redundancy. In this work, we revisit dLLM's redundancy from the perspective of [MASK] tokens. Through systematic analysis, we verify the redundancy of [MASK] tokens while revealing their critical role in providing structural information. Guided by these findings, we propose position-preserving [MASK] token compression and terminal-aware augmentation. By compressing redundant [MASK] computation, this approach accelerates decoding and further provides a natural extension toward context-folding-like long-context scaling under limited input-length constraints for full-sequence dLLMs such as LLaDA-8B-Instruct and LLaDA-1.5. Moreover, for block dLLMs such as LLaDA2.0-mini, it augments the context with a protected terminal [MASK] token to enhance generation quality with negligible overhead.
Authors: Abdurakhmon Sadiev, Artavazd Maranjyan, Ivan Ilin, Peter Richt\'arik
Abstract: Muon has recently emerged as a strong alternative to AdamW for training neural networks, with encouraging large-scale pretraining results and growing evidence that matrix-structured updates can be faster in practice. Yet Muon, and more generally Linear Minimization Oracle (LMO) based methods, are typically used synchronously. This is problematic in heterogeneous distributed systems, where workers complete gradient computations at different speeds and synchronous training must repeatedly wait for slower workers. In this work, we introduce Ringmaster LMO, an asynchronous LMO-based momentum method for unconstrained stochastic nonconvex optimization. Our method builds on the delay-thresholding idea of Ringmaster ASGD. For SGD-type methods, Ringmaster ASGD achieves optimal time complexity by discarding overly stale gradients. Ringmaster LMO extends this mechanism to general LMO-based updates. We establish convergence guarantees under generalized $(L_0, L_1)$-smoothness and further develop a parameter-agnostic variant with decreasing stepsizes and adaptive delay thresholds. Finally, we translate our iteration guarantees into time complexity bounds under heterogeneous worker computation times. In the classical Euclidean smooth setting, these bounds recover the optimal time complexity of Ringmaster ASGD. Experiments on stochastic quadratic problems and NanoChat language-model pretraining show that the advantages of Ringmaster LMO grow with system heterogeneity and that the method outperforms strong synchronous and asynchronous baselines.
Authors: Robson W. S. Pessoa, Julien Amblard, Alessandra Russo, Idelfonso B. R. Nogueira
Abstract: Anomaly detection in batch processes is hindered by transient dynamics, scarce fault labels, and reliance on single-modality sensor data. This work introduces UTOPYA (Unified Temporal Observation for Physics-Informed Anomaly Detection and Time-Series Prediction), a 15.2M-parameter multimodal framework that jointly addresses anomaly detection, time-series prediction, and phase classification in batch distillation by fusing eight data modalities through Feature-wise Linear Modulation (FiLM) conditioned cross-modal attention and gated fusion. A physics-informed regularisation scheme introduced in this work enforces temporal smoothness and thermodynamic monotonicity, while curriculum learning introduces training samples in order of physical difficulty. On the 119-experiment multimodal batch distillation dataset of Arweiler et al. (2026), UTOPYA achieves a window-level test AUROC of 0.832 and 0.874 under multi-signal experiment-level scoring, substantially outperforming four external baselines (PCA, autoencoder, Isolation Forest, and LSTM autoencoder) evaluated under identical conditions (+0.147 window-level AUROC over the best baseline). A multimodal ablation over 15~architectural configurations shows that static context via FiLM conditioning is the key enabler, lifting experiment-level multi-signal AUROC by +0.145 over the unimodal baseline (0.729 to 0.874). Separately, a training ablation across 14 design choices reveals that several widely-adopted techniques, including instance normalisation, Mixup, ensembling, test-time augmentation, and stochastic weight averaging, fail to improve or actively degrade generalisation in this data-scarce setting. These negative results expose a fundamental tension between smoothing-based regularisation and anomaly detection, providing practical guidance for multimodal process monitoring deployment.
Authors: Grigory Bartosh, David Ruhe, Emiel Hoogeboom, Jonathan Heek, Thomas Mensink, Tim Salimans
Abstract: Diffusion models achieve state-of-the-art generative performance but suffer from high computational costs during inference due to the repeated evaluation of a heavy neural network. In this work, we propose Dual-Rate Diffusion, a method to accelerate sampling by interleaving the execution of a heavy high-capacity context encoder and a light efficient denoising model. The context encoder is evaluated sparsely to extract high-dimensional features, which are effectively reused by the light denoising model at every step to refine the sample efficiently. This approach significantly accelerates inference without compromising sample quality. On ImageNet benchmarks, Dual-Rate Diffusion matches the performance of standard baselines while reducing computational cost by a factor of $2$-$4$. Furthermore, we demonstrate that our method is compatible with distillation techniques, such as Moment Matching Distillation, enabling further efficiency gains in few-step generation.
Authors: Samuele Bortolotti, Emanuele Marconato, Andrea Pugnana, Andrea Passerini, Stefano Teso
Abstract: Neuro-Symbolic Concept-based Models (NeSy-CBMs) are a family of architectures that integrate neural networks with symbolic reasoning for enhanced reliability in high-stakes applications. They work by first extracting high-level concepts from the input and then inferring a task label from these compatibly with given logical constraints. Yet, their label and concept predictions can be overconfident, making it difficult for stakeholders to gauge when the model's decisions can be trusted. We address this issue by integrating ideas from Conformal Prediction (CP), a framework providing rigorous, distribution-free coverage guarantees. We formalize three desiderata -- consistency, coverage, and conciseness -- that any conformal method for NeSy-CBMs should satisfy, and show that existing approaches fall short of at least one. We then introduce COCOCO, a post-hoc framework that conformalizes concepts and labels jointly and reconciles them via a single deduction-abduction revision step. COCOCO satisfies all three desiderata, retains distribution-free coverage, is robust to imperfect knowledge and supports user-specified size budgets. Our experiments on 8 data sets highlight how COCOCO compares favorably against competitors and natural baselines in terms of performance and set size.
Authors: Zegu Zhang, Jianhua Peng, Jian Zhang
Abstract: We study exact constant collapse in variational autoencoders, where the deterministic encoder path becomes independent of the input. The VAE prior is kept as the standard Gaussian. Before VAE training, we construct a single fixed teacher posterior by searching a GMM-based approximation of the data. We then attach a fixed latent-only simplex witness to the encoder mean and compare its output with the teacher. The resulting alignment loss has an exact constant-predictor baseline: if the latent witness beats this baseline, the encoder mean cannot be input-independent constant. The same construction also gives a closed-form latent target that realizes zero teacher-witness alignment error for any full-support teacher posterior. This yields a concrete design principle: choose a teacher with nontrivial information but controlled log-odds energy, fix the witness, train only the encoder and decoder, and certify non-collapse by a positive margin. We present the theory, a minimal training protocol, and preliminary MNIST sanity checks. The analysis targets exact constant collapse. Reconstruction quality, sampling quality, and other collapse modes are evaluated with additional diagnostics rather than folded into the certificate itself.
Authors: David Chanin
Abstract: Sparse autoencoders (SAEs) are a core interpretability tool for large language models, and progress on SAE architectures depends on benchmarks that reliably distinguish better SAEs from worse ones. We audit the SAE quality metrics in SAEBench, the de-facto standard SAE evaluation suite, through three complementary lenses: reseed noise on a fixed SAE, ground-truth correlation on synthetic SAEs, and discriminability across training trajectories. We find that two of these metrics, Targeted Probe Perturbation (TPP) and Spurious Correlation Removal (SCR), fail multiple lenses at their canonical settings and should not be used to evaluate SAEs. The other metrics show higher reseed noise and lower discriminability than the field assumes. The sae-probes variant of $k$-sparse probing is the most reliable metric we tested, but even sae-probes struggles to separate variants of the same SAE architecture. Our results show the field needs better SAE benchmarks.
Authors: Gabriel Sauger (UL,CNRS,LORIA,Inria), Jean-Yves Marion (UL,CNRS,LORIA,Inria), Sazzadur Rahaman (CNRS,UL,LORIA,Inria), Victor Matrat (CNRS,UL,LORIA,Inria), Vincent Tourneur (UL,CNRS,LORIA,Inria), Muaz Ali
Abstract: Binary function classifiers play a crucial role in maintaining the security and integrity of software systems by detecting malicious code and unauthorized modifications. However, machine learning-based classifiers are vulnerable to adversarial attacks that can evade detection. In this study, we present Kelpie, a novel framework for executing mimicry attacks, a stronger type of targeted evasion attacks, on binary function classifiers in a black-box, zero-query setting. Unlike previous approaches that rely on querying the target classifier to refine untargeted evasion attacks, Kelpie leverages code transformations that preserve the functionality of malicious payloads while causing them to be misclassified as we want. Through extensive experimentation, we demonstrate that Kelpie can successfully execute mimicry attacks against six state-of-the-art binary function classifiers representing different model architectures without requiring direct interaction with them. We further validate our approach with a practical demonstration, involving a keylogger and a wiper concealed within benign-looking functions embedded in an application. This work, to our best knowledge, is the first to demonstrate such a mimicry attack in a black-box, zero-query context, raising important questions about the reliability and security of existing machine learning-based binary function classifiers.
Authors: Lin William Cong, Guangyan Gan, Hanzhang Qin, Zhenzhen Yan
Abstract: We study reinforcement learning (RL) in multi-dimensional continuous state and action spaces with one-sided feedback, where the agent receives partial observations of the state and obtains reward information for only a subset of the state-action space at each time step. This setting introduces substantial challenges in both learning efficiency and privacy preservation. To address these challenges, we propose POOL, a novel privacy-preserving RL algorithm. We conduct a comprehensive theoretical analysis of POOL, deriving a sample complexity bound that matches the known lower bounds for non-private RL. Here, E_rho denotes the privacy parameter, H is the time horizon, and alpha is the optimality-gap parameter. Our findings show that it is possible to enforce strong privacy guarantees while maintaining high learning efficiency, marking a significant step toward practical, privacy-aware RL in multi-dimensional environments with one-sided feedback.
Authors: Afiq Abdillah Effiezal Aswadi, Oliver Britton, Ross Baker, Matthew Farrugia-Roberts
Abstract: Modern deep learning science often assumes that neural networks learn from a fixed data distribution. However, many practically important learning problems involve data distributions that change throughout training. How does such non-stationarity impact the inductive biases of deep learning towards models with different structural, generalisation, and safety properties? A fruitful testbed for studying inductive bias is in-context linear regression sequence modelling, where small transformers display strikingly different generalisation patterns depending on the diversity of the (fixed) training task distribution. In this paper, we explore the effect of diversifying the task distribution across training time, finding that such temporal diversity leads to an increased bias towards generalisation over memorisation.
Authors: Xueyu Luan, Chenwei Shi
Abstract: World models built on recurrent state space architectures enable efficient latent imagination, yet remain physically unstructured, producing dynamics that violate conservation and dissipative principles. We introduce a unified Port-Hamiltonian framework that remedies this through three synergistic mechanisms. First, we embed implicit physical priors into recurrent transitions by modeling projected latent evolution as action controlled energy routing governed by flow and dissipation, biasing the projected PH phase space toward a more compact and physically structured representation. Second, we develop a kinematics aware energy world model that estimates the Hamiltonian and power balance from proprioceptive observations, providing an explicit physical signal for thermodynamic reasoning. Third, leveraging these energy gradients, we establish an energy guided Actor-Critic that uses Lagrangian multipliers to regularize policy optimization toward lower energy and smoother control. Across visual control benchmarks, this paradigm not only attains superior asymptotic returns but also elevates internal simulator fidelity by establishing a tighter, lower variance alignment between imagined and real rewards, all while reducing latent phase space volume by 4.18-8.41%, energy consumption by up to 7.80%, and mean squared jerk by up to 9.38%.
Authors: Yuhan Huang, Huanran Chen, Yinpeng Dong
Abstract: Although Large Language Models (LLMs) achieve strong alignment through supervised fine-tuning and reinforcement learning from human feedback, the alignment is often fragile under subsequent fine-tuning. Existing explanations either attribute alignment fragility to gradient geometry or characterize it as a distributional shift in model outputs, yet few provide a unified account that bridges parameter-space learning dynamics with function-space alignment behavior during fine-tuning. In this work, we introduce a tractable alignment score and derive its closed-form update during fine-tuning, yielding a unified framework for alignment dynamics. Our analysis decomposes alignment updates into two competing components: a \textbf{\color{red!60!black} Rebound Force}, governed jointly by the current alignment state and the narrowness of model distribution, and a \textbf{\color{green!60!black} Driving Force}, determined by how the training distribution aligns with outcome-conditioned posteriors over aligned and non-aligned completions. This decomposition explains why prior alignment can be reversed by later fine-tuning and why narrower posterior structure strengthens such reversal. Moreover, our framework predicts a \textbf{Rehearsal Priming Effect}: prior alignment leaves a latent posterior imprint that amplifies the effective Driving Force upon re-exposure, leading to faster re-alignment. We validate these predictions across safety alignment, emergent misalignment, and sentiment settings, demonstrating consistent alignment reversal and accelerated re-alignment under re-exposure. In addition, controlled experiments in safety alignment confirm the predicted dependence of rebound strength on posterior narrowness. Together, these results provide a unified dynamical perspective on how alignment is disrupted and reactivated during LLM fine-tuning.
Authors: Chuansen Peng, Xiaojing Shen
Abstract: Inferring time-varying graph structures from high-dimensional nodal observations is a fundamental problem arising in neuroscience, finance, climatology, and beyond. Two intrinsic challenges govern this problem: maintaining the \emph{temporal coherence} of the latent graph across successive observation windows, and respecting the \emph{intrinsic Riemannian geometry} of the symmetric positive definite manifold on which precision matrices naturally reside, a curved space whose geodesic structure departs fundamentally from that of the ambient Euclidean space. In this paper we propose dynamic estimation on the Grassmann manifold with a factor model (\textsc{Degfm}), a novel algorithm that jointly addresses both challenges. We model the time-varying precision matrix sequence as a low-rank-plus-diagonal structure governed by a latent elliptical graph factor model, which drastically reduces the effective parameter count and enables reliable estimation in the challenging small-sample regime. Temporal coherence is enforced through a Riemannian geodesic penalty defined on the Grassmann manifold, ensuring that the estimated graph trajectory is smooth with respect to the intrinsic geometry rather than the ambient Euclidean space. To solve the resulting non-convex optimization problem over Grassmann-manifold-valued sequences subject to the LRaD constraint, we derive an efficient Riemannian gradient descent algorithm that respects the manifold structure at every iterate and rigorously establish its convergence to a stationary point. Extensive experiments on both synthetic benchmarks and real-world datasets demonstrate that \textsc{Degfm} consistently outperforms state-of-the-art baselines across all evaluation metrics, confirming the practical effectiveness of the proposed framework.
Authors: Johanna Marie Gegenfurtner, Moritz Grillo, Guido Mont\'ufar
Abstract: We develop a framework for analyzing parameter symmetries in deep ReLU networks and obtain a complete characterization of the generic parameter fibers for three-layer bottleneck architectures. Our approach provides explicit semi-algebraic descriptions of these fibers and yields a polynomial time algorithm for deciding functional equivalence of two parameters. The symmetries include discrete and continuous transformations arising from layer composition, and depend on whether deeper layers hide or preserve geometric structure from preceding layers. Finally, we show that some of these symmetries induce local conservation laws along gradient flow, while others do not.
Authors: Yifei Chen, Shaoqin Zhu, Xiaoqiang Ji
Abstract: Offline reinforcement learning methods typically enforce strict constraints to ensure safety; yet this rigidity often prevents the discovery of optimal behaviors outside the immediate support of the behavior policy. To address this, we propose Implicit Support Expansion via stochastic Policy optimization (ISEP), which leverages a value function interpolated between in-distribution data and policy samples to implicitly expand the feasible action support. This mechanism "densifies" high-reward regions, creating a navigable path for policy improvement while theoretically guaranteeing bounded value error. However, optimizing against this expanded support creates a multimodal landscape where standard deterministic averaging leads to mode collapse and invalid actions. ISEP mitigates this via a stochastic action selection strategy, optimizing the policy by stochastically alternating between conservative cloning and optimistic expansion signals. We instantiate this framework as ISEP-FM using Conditional Flow Matching utilizing classifier-free guidance to effectively capture the interpolated value signal.
Authors: Diego Coello de Portugal Mecke, Tom Hanika, Lars Schmidth-Thieme
Abstract: Large Language Models (LLMs) have experienced significant growth and development in recent years. However, performing inference on LLMs remains costly, especially for long-context inference or in resource-constrained devices. This motivates the development of new post-training pruning (PTP) methods. These methods reduce LLMs' requirements by removing a substantial part of the model's parameters. The discarded weights are selected depending on their impact on the models performance. Current PTP methods prune the models by removing the less informative hidden nodes from the FFN layers, and the least important attention layers. We propose Putri, a PTP method that introduces three changes to the State- of-the-art. First, we update the un-pruned weights of the FFN to compensate for the introduced pruning error. Second, the FFN layers are pruned sequentially, taking into account the updates done to the previous layers. Third, instead of removing full attention layers, we remove individual attention-heads. We extend this method such that it can also address Grouped-Query Attention. In summary, Putri is a structure pruning method which remains simple while showing SOTA performance. Pruning experiments on multiple models with a wide variety of sparsity ranges and on different datasets, validate the generality of Putri. Notably, we demonstrate that, unlike previous methods, Putri can prune LLMs on extreme sparsity ratios. The code is available at: https://github.com/Coello-dev/Putri.
Authors: Fanyi Wu, Lihua Niu, Samuel Kaski, Michele Caprio
Abstract: Bayesian conformal optimisation methods often use the same held-out data both to search for efficient prediction sets and to certify coverage or risk. This coupling is natural for high-probability risk-control guarantees, but it is not necessary when the target is standard finite-sample marginal conformal coverage. We propose Decoupled Conformal Optimisation (DCO), a train-tune-calibrate design principle that uses an independent tuning split for efficiency-oriented structural selection and a fresh calibration split for the final conformal quantile. Conditional on the tuned structure, standard split-conformal exchangeability yields finite-sample marginal coverage for any candidate class, without a confidence parameter or multiple-testing correction. DCO therefore targets a different finite-sample guarantee from PAC-style methods: marginal conformal coverage rather than high-probability risk control. Under consistency assumptions on the coupled risk bound, the two approaches nevertheless converge to the same population threshold. Across classification and regression benchmarks, including ImageNet-A, CIFAR-100, Diabetes, California Housing, and Concrete, DCO tracks the nominal coverage level closely while often reducing average prediction-set size or interval width relative to PAC-style calibration. On ImageNet-A, for example, the average set size decreases from $26.52$ to $25.26$ and the 95th-percentile set size from $58.95$ to $53.73$; on Diabetes, the average interval width decreases from $2.098$ to $1.914$.
Authors: Guillaume Lauga (LJAD), Cesare Molinari (MaLGA), Samuel Vaiter (CNRS,LJAD)
Abstract: Global optimization is a challenging problem, with plenty of algorithms displaying empirical success, but scarce theoretical backing. In this work, we propose a new theoretical framework called Proximal Basin Hopping (PBH), carefully tailored to combine proximal optimization and local minimization. We use it to construct a practical algorithm that converges to the global minimizer with high probability, when using a finite amount of samples. Proximal Basin Hopping outperforms well known algorithms with theoretical backing on standard synthetic hard functions, and real problems such as fitting scaling laws for deep learning. Furthermore, the higher the dimension, the better the performance gap.
Authors: Soheyl Massoudi, Gabriel Apaza, Milad Habibi, Mark Fuge
Abstract: Large language models (LLMs) typically approach combinatorial optimization as an inference-time procedure, solving each instance separately through sampling, search, or repeated prompting. We ask whether reinforcement learning can instead shift part of this reasoning cost into the weights of a code LLM, so that the model synthesizes a reusable solver for an entire problem family. We study this question on Synergistic Dependency Selection (SDS), a controlled variant of constrained Quadratic Knapsack designed to expose a specific failure mode: local signals and strict feasibility constraints make greedy heuristics attractive but unreliable. Under identical scaffolding, Best-of-64 base-model sampling saturates at an approximately 28.7% gap to the global Virtual Best Solver (VBS); code audits show that the base model often retrieves Simulated Annealing templates but misimplements the Metropolis acceptance rule. We fine-tune Qwen2.5-Coder-14B-Instruct with Group Relative Policy Optimization (GRPO) using a feasibility-gated reward and light structural scaffolding. The resulting policy converges to a constraint-aware Simulated Annealing template in 99.8% of feasible SDS outputs, achieves a 5.0% gap to that VBS, and is 91 times cheaper in post-generation execution/search cost than cumulative Best-of-64 evaluation. A compile-once check shows that one best frozen solver per seed remains highly competitive when reused unchanged across the SDS test set, while an additional-domain evaluation on Job Shop Scheduling provides narrower but positive evidence that the scaffold transfers beyond SDS. Negative ablations reveal the limits of this recipe: standard stabilizers degrade performance, a soft feasibility gate fails, and results remain sensitive to reward normalization and domain-specific design choices.
Authors: Nikita P. Kalinin, Aki Rehn, Joel Daniel Andersson, Antti Honkela, Christoph H. Lampert
Abstract: Correlated-noise mechanisms are among the most promising approaches for improving the utility of differentially private model training, but rigorous guarantees require explicit, analyzable factorizations, and practical deployment requires memory efficiency. Recent works have developed banded inverse factorizations, which address both requirements by exploiting a banded structure in the correlation matrix. The bandwidth controls the size of the noise buffer used to correlate noise across iterations, and thus governs the tradeoff between utility and memory cost. Existing factorizations highlight this tradeoff: DP-$\lambda$CGD achieves high memory efficiency by using only a one-step noise buffer, but this limits its utility gains, while the banded inverse square root (BISR) factorization exploits larger correlation windows and is asymptotically optimal for large bandwidths but performs poorly at low bandwidths. We propose $\gamma$-BIFR, a unified generalization of both factorizations. In the low-memory, low-bandwidth regime, $\gamma$-BIFR significantly improves RMSE, amplified RMSE, and private training performance, while yielding tighter theoretical guarantees for multi-participation error in multi-epoch training.
Authors: Christoph Griesbacher, Lea Bogensperger, Andreas Habring, Thomas Pock
Abstract: Molecules in equilibrium follow a Boltzmann distribution, making the underlying energy landscape a physically grounded modeling objective. However, such landscapes are difficult to learn from data and, once learned, hard to sample from. Diffusion and flow-matching models sidestep these difficulties by learning a time-conditional score or transport field between noise and data, losing the energy inductive bias in exchange for a more tractable training objective. We introduce EBMol, an energy-based model (EBM) that restores this inductive bias by learning an atom-additive scalar potential without explicit simulation during training. Our method employs a flow-inspired Restoring Field Matching objective to approximate the energy landscape. We adopt the Mirror-Langevin algorithm for sampling, enabling unified updates of atomic positions and types, and incorporate parallel tempering for inference-time compute scaling. EBMol is the first EBM for 3D molecular generation to achieve state-of-the-art performance on QM9 and GEOM-Drugs. Moreover, we show that the learned energy landscape serves as a principled quality metric for ranking and filtering configurations, and demonstrate controllable generation without retraining through shape-steered sampling via potential composition and zero-shot linker design.
Authors: Pascal Pfeiffer, Dmitry Gordeev, Mathias M\"uller, Laura Fink, Joan Salv\`a Soler, Mark Landry, Branden Murray, Marcos V. Conde, Sri Satish Ambati
Abstract: We present TabH2O, a foundation model for tabular data that performs classification and regression in a single forward pass via in-context learning. TabH2O builds on the TabICL architecture with several key modifications: (1) unified training, a single model handles both classification and regression via a dual-head architecture, eliminating the need for separate models and reducing total pretraining cost; (2) single-stage pretraining, training stability improvements (bounded scalable softmax, inter-stage normalization, learnable residual scaling, logit soft-capping) eliminate the need for multi-stage curriculum learning, enabling training with full-length sequences from the start; and (3) noise-aware pretraining, synthetic datasets include explicit noise dimensions to teach the model robustness to irrelevant features. We evaluate TabH2O v1 (29.2M parameters) on the TALENT benchmark (300 datasets), where it achieves an average rank of 2.55 out of 6 evaluated methods, outperforming tuned CatBoost (4.07), H2O AutoML (4.18), and LightGBM (5.08), competitive with TabPFN v2.6 (2.74), and behind TabICL v2 (2.12), while placing in the top-3 on 81% of the testing datasets across classification and regression tasks.
Authors: Stefano Carotti, Marco Pacini, Alessio Gravina, Davide Bacciu, Bruno Lepri, Sebastiano Bontorin
Abstract: Graph Neural Networks (GNNs) and Graph Transformers (GTs) are now a fundamental paradigm for graph learning, combining the representation-learning capabilities of deep models with the sample efficiency induced by their inductive biases. Despite their effectiveness, a large body of work has shown that these models still face fundamental limitations in tasks that require capturing correlations between distant regions of a graph. To address this issue, we introduce Graph Hierarchical Recurrence (GHR), a novel framework that operates jointly on the input graph and on a hierarchical abstraction obtained through pooling. We also show that the limitations of existing models are even more pronounced in out-of-range generalization, where test instances involve interactions over distances longer than those observed during training. By contrast, despite its simple design, GHR provides three key advantages: strong performance on long-range dependencies, improved out-of-range generalization, and high parameter efficiency. To corroborate these claims, we show that across a broad set of long-range benchmarks, GHR consistently outperforms existing graph models while using as little as 1% of the parameters of current state-of-the-art models. These results suggest a complementary direction to the current trend of scaling architectures to obtain graph foundation models, indicating that increased model capacity alone may not be sufficient for generalization.
Authors: Pierre Hou\'edry, Iskander Legheraba, L\'eo Buecher, Nicolas Courty
Abstract: Optimal transport provides a powerful framework for comparing measures while respecting the geometry of their support, but comes with an expensive computational cost, hindering its potential application to real world use cases. On manifolds, convolutional algorithms based on the heat kernel have been proposed to alleviate this cost, but their theoretical properties remain largely unexplored. We establish that the heat kernel cost converges to the optimal transport cost as time vanishes in the balanced and unbalanced cases. In the specific case of the 2-sphere $\mathbb{S}^2$, we ensure that the associated Sinkhorn divergences retains the desirable geometric and analytic properties of classical optimal transport discrepancies. Moreover, we leverage the harmonic structure of the sphere to derive a fast Sinkhorn algorithm, requiring only $\mathcal{O}(n)$ memory and $\mathcal{O}(n^{3/2})$ time per iteration, with fully dense GPU-friendly operations. We validate its computational efficiency on synthetic data, and discuss its potential use in the evaluation of global climate models, providing both spatial and seasonal insights into models performances.
Authors: Joris C. K\"uhl, Hanno Gottschalk
Abstract: Physical AI is being successfully applied to data which does not follow the traditional paradigm of independent and identically distributed (i.i.d.) samples. In fact, physical AI is often trained on data which is not random at all, and is instead derived from chaotic dynamical systems like turbulence. We aim to explain the empirical success of these methods using the example of generative adversarial networks (GANs), whose statistical learning theory under the i.i.d. assumption is generally well understood. We prove that it is possible, using an infinite-dimensional model of generative adversarial learning (GAL), to learn the invariant distribution of a sufficiently chaotic dynamical system from a single deterministically evolving time series of its states or measurements thereof, and give explicit rates for the convergence to the solution in terms of the Jensen-Shannon divergence.
Authors: Liang Wang, Heng Meng, Zekai Xiang, Jin Liu, Pingyi Zhou, Litao Chen, Yongqiang Tang
Abstract: Text-to-CAD generation aims to create parametric CAD models from natural language, enabling rapid prototyping and intuitive design workflows. However, existing benchmarks focus on basic primitives and simple sketch-extrude sequences, lacking advanced features essential for real-world applications and covering only traditional mechanical parts. We introduce Text2CAD-Bench, the first benchmark systematically evaluating text-to-CAD across geometric complexity and application diversity. Our benchmark comprises 600 human-curated examples spanning four levels: L1-L2 cover fundamental geometry with standard features, L3 introduces complex topology and freeform surfaces, and L4 extends to real-world domains beyond mechanical parts. Each example pairs dual-style prompts -- geometric descriptions mimicking non-expert users, and procedural sequences aligned with expert-level conventions. Evaluating mainstream general LLMs and domain-specific models, we find that current models perform reasonably on basic geometry but degrade substantially on complex topology and advanced features. We release our benchmark to drive progress in text-to-CAD research.
Authors: Yaorong Huang, Jingtao Luo, Xuechao Wang
Abstract: Vehicular edge computing (VEC) enables latency-sensitive vehicular applications by offloading computation-intensive tasks to nearby edge servers. However, real-world vehicular workloads are typically modeled as heterogeneous directed acyclic graph (DAG) tasks with complex dependency structures, making joint offloading and resource allocation highly challenging. Moreover, distributed MEC deployment raises privacy concerns when collaboratively training learning-based policies. In this paper, we propose a Federated Meta Deep Reinforcement Learning framework with GAT-Seq2Seq modeling (FedMAGS) for heterogeneous task offloading in VEC systems. The proposed approach leverages Graph Attention Networks to capture DAG dependencies, a Seq2Seq-based policy to generate structured offloading decisions, and federated meta-learning to enable fast adaptation across distributed MEC servers without sharing raw data. Extensive simulations demonstrate that FedMAGS achieves faster convergence, lower execution delay, and better scalability compared with state-of-the-art baselines. In addition, the federated design preserves data privacy while reducing communication overhead, making the framework well suited for dynamic and large-scale VEC environments.
Authors: Ken Ming Lee, Paul Barde, Maxime C. Cohen, Derek Nowrouzezahrai
Abstract: Understanding customer movement within retail spaces is essential for optimizing store layouts. Real-world trajectory data can provide highly accurate insights, but collecting it is costly and often infeasible for many retailers. Heuristics such as Travelling Salesman Problem (TSP) and Probabilistic Nearest Neighbours (PNN) are commonly used as inexpensive approximations, but actual customer trajectories deviate by an average of 28% from shortest paths, highlighting a tradeoff between accuracy and practicality. We propose an agent-based modelling framework that casts customer trajectory prediction as a maximum entropy reinforcement learning (RL) problem, balancing reward maximization with stochasticity to better reflect customers with bounded rationality. Using real-world trajectory data from a convenience store, we show that RL-generated trajectories align more closely with customer behaviour than TSP and PNN, providing more accurate estimates of impulse purchase rates and shelf traffic densities. Furthermore, only RL-based predictions yield repositioning decisions for impulse products that align with those derived from actual trajectory data, resulting in comparable estimated profit gains. Our work demonstrates that RL provides a practical, behaviourally grounded alternative that bridges the gap between oversimplified heuristics and data-intensive approaches, making accurate layout optimization more accessible. To encourage further research, the source code is available on GitHub.
Authors: Chengpeng Hu, Yingqian Zhang, Hendrik Baier
Abstract: Deep reinforcement learning (DRL) has recently emerged as a promising approach to solve combinatorial optimization problems such as job shop scheduling. However, the policies learned by DRL are typically represented by deep neural networks (DNNs), whose opaque neural architectures and non-interpretable policy decisions can lead to critical trust and usability concerns for human decision makers. In addition, the computational requirements of DNNs can further hinder practical deployment in resource constrained environments. In this work, we propose ProRL, a novel interpretable programmatic reinforcement learning framework that achieves high-performance scheduling with human-readable and editable programmatic policies (i.e., programs). We first introduce a domain-specific language for scheduling (DSL-S) to represent scheduling strategies as structured programs. ProRL then explores the program space defined by DSL-S using local search to identify incomplete programs, which are subsequently completed by learning their parameters via Bayesian optimization. ProRL learns which scheduling heuristic rules to select, and hence, it naturally incorporates existing heuristics already used in industrial scenarios. Experiments on widely used benchmark instances demonstrate the strong performance of ProRL against existing heuristics and DRL baselines. Furthermore, ProRL performs well under strongly constrained computational resources, such as training with only 100 episodes. Our code is available at https://github.com/HcPlu/ProRL.
Authors: Yuxin Wang, Dennis Frauen, Jonas Schweisthal, Maresa Schr\"oder, Emil Javurek, Stefan Feuerriegel
Abstract: Adaptive experimentation enables efficient estimation of causal effects, but existing methods are not designed for survival data with censoring, where event times are only partially observed (e.g., overall survival in cancer trials but with dropout). In this paper, we develop a novel framework for adaptive experimentation to estimate causal effects under right censoring. For this, we derive the semiparametric efficiency bound for the average survival effect curve as a function of the treatment allocation policy and thereby obtain a closed-form efficiency-optimal allocation policy. The policy generalizes classical Neyman allocation to survival settings by prioritizing patient strata where both event and censoring dynamics induce high uncertainty. Building on this, we propose the Adaptive Survival Estimator (ASE), an adaptive framework that learns the allocation policy and estimates the average survival effect curve sequentially. Our framework has three main benefits: (i) it accommodates arbitrary machine learning models for nuisance estimation; (ii) it is guided by a closed-form efficiency-optimal allocation policy; and (iii) it admits strong theoretical guarantees, including asymptotic normality via a martingale central limit theorem. We demonstrate our framework across various numerical experiments to show consistent efficiency gains over uniform randomization and censoring-agnostic baselines.
Authors: Zhangyang Yao, Haiyan Zhao, Haoyu Wang, Tianbo Huang, Lihua Zhang, Xu Han
Abstract: Mixed-precision quantization improves the budget--accuracy trade-off for large language models (LLMs) by allocating more bits to sensitive modules. However, automating this allocation at LLM scale faces a unique combination of constraints: learnable approaches require quantization-aware training, which is infeasible for billion-parameter models; training-free alternatives rely on static proxy metrics that miss cross-module interactions and must be recomputed per target budget; and search-based methods are expensive without guaranteeing exact budget compliance. We propose GAMMA, a quantizer-agnostic framework that learns module-wise precision preferences entirely within a post-training pipeline. GAMMA optimizes a teacher-forced hidden-state reconstruction objective under an augmented Lagrangian constraint, and projects the learned preferences into exact budget-feasible discrete assignments via integer programming. A key property is score reuse: because the learned preferences encode a stable sensitivity ranking rather than budget-specific weights, a single training run serves arbitrary deployment targets by re-solving only the integer program, reducing per-budget adaptation from hours to a few minutes. Across Llama and Qwen models (8B--32B), GAMMA outperforms both fixed-precision baselines (up to +12.99 Avg.) and search-based mixed-precision methods (up to +7.00 Avg.), and can match fixed 3-bit quality at 2.5-bit average precision, enabling deployment at substantially smaller memory footprints.
Authors: Jordan Tschida, Matthew Yohe, Edward Kane, Gavin Jager, Emma J. Reid, Tony G. Allen, Mark Story, Leanne Thompson, Joe Hoskins, Brandon Schreiber, Stan Seiferth, Scott Dolvin, David Cornett
Abstract: Time series classification (TSC) of biological signals has progressed from handcrafted, modality-specific approaches to deep architectures capable of representing the diverse waveform structures of underlying physiological processes (i.e., morphology). This review introduces a unified morphology--modality framework that connects waveform structure to a methodological design, revealing how spikes, bursts, oscillations, slow drift, and hierarchical rhythms inform model design. By analyzing electroencephalography, electromyography, electrocardiography, photoplethysmography, and ocular modalities (electrooculography, pupillometry, eye-tracking), the review demonstrates how morphology determines preprocessing and modeling strategies. Integrating evidence across these biological signals, the framework reveals that morphology, not model class, most strongly determines performance and interpretability. This provides insight into why deep models succeed when their inductive biases align with underlying waveform dynamics. This review also identifies future work including morphological data augmentation and evaluation metrics to improve generalization. Together, these insights position morphology-aware modeling as a unifying principle for developing generalizable, interpretable, and physiologically meaningful TSC models across biological signals.
Authors: Jing Wang, Hongxuan Lu, Jazze Young, Shu Wang, Zhimin Xin
Abstract: Expert specialization in Mixture-of-Experts (MoE) models remains poorly understood, with traditional evaluations conflating architectural load-balancing with functional specialization. We introduce DBES, a comprehensive diagnostic framework combining a multi-domain benchmark with five theoretically grounded metrics: Routing Specialization, Normalized Effective Rank, Domain Isolation, Routing Stiffness Score, and N-gram Expertise measures. Critical findings demonstrate distinct specialization paradigms across models: Qwen-series exhibit modular specialization with high domain isolation, while DeepSeek and GLM employ distributed collaboration. However, we emphasize that specialization is a diagnostic dimension, necessary but not sufficient for downstream performance. Most crucially, interventional evidence validates the actionability of these metrics: by using DBES to identify high-specialization expert paths during domain-specific post-training, we achieved 66% to 94.48% improvement in specialized domains with only 15% of original training resources, demonstrating that these diagnostic tools can be converted into concrete optimization operators. This work provides the first systematic methodology for evaluating expert specialization independently of accuracy metrics, offering crucial insights for the design and post-training optimization of next-generation MoE systems.
Authors: Chengpeng Hu, Yingqian Zhang, Hendrik Baier
Abstract: Programmatic reinforcement learning (PRL) offers an interpretable alternative to deep reinforcement learning by representing policies as human-readable and -editable programs. While gradient-based methods have been developed to optimize continuous relaxations of programs, they face a significant performance drop when converting the continuous relaxations back into discrete programs. Post-hoc discretization can discard optimized branches and parameters in a program, which results in a collapse of policy expressivity and lowered task performance, leading in turn to a need for additional fine-tuning. To overcome these limitations, we propose Differentiable Discrete Programmatic Reinforcement Learning (DiPRL), a method that learns programmatic policies that become nearly discrete during training, avoiding a separate post-hoc fine-tuning stage. We first analyze the inherent risks of performance drop introduced by post-hoc discretization of gradient-based methods. Then, we introduce programmatic architecture entropy regularization, which enables smooth, differentiable training that encourages convergence toward a discrete program. DiPRL maintains the efficiency of gradient-based optimization while mitigating the risks of post-hoc discretization. Our experiments across multiple discrete and continuous RL tasks demonstrate that DiPRL can achieve strong performance via interpretable programmatic policies.
Authors: Ren Kishimoto, Tatsuhiro Shimizu, Kazuki Kawamura, Takanori Muroi, Yusuke Narita, Yuki Sasamoto, Kei Tateno, Takuma Udagawa, Yuta Saito
Abstract: Automated decision-making algorithms drive applications such as recommendation systems and search engines. These algorithms often rely on off-policy contextual bandits or off-policy learning (OPL). Conventionally, OPL selects actions that maximize the expected reward from an existing action set. However, in many real-world scenarios, actions, such as news articles or video content, change continuously, and the action space evolves over time after data collection. We define actions introduced after deploying the logging policy as new actions and focus on OPL with new actions. Existing OPL methods identify optimal actions from the existing set effectively but cannot learn and select new actions because no relevant data are logged. To address this limitation, we propose a new OPL method that leverages action features. We first introduce the Local Combination PseudoInverse (LCPI) estimator for the policy gradient, generalizing the PseudoInverse estimator initially proposed for off-policy evaluation of slate bandits. LCPI controls the trade-off between reward-modeling condition and the condition for data collection regarding the action features, capturing the interaction effects among different dimensions of action features. Furthermore, we propose a generalized algorithm called Policy Optimization for Effective New Actions (PONA), which integrates LCPI, a component specialized for new action selection, with Doubly Robust (DR), which excels at learning within existing actions. We define PONA as a weighted sum of the LCPI and DR estimators, optimizing both the selection of existing and new actions, and allowing the proportion of new action selections to be adjusted by the weight parameter. Through extensive experiments, we demonstrate that PONA efficiently selects new actions while maintaining the overall policy performance as opposed to most existing methods that cannot select new actions.
Authors: Israel Zexer, Omri Azencot
Abstract: Multivariate time-series analysis involves extracting informative representations from sequences of multiple interdependent variables, supporting tasks such as forecasting, imputation, and anomaly detection. In real-world scenarios, these variables are typically collected from a shared context or underlying phenomenon, suggesting the presence of latent dependencies across time and channels that can be leveraged to improve performance. However, recent findings show that channel-independent (CI) models, which assume no inter-variable dependencies, often outperform channel-dependent (CD) models that explicitly model such relationships. This surprising result indicates that current CD models may not fully exploit their potential due to limitations in how dependencies are captured. Recent studies have revisited channel dependence modeling with various approaches; however, these methods often employ indirect modeling strategies, which can lead to meaningful dependencies being overlooked. To address this issue, we introduce XCTFormer, a transformer-based channel-dependent (CD) model that explicitly captures cross-temporal and cross-channel dependencies via an enhanced attention mechanism. The model operates in a token-to-token fashion, modeling pairwise dependencies between every pair of tokens across time and channels. The architecture comprises (i) a data processing module, (ii) a novel Cross-Relational Attention Block (CRAB) that increases capacity and expressiveness, and (iii) an optional Dependency Compression Plugin (DeCoP) that improves scalability. Through extensive experiments on three time-series benchmarks, we show that XCTFormer achieves strong results compared to widely recognized baselines; in particular, it attains state-of-the-art performance on the imputation task, outperforming the second-best method by an average of 20.8% in MSE and 15.3% in MAE.
Authors: Chunlin Tian, Dongqi Cai, Wanru Zhao, Nicholas D. Lane
Abstract: The bottleneck of useful agentic intelligence has shifted from compressing world knowledge into a single model to executing a coordinated system. This position paper argues that personal-agent architecture must move to the edge because the core properties of agentic intelligence tasks, particularly their structural coupling with high-fidelity local context and the need for zero-latency execution loops, do not sit well with cloud-centric designs. We develop this claim through three structural shifts. First, the Prefrontal Turn: the main marginal lever of capability has moved from pre-training scale to framework-level executive control. Such control must remain physically close to the environment of action if the agent is to preserve cognitive alignment. Second, the Data-Geography Paradox, the ``dark matter'' of agentic data (local file hierarchies, real-time sensor streams, and transient OS states) degrades, disappears, or loses meaning once prepared for cloud transmission, thereby cutting the agent off from ground-truth context. Third, the interaction-alignment loop, the only economically and ecologically sustainable source of agentic refinement data is the high-fidelity implicit preference signal produced through real-time local interaction. Third, the interaction-alignment loop, the only economically and ecologically sustainable source of agentic refinement data is the high-fidelity implicit preference signal produced through real-time local interaction. We conclude with falsifiable predictions for the next deployment cycle of personal agents.
Authors: Alexander Modell
Abstract: This paper introduces the Manifold Probe, a supervised method for discovering representation manifolds in superposition. The method generalizes linear regression probes by learning the space of features of a concept that can be linearly predicted from the representations, and then learning the directions used to encode them. We demonstrate the probe on representations of time and space in Llama 2-7b, finding manifolds which linearly represent an interpretable set of features in each case. In the case of time, we show that by steering along the manifold, we can influence the model's completions about the years in which famous songs, movies and books were released, providing evidence that the Manifold Probe can discover manifolds which are causally involved in model behaviour.
Authors: Dexiong Chen, Andrei Manolache, Mathias Niepert, Karsten Borgwardt
Abstract: Classifying protein topology is essential for deciphering biological function, but progress is held back by the lack of large-scale benchmarks that avoid duplicates and by models that do not scale well. We introduce TEDBench, a large-scale, non-redundant benchmark for protein fold classification constructed from the Encyclopedia of Domains (TED) and Foldseek-clustered AlphaFold structures. We show that on TEDBench, current protein representation learning methods either require very large models or fail to deliver strong performance. To address this challenge, we propose Masked Invariant Autoencoders (MiAE), a self-supervised framework for protein structure representation learning. MiAE uses an extremely high masking ratio of up to 90% with an $\mathrm{SE(3)}$-invariant encoder and a lightweight decoder that reconstructs backbone coordinates from the latent representation and mask tokens. MiAE scales well and outperforms supervised counterparts and state-of-the-art baselines on TEDBench, establishing a strong recipe for protein fold classification. To test transfer beyond AlphaFold structures, we further benchmark on a curated dataset from experimental structures of CATH v4.4. TEDBench is available at https://github.com/BorgwardtLab/TEDBench.
Authors: Boning Zhang, Matteo Zecchin, Mingzhao Guo, Dongzhu Liu, Osvaldo Simeone
Abstract: Federated Bayesian neural networks require fixing a prior on the model parameters together with a likelihood. Eliciting meaningful priors on the weight space of modern overparameterized models is notoriously difficult, and misspecification of either component can severely degrade accuracy and calibration. Motivated by the rapid progress of predictive models such as large language models, the martingale posterior, also known as predictive Bayes, replaces the prior--likelihood pair with a predictive distribution and recovers parameter uncertainty by repeatedly drawing predictive samples and refitting the model. A direct federated implementation, however, would require clients to share the local data sets. This letter proposes {federated martingale posterior} (FMP) sampling, a one-shot embarrassingly parallel protocol in which each client uploads a small set of trainable data embeddings and the server runs the predictive sampler centrally. Experiments on MNIST, CIFAR-10, and CIFAR-100 show that FMP closely matches the centralized counterpart and significantly improves calibration over consensus-style baselines.
Authors: Ariane Delrocq, Wu S. Zihan, Guillaume Bellec, Wulfram Gerstner
Abstract: The brain learns abstract representations of high-dimensional sensory input, but the plasticity rules that enable such learning are unknown. We study biologically plausible algorithms on the Random Hierarchy Model (RHM), an artificial dataset designed to investigate how deep neural networks learn the intrinsic hierarchical structure of high-dimensional data. We focus on two types of local learning rules that avoid both a long convergence time and the use of a symmetric error network. The first type uses direct feedback signals to approximate error propagation from the output layer. The second type uses layerwise self-supervised contrastive or non-contrastive loss functions that do not explicitly approximate errors at the output layer. We show that all rules of the first type fail to solve the tasks of the RHM and trace this failure back to input-specific nonlinearities (`masking') that are implemented in full backpropagation and are essential for learning complex tasks. However, algorithms of the second type are able to learn the hierarchical hidden structure of the RHM tasks and are as data-efficient as supervised backpropagation training, while being compatible with known rules of synaptic plasticity in cortex.
Authors: Xichen Yan, Zelin Zang, Changxi Chi, Jingbo Zhou, Chang Yu, Jinlin Wu, Shenghui Cheng, Fuji Yang, Jiebo Luo, Zhen Lei, Stan Z. Li
Abstract: A critical challenge in single-cell RNA sequencing (scRNA-seq) integration is resolving the tension between eliminating batch effects and maintaining biological fidelity. While recent evidence indicates that batch effects manifest heterogeneously across genes, most existing methods process the transcriptome uniformly, frequently resulting in over-correction and loss of subtle biological signals. To address this, we present scHelix, a dataset-adaptive framework that fundamentally changes how features are processed by explicitly partitioning genes into domain-invariant Anchors and domain-sensitive Variants at the input level. scHelix utilizes a dual-stream sparse diffusion encoder equipped with stop-gradient graph caching to efficiently learn multi-scale structural representations. The core of our approach is a novel asymmetric Align-Refine-Fuse protocol: the unstable Variant stream is first aligned to the robust topology of the Anchor stream, followed by a conservative refinement phase where the Anchor stream absorbs denoised details via bounded residual gating. This divide-and-conquer architecture prevents shortcut learning and ensures robust batch removal without compromising the integrity of biological clusters. Extensive benchmarking demonstrates that scHelix outperforms state-of-the-art methods.
Authors: Yuhan Wang, Haopeng Zhang, Yibo Ding, Jiaqi Yu, Xinyu Zhao, Yuhang Liu, Ziwei Zhang, Xiao Wang, Ruijie Wang
Abstract: Pre-training on text-attributed graphs (TAGs) is central to building transferable graph foundation models, where LLM-as-Aligner methods align graph and text representations through the semantic knowledge of large language models. However, these methods usually assume that node texts provide sufficient and reliable supervision, an assumption often violated in real-world sparse TAGs. When textual anchors are missing, noisy, or uneven across domains, graph structures must be aligned with weak semantic evidence, leading to unreliable structure-semantics correspondence and sparsity-induced transfer bias. This paper presents S2Aligner, a sparsity-aware and structure-enhanced LLM-as-Aligner framework for graph-text pre-training on sparse TAGs. The key idea is to decouple semantic alignment from structural modeling, allowing topology-aware signals to enhance alignment without contaminating the shared semantic space. Specifically, S2Aligner decomposes graph-text representations into semantic and structural components, uses structure-oriented reconstruction with consistency control to inject reliable topology cues into text representations, and suppresses inconsistent structural signals under textual sparsity. Moreover, S2Aligner introduces sparsity-aware cross-domain risk balancing, which calibrates domain risks through a global-domain density ratio and downweights unreliable sparse samples via graph reliability estimation. Theoretical analysis shows that this objective reduces cross-domain generalization gaps by controlling domain risk discrepancy. Extensive experiments across diverse graph domains, sparsity levels, and downstream tasks demonstrate that S2Aligner consistently outperforms existing baselines.
Authors: Mingfei Sun
Abstract: Natural policy gradients improve optimization by accounting for the geometry of distribution space, but their practical use is limited by the cost of estimating and inverting the Fisher matrix. We present Randomized Advantage Transformation (RAT), a method for estimating Tikhonov-regularized natural policy gradients via direct backpropagation. By applying the Woodbury formula, we reformulate the regularized natural policy gradients as vanilla policy gradients with a transformed advantage. RAT computes this transformation efficiently via randomized block Kaczmarz iterations on on-policy mini-batches, avoiding explicit Fisher construction, conjugate-gradient solvers, and architecture-specific approximations. We provide convergence guarantees for RAT and demonstrate empirically that it matches or exceeds established natural-gradient methods across continuous and visual control benchmarks, while remaining simple to implement and compatible with various architectures.
Authors: Peilin Wu, Xinlu Zhang, Kun Wan, Wentian Zhao, Gang Wu, Xinya Du, Zhiyu Chen
Abstract: Rubric-based reward shaping is an effective method for fine-tuning LLMs via RL, where structured rubrics decompose standard outcome rewards into multiple dimensions to provide richer reward signals. Recent works make the rubrics adaptive based on local signals such as the rollouts from the current step or pairwise comparisons. However, these methods discard the diagnostics produced during evaluation after immediate use and prevent the long-term accumulation and strategic reuse of evaluation knowledge. This forces the system to re-derive evaluation principles from scratch, limits its ability to detect recurring suboptimal behaviors, and forfeits the curriculum-like progression that a persistent training history would naturally support. To address these limitations, we introduce AMARIS, which grounds rubric modifications in long-term training history. At each training step, AMARIS analyzes individual rollouts, aggregates findings into step-level summaries, retrieves relevant historical context from a persistent evaluation memory through both static (recent steps) and dynamic (semantically matched) retrieval, and updates rubrics based on these accumulated analyses. This procedure runs asynchronously alongside the normal RL loop with minimal overhead. Experiments across both closed and open-ended domains show that AMARIS consistently outperforms the baselines. Ablation studies show that static and dynamic memory retrieval contributes to the performance gain and their combination provides the strongest results with moderate retrieval budgets sufficient to provide most of the gain, and that the entire pipeline adds only ~5\% time overhead through asynchronous execution. These results show that persistent evaluation memory can transform rubric-based reward shaping from a stateless, per-step heuristic into an evidence-driven loop for RL training.
Authors: Shaojie Li, Yunbei Xu
Abstract: We address the fundamental question of why deep neural networks generalize by establishing a pointwise generalization theory for fully connected networks. This framework resolves long-standing barriers to characterizing the rich nonlinear feature-learning regime and builds a new statistical foundation for representation learning. For each trained model, we characterize the hypothesis via a pointwise Riemannian Dimension, derived from the eigenvalues of the learned feature representations across layers. This establishes a principled framework for deriving hypothesis-dependent, representation-aware generalization bounds. These bounds offer a systematic upgrade over approaches based on model size, products of norms, and infinite-width linearizations, yielding guarantees that are orders of magnitude tighter in both theory and experiment. Analytically, we identify the structural properties and mathematical principles that explain the tractability of deep networks. Empirically, the pointwise Riemannian Dimension exhibits substantial feature compression, decreases with increased over-parameterization, and captures the implicit bias of optimizers. Taken together, our results indicate that deep networks are mathematically tractable in practical regimes and that their generalization is sharply explained by pointwise, feature-spectrum-aware complexity.
Authors: Jiaxiao Xu, Changhong Mou, Yeyu Zhang, Fengxiang He
Abstract: Neural operators approximate PDE solution maps, but they need not respect the symmetries of the governing equation. In out-of-distribution (OOD) regimes, a standard neural operator must often learn coordinate alignment and physical evolution within a single map, which can hurt generalization. We use known continuous symmetries of evolution equations on periodic domains to separate these two roles. We propose the Physics-Aligned Canonical Equivariant Fourier Neural Operator (PACE-FNO), which estimates the input frame with a Lie-algebra coordinate estimator, maps the field to a reference frame, applies a standard Fourier Neural Operator (FNO), and restores the prediction to the target frame. We train alignment and operator prediction jointly using bounded symmetry perturbations, with an optional low-dimensional refinement step that updates the estimated frame at inference. Equivariance is enforced by the input and output transformations, while the FNO architecture remains unchanged. Across 1-D and 2-D Burgers, shallow-water, and Navier-Stokes equations on periodic domains, PACE-FNO matches the in-distribution (ID) accuracy of standard neural operators and reduces out-of-distribution (OOD) relative error by up to 12x over FNO with symmetry augmentation (FNO+Aug) under translations and Galilean shifts, with smaller gains for coupled rotation-translation shifts. Ablations show that aligning the input and restoring the output frame account for most OOD gains; inference-time refinement provides a smaller correction.
Authors: Sachin Garg, Micha{\l} Derezi\'nski
Abstract: Accelerating stochastic gradient methods with classical momentum schemes, such as Polyak's heavy ball, has proven highly successful in training large-scale machine learning models, particularly when combined with the hardware acceleration of large mini-batch computations. Yet, the effect of classical momentum on stochastic mini-batch optimization has been poorly understood theoretically, with prior works requiring strong noise assumptions and extremely large mini-batches. In this work, we develop a general theory of stochastic momentum acceleration for optimizing over quadratics in the interpolation regime, a popular abstraction for studying deep learning dynamics which also includes classical methods such as randomized Kaczmarz and coordinate descent. Our framework encompasses both heavy ball and Nesterov-style momentum, allows for arbitrary mini-batch sizes, and makes minimal assumptions on the stochastic noise. In particular, we show that acceleration from classical momentum is directly proportional to the gradient mini-batch size (up to a natural saturation point), thereby enabling perfect parallelization of mini-batch computations. Our theory also provides a simple choice for the momentum parameter, which is shown to be effective empirically.
Authors: Adam Bos\'ak, Andrii Kliachkin, Jana Lep\v{s}ov\'a, Gilles Bareilles, Jakub Mare\v{c}ek
Abstract: Constrained machine learning enables fairness-aware training, physics-informed neural networks, and integration of symbolic domain knowledge into statistical models. Despite its practical importance, no general method exists for the non-convex, non-smooth, stochastic setting that arises naturally in deep learning. We propose the Stochastic Penalty-Barrier Method (SPBM), which extends classical penalty and barrier methods to this setting via exponential dual averaging, a stabilized penalty schedule, and the Moreau envelope to handle non-smoothness. Experiments across multiple settings show that SPBM matches or outperforms existing constrained optimization baselines while incurring only linear runtime overhead compared to unconstrained Adam for up to 10,000 constraints.
Authors: Micha{\l} Brzozowski, Neo Christopher Chung
Abstract: Sparse autoencoders (SAEs) are one of the main methods to interpret the inner workings of deep neural networks (DNNs), decomposing activations into higher-dimensional features. However, they exhibit critical shortcomings where a large fraction of features are never activated and are unstable. Despite variants of SAEs that attempt to mitigate these issues, they require additional data, resampling, or training. We propose the \textbf{aligned training}, a parameter-free reparameterization of SAEs that simultaneously improves reconstruction quality, eliminates dead features, and significantly enhances stability across training seeds. Our approach is motivated by an overlooked observation that SAE feature quality, measured by the inner product between encoder and decoder directions (which we call the \textbf{alignment score}), follows a bimodal distribution across all modern architectures. The proposed aligned training enforces a geometric constraint between the encoder and decoder such that their inner product equals one for every feature, which removes a source of degeneracy in the SAE training without adding any hyperparameters. Across multiple models, dictionary sizes, and sparsity levels, the aligned training shows Pareto improvements on the SAEBench benchmarks. Beyond improving dead features, stability and reconstruction, our method readily integrates with techniques in mechanical interpretability such as Top/BatchTop-K architectures and p-Annealing. Overall, the aligned training substantially improves feature quality and stability of SAE without computational complexity or cost.
Authors: Zhangyang Wang, Peihao Wang, Kai Wang
Abstract: Neural network checkpoints have quietly become a large-scale data resource: millions of trained weight vectors now exist, each encoding task-, domain-, and architecture-specific knowledge. This position paper argues that model checkpoints should be treated as a first-class data modality, and that generative modeling in weight space should be standardized as a core machine learning primitive. Recent advances demonstrate that neural weights can be synthesized on demand, often matching fine-tuning performance while reducing adaptation cost by orders of magnitude. We contend that these results reflect an underlying structural fact: high-performing models occupy low-dimensional, highly structured regions of weight space shaped by symmetry, flatness, modularity, and shared subspaces. Building on this view, we organize existing methods into a five-stage pipeline, survey applications where the approach is already practical, and clarify current limits: adapter-scale and conditional generation are advancing rapidly, while unrestricted frontier-scale checkpoint synthesis remains open. Our goal is to shift the community's default mindset from optimizing models per task to sampling models from learned weight distributions, accelerating toward an era in which AI systems routinely improve or create other AI systems.
Authors: Aditya Tanna, Mitul Solanki, Mohamed Bouadi, Nassim Bouarour, Pratinav Seth, Vinay Kumar Sankarapu
Abstract: Credit default prediction is a tabular learning problem with severe class imbalance, heterogeneous features, and tight latency budgets. Tabular Foundation Models (TFMs) approach this problem through in-context learning, which makes their predictions sensitive to how the context window is built. We benchmark four classical models and five TFMs on the Home Credit and Lending Club datasets, varying the context-construction strategy (seven options) and the context size (1K to 50K). On both datasets, the choice of context strategy explains more variance in AUC-ROC than the choice of TFM family: balanced and hybrid sampling add 3 to 4 AUC points over uniform sampling, and the gap exceeds the spread between TFMs. With a balanced context of 5K to 10K examples, the strongest TFMs reach the AUC of classical baselines trained on the full data, while also recovering meaningful default-class recall that default-threshold GBDTs do not. We frame this as evidence that context construction, rather than architecture choice, is the primary deployment lever for TFMs in imbalanced credit-risk settings.
Authors: Xingtai Lv, Li Sheng, Kaiyan Zhang, Yichen You, Siyan Gao, Xueheng Luo, Yuxin Zuo, Yuchen Fan, Junlin Yang, Ganqu Cui, Bingning Wang, Fan Yang, Youbang Sun, Ning Ding, Bowen Zhou
Abstract: Mixture-of-Experts (MoE) scales language models efficiently through sparse expert activation, and its dynamic variant further reduces computation by adjusting the activated experts in an input-dependent manner. Existing dynamic MoE methods usually rely on pre-training from scratch or task-specific adaptation, leaving the practical conversion of fully trained MoE underexplored. Enabling such adaptation would directly alleviate the inference costs by allowing easy tokens to bypass unnecessary expert during serving. This paper introduces Zero-Expert Self-Distillation Adaptation (ZEDA), a low-cost framework that transforms post-trained static MoE models into efficient dynamic ones. To stabilize this architectural conversion, ZEDA injects parameter-free zero-output experts into each MoE layer and adapts the augmented model through two-stage self-distillation, utilizing the original MoE as a frozen teacher and applying a group-level balancing loss. On Qwen3-30B-A3B and GLM-4.7-Flash across 11 benchmarks spanning math, code, and instruction following, ZEDA eliminates over 50% of expert FLOPs at marginal accuracy loss. It outperforms the strongest dynamic MoE baseline by 6.1 and 4.0 points on the two models, and delivers ~1.20$\times$ end-to-end inference speedup.
Authors: Maja Pavlovic, Silviu Paun, Massimo Poesio
Abstract: Central to human-aligned AI is understanding the benefits of human-elicited labels over synthetic alternatives. While human soft-labels improve calibration by capturing uncertainty, prior studies conflate these benefits with the implicit correction of mislabeled data (mode shifts), obscuring true effects of soft-labels. We present a controlled audit of soft-label learning across MNIST and a synthetic variant, re-annotating subsets to extract human uncertainty. By decoupling soft-label supervision from underlying label mode shifts, we show that while human soft-labels do provide accuracy gains, their larger value lies in acting as a regularizer that improves model calibration on difficult samples and promotes stable convergence across training runs. Dataset cartography reveals models trained on human soft-labels mirror human uncertainty, whereas those trained on synthetic labels fail to align with humans. Broadly, this work provides a diagnostic testbed for human-AI uncertainty alignment.
Authors: Aditya Tanna, Nassim Bouarour, Mohamed Bouadi, Vinay kumar Sankarapu, Pratinav Seth
Abstract: A fraud scorer needs to answer in under 2 ms. The best tabular foundation models (TFMs) take 151-1,275 ms on GPU. We close this gap by distilling the TFM offline into an XGBoost or CatBoost student that runs natively on CPU. The central obstacle is specific to in-context learning (ICL) teachers: they leak labels when scoring their own training set, so the soft targets collapse to near-one-hot vectors with no inter-class structure left to distill. Stratified out-of-fold (OOF) teacher labeling prevents this. Across 153 classification datasets drawn from TALENT, OpenML-CC18, TabZilla, and TabArena, distilling TabICLv2 into XGBoost gives 0.882 macro-mean AUC (96.5% of teacher AUC) at 1.9 ms on CPU, a 38x to 860x speedup across teacher-student pairs with a statistically significant edge over a tuned CatBoost baseline (Wilcoxon p = 0.0008; 51% win rate). Four further findings: teacher rank transfers exactly to student rank; gains concentrate on low-dimensional data (< 21 features: +0.011 over CatBoost vs. >21 features: +0.001); multi-teacher averaging helps MLP students (+0.006, p = 0.003) but adds less than 0.001 for tree students; and on high-dimensional tasks where the teacher itself trails CatBoost, distillation makes things worse rather than better. The full pipeline is open-sourced as part of the TabTune library.
Authors: Luis Balderas, Jos\'e Alberto Rodr\'iguez, Miguel Lastra, Antonio Arauzo-Azofra, Jos\'e M. Ben\'itez
Abstract: Time Series Foundation Models (TSFMs) have demonstrated notable success in general-purpose forecasting tasks; however, their adaptation to specialized classification problems remains constrained by the computational bottleneck of standard attention and the systematic omission of classical statistical knowledge. This technical report introduces KairosHope, a next-generation TSFM designed to reconcile massive generalization with analytical precision in classification tasks. The core of the proposal is the HOPE block, an architecture that replaces quadratic attention with a dual-memory system: Titans modules for dynamic short-term retention and a Continuum Memory System (CMS) for the abstraction of long-term historical context. To enrich the inductive bias, a Hybrid Decision Head is introduced, which fuses deep latent representations with deterministic statistical features extracted via tsfeatures package. KairosHope undergoes self-supervised pre-training on the massive Monash archive, combining Masked Time Series Modeling (MTSM) and contrastive learning (InfoNCE). Its subsequent adaptation to the UCR benchmark datasets is conducted through a rigorous Linear Probing and Full Fine-Tuning (LP-FT) protocol to prevent catastrophic forgetting. Empirical results demonstrate superior performance in domains characterized by strict temporal causality such as HAR or Sensor data. Consequently, KairosHope establishes a robust and efficient framework for the adaptation of foundation models to time series analysis.
Authors: Rita Adhikari, Shiwei Zeng
Abstract: Noise-tolerant PAC learning of linear models has been of central interests in machine learning community since the last century. In recent years, many computationally-efficient algorithms have been proposed for the problem of learning linear threshold functions under multiple noise models. Yet, when the problem is considered under multiclass learning settings, i.e. when the number of classes $k$ is at least $3$, it is unknown whether there exist computationally-efficient PAC learning algorithms when the data sets are maliciously corrupted. In this paper, we consider that the marginal distribution is a mixture of bounded variance distributions and the data sets satisfy a margin condition at the same time. We show that there exists a computationally-efficient algorithm that PAC learns multiclass linear classifiers $\{h_w:x\mapsto \arg\max_{y\in[k]}w_y\cdot x, x\in \mathbb{R}^d, w\in\mathbb{R}^{kd}\}$ using at most $O(k^2\cdot (d\log d+\log k))$ samples even under a constant rate of nasty noise. Our algorithm consists of two main ingredients: a cluster-based pruning scheme and a standard multiclass hinge loss minimization program. Even in the special case of binary setting, i.e. $k=2$, our result is strictly stronger than all prior works.
Authors: Mohamed elShehaby, Ashraf Matrawy
Abstract: Gradient-based adversarial attacks subtly manipulate inputs of Machine Learning (ML) models to induce incorrect predictions. This paper investigates whether careful architectural choices alone can yield an inherently robust Deep Neural Network (DNN)-based Network Intrusion Detection Systems (NIDS), without any additional explicit defenses. Through thousands of experiments, around 2200, varying network depth, feature dimensionality, activation functions, and dropout across FGSM, PGD, and BIM attacks, we show that shallower networks, reduced feature sets, and ReLU activation consistently and jointly reduce adversarial vulnerability. Moreover, a simple model following this recipe outperforms deeper, fully-featured adversarially trained models, while maintaining near-perfect clean-traffic detection and lower training times. Nevertheless, while less is more, the selection of the right less is what truly matters.
Authors: Qisai Liu, Zhanhong Jiang, Joshua Russell Waite, Aditya Balu, Cody Fleming, Soumik Sarkar
Abstract: Offline reinforcement learning struggles with distributional shift and constrained performance due to static dataset limitations, while online RL demands prohibitive environment interactions. The recent advent of hybrid offline-to-online methods bridges these domains but suffers from distribution drift during transitions and catastrophic forgetting of offline knowledge. We introduce COOPO (Cyclic Offline-Online Policy Optimization), a generalized framework that repeatedly cycles between constrained offline training and online fine-tuning. Each cycle first anchors the policy to the dataset via KL-regularized advantage-weighted offline updates to minimize distributional shift and then fine-tunes it online using any policy optimization for stable exploration. Crucially, periodically returning to offline training eliminates forgetting and drift while maximizing dataset reuse. The cyclic behavior also helps reduce the online environment interactions. Theoretically, COOPO achieves better online sample efficiency, surpassing pure online RL, with guaranteed monotonic improvement under standard coverage assumptions. Extensive D4RL benchmarks demonstrate COOPO reduces online interactions versus state-of-the-art hybrids while improving final returns, maintaining robustness across diverse offline algorithms and online optimizers. This looped synergy sets new efficiency and performance standards for adaptive RL.
Authors: Aditya Tanna, Yash Desai, Pratinav Seth, Mohamed Bouadi, Nassim Bouarour, Vinay Kumar Sankarapu
Abstract: Tabular foundation models (TFMs) now match or beat tuned gradient-boosted trees on a growing fraction of tabular tasks, but no single TFM wins on every dataset. Ensembling is the go to fix here, and it works less well than expected. Six modern TFMs form a near-redundant pool: their mean pairwise Q-statistic is $0.961$, close enough to $1$ that any convex combination is bounded above. We benchmark six ensemble strategies over six TFMs on 153 OpenML classification tasks. The best ensemble, two-level cascade stacking, buys $+0.18\%$ accuracy over the strongest single TFM at $253\times$ the compute. A Friedman and Nemenyi analysis places three ensembles and the best base TFM in a single equivalence group; three other ensembles are significantly \emph{worse} than the best base. Stacking with a logistic-regression meta-learner is the most striking case: competitive accuracy and ROC-AUC, the worst log-loss rank among the ensembles. The meta-learner improves accuracy by sharpening class boundaries, which destroys calibration. We recommend greedy selection as the practical default.
Authors: Aashna P. Shah, Michelle M. Li, Yash Lal, Seffi Cohen, Liat F. Antwarg, Morgan Sanchez, James A. Diao, Chirag J. Patel, Ben Y. Reis, Ran D. Balicer, Noa Dagan, Arjun K. Manrai
Abstract: Blood-based biomarkers underpin clinical diagnosis and management, yet their interpretation relies largely on fixed population reference intervals that ignore stable, intra-patient variability. As such, population-based interpretation can mask meaningful deviation from an individual's baseline, risking delayed disease detection. To remedy this, there have been increasing efforts to personalize blood biomarker interpretation using individual testing histories. However, these methods may overfit to sparse data, inflating false-positive rates and unnecessary follow-up, and can also unwittingly include unrecognized or subclinical disease. Here, we leverage nearly 2 billion longitudinal laboratory measurements from over 1.6 million individuals across North America, the Middle East, and East Asia, to show that while laboratory values are highly individual, purely personalized intervals routinely overfit, classifying up to 68% of measurements as abnormal, without corresponding associations with adverse clinical outcomes. We then introduce NORMA, a conditional transformer-based framework that generates reference intervals by conditioning on both a patient's history and population-level data about "normal" variation. NORMA-derived intervals achieve higher precision for predicting outcomes, including mortality, acute kidney injury, and chronic disease. These findings caution against over-personalization in laboratory medicine and demonstrate that anchoring individual trajectories to population-level priors outperforms either approach alone. To promote transparency, we publicly release the model, code, and an interactive user interface for accessible, individualized laboratory interpretation.
Authors: Aditya Tanna, Nassim Bouarour, Mohamed Bouadi, Vinay Kumar Sankarapu, Pratinav Seth
Abstract: Tabular foundation models (TFMs) achieve strong performance on health datasets, but their inference cost and infrastructure requirements limit practical use. We study whether their predictive behavior can be transferred to lightweight tabular models through knowledge distillation. Since in-context TFMs condition on the training set at inference time, naive distillation can introduce context leakage; we address this with stratified out-of-fold teacher labeling. Across $19$ healthcare datasets, $6$ TFM teachers, $4$ student families, and several multi-teacher ensembles, we find that distilled students retain at least $90\%$ of teacher AUC, outperforming teachers in some cases, while running at least $26\times$ faster on CPU and preserving calibration and fairness critical for health applications. Moreover, multi-teacher averaging does not consistently improve over the best single teacher. Leakage-aware distillation is thus a viable route for bringing TFM-quality predictions into inference-constrained health settings.
Authors: Muhammad Umer, Muhammad Ahmed Mohsin, Ahsan Bilal, Arslan Chaudhry, Andreas Haupt, Sanmi Koyejo, Emily Fox, John M. Cioffi
Abstract: Post-training has split large language model (LLM) alignment into two largely disconnected tracks. Online reinforcement learning (RL) with verifiable rewards drives emergent reasoning on math and code but depends on a programmatic verifier that cannot reach open-ended tasks, while preference optimization handles open-ended generation yet forgoes the continuous exploration that powers online RL. Closing this gap requires a verifier for open-ended quality, but a scalar reward model is the wrong shape for the job. Quality is multi-dimensional, and any scalar score is an incomplete proxy that lets online RL collapse onto whichever axis the score is most sensitive to. We turn instead to the General Preference Model (GPM), which embeds responses into $k$ skew-symmetric subspaces and represents preference as a structured, intransitivity-aware comparison. Building on this, we propose General Preference Reinforcement Learning (GPRL), which carries the $k$-way structure through to the policy update. GPRL computes per-dimension group-relative advantages, normalizes each on its own scale so no axis can dominate, and aggregates them with context-dependent eigenvalues. The same structure powers a closed-loop drift monitor that detects single-axis exploitation and corrects it on the fly by reweighting dimensions and tightening the trust region. Starting from $\texttt{Llama-3-8B-Instruct}$, GPRL reaches a length-controlled win rate of $56.51\%$ on AlpacaEval~2.0 while also outperforming SimPO and SPPO on Arena-Hard, MT-Bench, and WildBench by resisting reward hacking across extended training runs.
Authors: Ran Li, Zeyuan Liu, Yinghao Chen, Bingxiang He, Jiarui Yuan, Zixuan Fu, Weize Chen, Jinyi Hu, Zhiyuan Liu, Maosong Sun
Abstract: Large Language Models (LLMs) have demonstrated strong potential in complex reasoning, yet their progress remains fundamentally constrained by reliance on massive high-quality human-curated tasks and labels, either through supervised fine-tuning (SFT) or reinforcement learning (RL) on reasoning-specific data. This dependence renders supervision-heavy training paradigms increasingly unsustainable, with signs of diminishing scalability already evident in practice. To overcome this limitation, we introduce CPM\"obius (CPMobius), a collaborative Coach-Player paradigm for data-free reinforcement learning of reasoning models. Unlike traditional adversarial self-play, CPM\"obius, inspired by real world human sports collaboration and multi-agent collaboration, treats the Coach and Player as independent but cooperative roles. The Coach proposes instructions targeted at the Player's capability and receives rewards based on changes in the Player's performance, while the Player is rewarded for solving the increasingly instructive tasks generated by the Coach. This cooperative optimization loop is designed to directly enhance the Player's mathematical reasoning ability. Remarkably, CPM\"obius achieves substantial improvement without relying on any external training data, outperforming existing unsupervised approaches. For example, on Qwen2.5-Math-7B-Instruct, our method improves accuracy by an overall average of +4.9 and an out-of-distribution average of +5.4, exceeding RENT by +1.5 on overall accuracy and R-zero by +4.2 on OOD accuracy. Our codebase has been released at https://github.com/thunlp/CPMobius.
Authors: Thomas Flinkow, Ekaterina Komendantskaya, Matteo Capucci, Rosemary Monahan
Abstract: Differentiable Logics are deployed in neuro-symbolic learning tasks as a way of embedding logical constraints in the training objective of neural networks. A differentiable logic consists of a syntax to write logical properties and a semantics to interpret them as real-valued functions to be folded in the loss function. A defining trade-off of the field is that between logical properties of the connectives, and analytic concerns for the semantics, with both aspects being relevant in applications. At one extreme we find fuzzy logics, that have well-established algebraic and proof-theoretic foundations, and at the other ad-hoc differentiable logics like Fischer's DL2, conceived for deep learning applications. However, no satisfactory foundation has emerged yet. We propose a resolution to this long-standing tension via a novel logic, Quantitative Linear Logic (QLL), with foundational ambitions. Our design is driven by naturality -- the idea that, since logical constraints are translated to losses, the semantics of the connectives should be pertinent operations used in ML practice (that is, sum and log-sum-exp) on additive quantities (like logits). We then judge the result on two aspects: logical adequacy -- that they satisfy most of the standard logical laws of Linear Logic; and empirical effectiveness -- test-time performance (as measured by adversarial attacks) is well-correlated to the actual verification of the logical constraints (as measured by off-the-shelf neural network verifiers), which makes QLL stand out among SoTA techniques.
Authors: Ruichen Zheng, Biao Zhang, Michael Birsak, Mikhail Skopenkov, Peter Wonka
Abstract: We introduce Patchwork, a new general-purpose shape representation capable of modeling 2D and 3D geometry with a small number of parameters. Patchwork is grounded in a rigorous mathematical framework, providing provable complexity bounds and the ability to approximate arbitrary shapes with arbitrary precision in any dimension. We propose an efficient gradient-based optimization scheme to fit Patchwork representations to 2D and 3D data, along with a novel regularization loss that progressively prunes redundant elements, yielding high compactness after convergence. Our approach offers fast fitting performance, a fraction of the required parameters compared to existing alternatives, and native support for inside-outside classification, making it a versatile and compact representation for geometric learning and reconstruction tasks, with future potential for 3D generation. Our implementation is available at: https://github.com/Ankbzpx/patchwork-experiment.
Authors: Alankar Atreya, Stefan Sylvius Wanger, Devesh Batra, Robert Hankache, Cristovao Iglesias Jr, Patrick Sinclair, Giulio Pelosio, Michael McMillan, Greig A. Cowan, Raad Khraishi
Abstract: Banks receive millions of reports of fraud, scams, and disputed transactions every year, making it challenging to accurately direct customers to the appropriate specialist teams for assistance. The existing manual process driven by humans is slow and stressful for both customers and staff. To address this, we develop a customer-facing AI powered triaging agent that leverages large language models (LLMs) to conduct multi-turn conversations, ask relevant questions, and classify cases for accurate, policy-guided routing, making it embedded in the customer journey. To evaluate and continuously improve the agent, synthetic digital twins of real customers were simulated, generating realistic, labelled dialogues based on historical data to test a wide range of real-world scenarios. This work details the triage agent's modelling approach, integration with policy, safety guardrails and reasoning frameworks, the use of the synthetic agent for scalable evaluation, and findings on the AI system's accuracy, robustness, and compliance. Results show that the agent successfully improves triaging of historical cases, achieving a 30.6% increase in classification accuracy, with high satisfaction levels reported by our subject-matter experts, highlighting how targeted probing can lead to more effective triage in banking operations at scale.
Authors: Dhriti Krishnan, Jaromir Savelka
Abstract: Predicting the difficulty of multiple-choice questions (MCQs) is important for effective assessment, yet current methods typically assume a unimodal student ability distribution, overlooking the heterogeneous nature of student misconceptions. We propose a persona-driven framework that replaces theoretical ability sampling with data-driven cognitive profiling. Using student interactions from the EEDI dataset, we identify behavioral personas via latent class analysis (LCA), then condition a large language model (LLM) to simulate response distributions for each persona. These signals are aggregated with topic context and fed into a Ridge Regression model to predict the item response theory (IRT) difficulty parameter. With five-fold cross-validation, our method improves over a recent baseline (MSE: 0.367 to 0.274; R2: 0.525 to 0.686). The discovered personas are interpretable and offer insights into why items are difficult, with potential applications to diagnostic assessment design.
Authors: Allen Lu, Isabella Luong, Joyee Chen
Abstract: Single-turn benchmarks such as AnimalHarmBench (AHB) have established important baselines for measuring animal welfare alignment in large language models (LLMs), but they miss a critical failure mode: models that respond appropriately when unpressured may capitulate when follow-up conversational turns introduce economic, social, or authority-based arguments. We introduce MANTA (Multi-turn Assessment for Nonhuman Thinking and Alignment), a dynamic multi-turn evaluation framework built on the Inspect AI platform that stress-tests frontier LLMs across realistic professional and everyday scenarios using adversarially generated follow-up questions. Unlike static benchmarks, MANTA generates pressure turns dynamically from each model's actual responses, producing targeted and realistic adversarial pressure. The framework evaluates models across up to 13 AHB-derived scoring dimensions on a continuous 0-1 scale. We present preliminary results from evaluations of claude-sonnet-4-20250514 and openai/gpt-4o, revealing consistent patterns: Turn 1 welfare framing is reliable but Turn 2 introduces substantial variance; evidence-based capacity attribution is the weakest dimension across all models and runs; and AI governance scenarios elicit significantly stronger welfare reasoning (mean score 0.91) than first-order practical scenarios. We additionally present STYLEJUDGE, a controlled four-judge study demonstrating systematic format bias in LLM-as-judge evaluation, with directly actionable implications for MANTA's scorer design. Code, dataset, and evaluation logs are available at https://github.com/Mycelium-tools/manta.
Authors: Safayat Bin Hakim, Keyan Guo, Wenkai Tan, Alvaro Velasquez, Shouhuai Xu, Houbing Herbert Song
Abstract: LLM-based agents can recover from individual execution errors, yet they repeatedly fail on the same fault when the underlying process knowledge--operator schemas, preconditions, and constraints--remains unrepaired. Existing self-evolving approaches address this gap by updating prompts, memory, or model weights, but none directly repair the symbolic structures that encode how tasks are executed, and few provide the governance guarantees required for safe deployment. We introduce ANNEAL, a neuro-symbolic agent that converts recurring failures into governed symbolic edits of a process knowledge graph without modifying foundation model weights. Its core mechanism, Failure-Driven Knowledge Acquisition (FDKA), localizes the responsible operator, synthesizes a typed patch through constrained LLM generation, and validates the proposal via multi-dimensional scoring, symbolic guardrails, and canary testing before commit. Every accepted edit carries full provenance and deterministic rollback capability. Across four domains and 27 multi-seed runs, ANNEAL is the only evaluated system that commits persistent structural repairs--strong baselines such as ReAct and Reflexion achieve high episodic recovery yet retain 72-100% holdout failure rates on recurring faults, whereas ANNEAL reduces these to 0% in the tested recurring-failure settings. Ablation confirms that removing FDKA eliminates all structural repairs and drops success rate by up to 26.7 percentage points. These results suggest that governed symbolic repair offers a complementary paradigm to weight-level and prompt-level adaptation for persistent fault elimination.
Authors: Xiru Wang, Aiden Li, Hongzhao Tan, Stevie Foglia, Aimee Nelson, Zhen Gao
Abstract: Chronic neck pain is a leading cause of disability worldwide, and current treatment selection remains largely trial and error. We present a machine learning framework that uses electroencephalography to predict treatment efficacy in patients with chronic neck pain, with the goal of supporting individualized therapy and reducing the burden on healthcare systems. The framework centers on a rigorous data preprocessing stage tailored to the characteristics of each EEG recording type. For resting-state EEG, the preprocessing pipeline comprises baseline signal removal, bad channel identification and exclusion, re-referencing, bandpass and notch filtering, Independent Component Analysis, and power spectral density analysis. For motor execution and motor imagery recordings, the same initial steps are applied, after which signals are aligned to trigger events so that event-related desynchronization (ERD) and event-related synchronization (ERS) can be quantified. Synchronously recorded electromyography data are bandpass filtered and smoothed with a moving average, then correlated with the corresponding EEG channels to characterize the EEG EMG relationship during attempted movement. In parallel, we performed an extensive literature review of machine learning models applied to clinical EEG (763 records initially screened, 16 patient and 47 healthy-control studies retained), to inform the post-processing strategy. Through this combined preprocessing and review effort, we aim to develop a robust predictive model that can support personalized healthcare strategies in chronic pain management.
Authors: Yichu Zhou, Mehdi Ben Ayed, Lin Yang, Jiacong He, Andreanne Lemay, Jiaye Wang, Jaewon Yang, Josie Zeng, Dhruvil Deven Badani, Yijie Dylan Wang, Jiajing Xu, Charles Rosenberg
Abstract: Large-scale recommenders encode multi-objective trade-offs by combining multiple predicted outcomes into a single utility score. Although this utility layer can be updated independently of the ranker, weight tuning remains largely manual, globally applied, slow to adapt to changing environments and business needs, and hard to govern as priorities shift. We propose PRL-PUTS, a Production-ready, ranker independent RL framework for Personalized Utility-weight Tuning with Pareto Sweeping. We cast utility tuning as a one-step, value-based RL problem: given request context, an agent selects a utility-weight vector that re-weights ranker predictions to maximize request-level engagement rewards. To visualize performance across the trade-off spectrum and allow decision makers to update the deployed operating policy instantly, we adopt an inference-time Pareto frontier sweeping via a scalarization parameter, producing a family of policies and an empirical Pareto frontier used as a governance artifact for operating policy selection. PRL-PUTS runs in parallel with ranking inference without adding serving latency. We validate PRL-PUTS with offline analysis using unbiased exploration logs and online experiments on Pinterest Homefeed where PRL-PUTS showed significant increases in engagement compared to baseline such as +0.13\% increase in successful session, a core metric for user engagement.
Authors: Yuntong Hu, Tongli Su, Liang Zhao, Bowen Zhu, Hasibul Haque
Abstract: Repository-level coding agents must first localize the files and symbols relevant to a task; failures at this stage can cascade across downstream objectives ranging from patch generation to test writing and codebase question answering. Existing agents navigate repositories primarily through lexical search, often missing structural relations such as imports, call chains, type hierarchies, and code-test links. Graph-based retrieval can recover such dependencies, but existing approaches often require separate graph tools or traversal stages that fragment the agent's interaction loop. We formalize repository context localization as Lexically Anchored Structural Localization, where success depends on turning lexical matches into high-precision structural entry points and exposing the most useful confidence-filtered local neighborhoods within the agent's existing search loop. We introduce LARGER (Lexically Anchored Repository Graph Exploration and Retrieval), a lexically anchored active-set retrieval framework that starts from lexical matches, aligns them to graph anchors, and performs confidence-filtered local expansion within the agent's existing search loop. LARGER integrates directly into existing CLI coding agents without requiring external graph databases or specialized graph interfaces. Across four benchmarks spanning localization, test generation, and codebase understanding, LARGER improves file-level Acc@5 on LocBench by +13.9 points with tuned hyperparameters and still gains +11.8 points with fixed hyperparameters over the strongest baseline, while delivering consistent gains on MuLocBench, SWE-Atlas Test Writing, and SWE-Atlas Codebase QA.
Authors: Vladimir Zaigrajew, Dawid Pludowski, Hubert Baniecki, Przemyslaw Biecek
Abstract: Steering or intervening on model representations at inference time to correct predictions is essential for AI interpretability and safety, yet existing evaluation protocols are limited to ambiguous language modeling tasks. To address this gap, we introduce SwordBench, a benchmark for steering image representations of vision models across multiple backbones and concept removal tasks. Beyond a unified benchmarking suite, we propose new evaluation notions that uncover the second-order effects of orthogonalization among concept activation vectors for pragmatic steering. Specifically, cross-concept robustness measures the stability of concept detection performance across inputs orthogonalized against alternative concepts, and collateral damage quantifies whether steering inadvertently affects model performance on a downstream task for inputs lacking the bias. We find that although a linear support vector machine exhibits superior separability and orthogonality, it fails to achieve zero collateral damage, often trailing sparse autoencoders. In simpler regimes, both standard baselines and optimization-based methods fail to achieve perfect steering. The source code will be made available soon on GitHub.
Authors: Zonglin Yang, Xiaolei Diao, Jishizhan Chen, Xiaozhuang Man, Wei Kong, Gen Wen, Pengfei Cheng, Daqian Shi
Abstract: Early and accurate diagnosis and lesion localization of bone infections are crucial for clinical treatment. PET-CT integrates anatomical information from CT with metabolic information from PET, making it an important imaging modality for diagnosing bone infections. However, accurate lesion segmentation remains challenging due to indistinct lesion boundaries and inconsistencies in annotations generated by different experts or automated systems. In this work, we investigate multimodal segmentation of bone infections under annotation discrepancy. We develop a bimodal end-to-end segmentation framework that integrates PET metabolic signals and CT bone-window anatomy through an early-fusion multimodal representation.To mitigate performance inflation caused by inter-slice correlation in small datasets, this study discards traditional two-dimensional evaluation methods and implements a rigorous patient-level 3D volumetric evaluation and cross-validation. Furthermore, instead of forcing a singular consensus, we propose a decoupled dual-source learning framework where parallel models are trained on independent expert annotations driven by high-sensitivity and high-specificity clinical intents. Experimental results objectively report performance variations at the patient level (Mean + SD and Mean - SD), demonstrating the effectiveness of multimodal PET-CT fusion. The cross-evaluation matrix quantitatively reveals how models successfully internalize distinct expert diagnostic philosophies, providing a robust, diversity-preserving paradigm for clinical AI deployment in bone infection segmentation.
Authors: Marco Graziano
Abstract: Kelvin is a lightweight learned pre-encoder that sits in front of an unmodified libx264 encoder. It applies content-adaptive pixel adjustments, bounded at +/-1/255 per channel, so that the encoder allocates bits where they matter most perceptually, while emitting a standard H.264 bitstream compatible with every existing decoder, player, and CDN. On the seven-sequence 1080p UVG benchmark, Kelvin v1.0 achieves a mean BD-VMAF of -27.62% (7 of 7 wins) and BD-VMAF-NEG of -5.18% (6 of 7 wins) relative to baseline libx264 at preset medium. On the 30-sequence MCL-JCV public set (28 unseen by training), the same checkpoint wins on 28 of 30 clips by BD-VMAF; with the two diagnosable failures removed the mean is -27.70% BD-VMAF and -5.37% BD-VMAF-NEG, consistent with UVG to within one percentage point. A central engineering challenge is the non-differentiability of H.264: we describe a hybrid codec proxy that combines a calibrated differentiable rate estimator (Spearman rho = 0.986 vs. real libx264 bits-per-pixel) with a U-Net distortion proxy trained on real encoder outputs. We publish full per-sequence rate-distortion data, a named failure-mode taxonomy on MCL-JCV (rate-floor violation, distribution shift, metric saturation), a five-baseline sanity panel (hqdn3d, unsharp, -tune psnr, -tune ssim, x265 medium), and honest positioning: x265 medium beats Kelvin on every metric on the same corpus. Kelvin is therefore designed for workloads where remaining on H.264 is a constraint rather than a choice.
Authors: Satvik Tripathi, Don Enwerem, Kevin Song, Kristian Quevada, Jacinta Arnold, Tessa S. Cook
Abstract: Transparent and standardized reporting is essential for reproducible scientific research, yet adherence to reporting guidelines remains inconsistent because of the manual effort required to select and complete checklists. We present CheckSupport, an open-source, locally deployable system that uses large language models to automate the recommendation of reporting checklists and the evidence-grounded completion of checklists for scientific manuscripts. CheckSupport employs a staged prompting strategy that decomposes reporting workflows into constrained inference tasks, prioritizing faithful extraction over generative text synthesis. All inference is performed locally using instruction-tuned models, preserving data privacy and enabling reproducible, auditable workflows. Evaluated on a corpus of peer-reviewed manuscripts, CheckSupport achieved 90% overall accuracy for checklist recommendations and 88% overall accuracy for item-level completion while operating on CPU-only hardware. On average, the wall-clock time per manuscript was 12.5 seconds, including the checklist recommendation and full checklist completion. These results demonstrate that large language models, when applied as structured inference components, can reduce reporting burden and support more transparent and reproducible scientific reporting across disciplines.
Authors: Eduardo Santiago Toledo, Asael Fabian Mart\'inez
Abstract: We investigate whether the training protocol can induce spatial locality in the early layers of a Vision Transformer (ViT) trained from scratch, without large-scale pretraining. Keeping the architecture and optimization procedure fixed, we compare a Baseline protocol with a Modern protocol (AutoAugment/ColorJitter, CutMix, and Label Smoothing) on CIFAR-10, CIFAR-100, and Tiny-ImageNet, characterizing each attention head via Mean Attention Distance (MAD) and normalized entropy. Across all three datasets, the Modern protocol produces more local and more concentrated attention in early layers; on CIFAR-100, the minimum MAD drops from 0.316 (Baseline) to 0.008 (Modern). To identify the source of this effect, we conduct an ablation study on CIFAR-100 by adding or removing each component individually. The results identify CutMix as the determining component within our experiments: all conditions with CutMix exhibit MAD 0.024, while all conditions without CutMix remain at MAD 0.210. AutoAugment and Label Smoothing show no independent effect on locality. Taken together, these findings suggest that the pressure to classify from partial image regions, induced by CutMix, can promote the emergence of local attention in Vision Transformers.
Authors: Jiarui Lv, Feng Zhu, Xiaohong Zhang
Abstract: Inertial measurement units (IMUs) are fundamental sensing components in multi-source integrated navigation systems, and their performance directly determines the accuracy and reliability of solutions. However, the precision of low-cost IMUs is inherently constrained by hardware limitations. Recently, generative artificial intelligence has demonstrated remarkable capability in modeling complex data distributions and reconstructing high-fidelity signals. Motivated by this, we propose a diffusion-based generative learning framework for synthesizing high-fidelity virtual IMU data from low-cost IMU measurements. Specifically, a conditional diffusion model based on a U-Net architecture is constructed, where high-grade IMU measurements are utilized as ground-truth priors and low-cost IMU measurements are employed as conditional inputs. The virtual IMU data generated by the model is used for subsequent navigation and localization tasks. Experimental results demonstrate that the generated virtual IMU data significantly outperform the original low-cost IMU measurements in both positioning and attitude estimation. Furthermore, we transfer the model to airborne mapping experiments, where the proposed method produces thinner and more consistent point clouds. Overall, the proposed framework breaks the performance limits of low-cost IMU and demonstrates the potential of diffusion-based generative learning for virtual high-grade IMU data.
Authors: Yucheng Xing, Pei Liu, Jingying Ma, Ruping Hong, Jiangdong Qiu, Tianyu Liu, Kai He, Ling Huang, Mengling Feng
Abstract: Multiple instance learning (MIL) is the dominant framework for whole-slide image analysis in computational pathology, typically combining a frozen patch encoder, a projection layer, and a slide-level aggregator. While encoders and aggregators have been extensively studied, the projection layer remains a largely morphology-only bottleneck. This limits endpoints such as biomarker status and survival, which are governed by a molecular state that is not fully captured by H&E morphology. We introduce Molecularly Informed Staining Transform (MIST), a plug-in replacement for the MIL projection layer that uses paired spatial transcriptomics only during training to construct virtual molecular stains. MIST clusters gene expression profiles into cross-modal prototypes, anchors them in the frozen foundation model feature space, and uses them to reorganize H&E patch features along molecularly guided axes. It requires no transcriptomics at inference and can be inserted before standard MIL aggregators. We evaluate MIST across 23 downstream tasks and 8 MIL aggregators. MIST improves 240 of 256 configurations over the standard projection layer, with an average gain of +3.5%, observed consistently across endpoint types: +5.2% on survival prediction, +3.3% on tissue subtyping, and +2.6% on biomarker prediction. Ablations confirm that gene-derived prototypes are the primary source of the gains, while spatial, biological, and pathological analyses show that cross-modal prototype affinities capture spatially coherent molecular programs from H&E alone.
Authors: Jiajian Li, Jingyuan Huang, Junru Gong, Qi Wang, Xiaokang Yang, Yunbo Wang
Abstract: We present OrbiSim, a novel robotic simulation paradigm that redefines world models as a fully differentiable physics engine for embodied intelligence. Unlike prior world models that focus on unconstrained imagination in latent or visual domains, OrbiSim establishes a unified, physically-grounded pathway that bridges structured scene assets, neural dynamics, and downstream reinforcement learning. By enabling end-to-end differentiability throughout the entire simulation loop -- spanning from explicit state transitions to visual observation generation -- OrbiSim supports tasks traditionally intractable for classical simulators, such as differentiable contact modeling, gradient-based policy optimization under sparse rewards, and intuitive physical inference. Empirical results demonstrate that OrbiSim significantly outperforms state-of-the-art world models in both predictive fidelity and control performance. Furthermore, its consistent responsiveness to asset configurations and physical parameters suggests its potential as a differentiable tool for enhancing robot simulation and policy training.
Authors: Kenta Vert, Giacomo Meanti, Scott Pesme, Michael Arbel, Julien Mairal
Abstract: Plug-and-Play (PnP) methods have become standard tools for solving imaging inverse problems by replacing the intractable maximum a posteriori (MAP) denoiser with the MMSE one. While this mismatch has been widely treated as unavoidable, recent works have sought to close this gap by targeting the MAP with diffusion-model scores. We show this is problematic in practice: learned scores do not match the true ones, so MAP-targeting iterations converge to cartoon-like images rather than realistic ones, and better results are obtained by stopping short of convergence. We turn this observation into a design principle and introduce ProxiMAP, an iterative MAP approximation whose noise schedule keeps the iterate's residual noise matched to the denoiser's training noise. This keeps the denoiser in-distribution where its score is reliable, and yields implicit early stopping that avoids the failure mode above. ProxiMAP is a modular drop-in replacement for MMSE denoisers in standard PnP algorithms and consistently sharpens reconstructions across deblurring, inpainting, super-resolution, and phase retrieval. Building on the same principle, we propose a hybrid variant that applies ProxiMAP only in the late iterations of PnP, where the denoiser is most reliable -- matching or exceeding the full-replacement variant at a fraction of the cost.
Authors: Barbora Barancikova, Daniil Shmelev, Cristopher Salvi
Abstract: The inversion of diffusion models plays a central role in image editing. Algebraically reversible ODE solvers provide an appealing approach to diffusion inversion for text-guided image editing, by eliminating the inversion error inherent in DDIM-based editing pipelines. However, empirical results indicate that reversibility alone is insufficient. As edits require larger semantic or visual changes, reversible diffusion solvers often exhibit instabilities and suffer sharp drops in output quality. In this paper, we show that the trade-off between exact reversibility and numerical stability manifests empirically as a trade-off between background preservation and prompt alignment in image editing. We then investigate the use of near-reversible Runge-Kutta methods as a more stable alternative to exactly reversible diffusion schemes. When combined with a vector-field smoothing strategy, the resulting approach improves edit fidelity, remains stable under large edits, and largely retains the background-preservation benefits of reversible solvers.
Authors: Turkoglu Mikael, Bary Tim, Thielens Vincent, Dausort Manon, Macq Beno\^it
Abstract: While high-capacity AI models have advanced state-of-the-art performance, their practical deployment is often hindered by high inference costs, environmental impact, and a "one-size-fits-all" approach that ignores varying sample complexity. In clinical settings for instance, the waste of computational resources on routine cases is a significant barrier to sustainable AI. In this paper, we introduce the Conformal Adaptive Decision System (CADS), a sequential multi-model algorithm designed to optimize resource allocation by efficiently sampling models based on the estimated data complexity. CADS leverages conformal prediction to quantify image uncertainty at runtime. CADS provides a mathematically grounded framework for balancing the cost-accuracy dilemma that dynamically routes samples through a model cascade, ranging from lightweight "Scout" models to high-capacity "Oracle" architectures. Validated on two datasets, CADS demonstrated superior efficiency and accuracy at a computational cost that can be up to 12 times lower than heavy-model inference. By accurately routing samples based on real-time complexity, CADS ensures high diagnostic reliability while drastically reducing the economic and environmental footprint of AI.
Authors: Qinwu Xu, Xin Liu, Yifan Jiang, Haoyu Ren
Abstract: Optical character recognition (OCR) and multilingual text understanding remain major failure modes of multimodal large language models (MLLMs), particularly in real-world images containing cluttered layouts, small fonts, blur, occlusion, and complex typography. We present an OCR-aware multilingual multimodal training framework that combines (i) large-scale synthetic OCR-to-translation data generation, (ii) OCR-aware supervised fine-tuning (SFT) with LoRA adaptation, and (iii) structured visual chain-of-thought (CoT) prompting for reasoning under uncertain visual conditions. Using a LLaMA-based multimodal architecture, the proposed framework substantially improves OCR completeness, multilingual translation accuracy, and robustness under degraded visual conditions. Experimental results on multilingual receipts, menus, posters, signs, handwritten text, and document images demonstrate significantly improved visual-text grounding compared with the baseline model. In particular, the proposed OCR-aware post-training framework improves extraction of small, blurred, spatially scattered, and partially occluded text while reducing reliance on language priors under uncertain OCR conditions. Qualitative comparisons with frontier multimodal systems, including GPT-5-class and Gemini-family models, further suggest improved OCR grounding and reduced hallucination under noisy and visually ambiguous OCR scenarios. Overall, the results indicate that data-centric OCR-aware multimodal post-training provides an effective and scalable direction for improving multilingual OCR and OCR-based visual question answering systems.
Authors: Qinwu Xu
Abstract: Hallucination remains a fundamental challenge in vision-language models (VLMs), where autoregressive generation may produce linguistically plausible yet physically inconsistent or visually ungrounded responses due to likelihood maximization under joint probabilistic modeling. We propose a stage-wise preference optimization framework for hallucination reduction through targeted multimodal data construction. Rather than directly optimizing on generic instruction-following data, our approach progressively constructs hallucination-focused preference pairs near known failure boundaries. The framework emphasizes ambiguous spatial orientation, object relationships, OCR uncertainty, and adversarial false-premise training. Hallucinated negatives are generated through minimally perturbed yet visually inconsistent alternatives, enabling Direct Preference Optimization (DPO) to better separate grounded reasoning from plausible hallucination. Experiments on open-source benchmarks and real-world multimodal evaluation scenarios demonstrate improved grounding consistency, reduced hallucination, and more informative grounded responses. Cross-model qualitative evaluation further shows that the proposed multimodal LLM DPO framework produces more visually grounded responses than several frontier proprietary VLMs, such as in ambiguous spatial reasoning and adversarial false-premise settings. The results suggest that hallucination may arise not only from limited model capacity, but also from inherent tendencies of autoregressive probabilistic generation to favor linguistically plausible continuations under weak visual grounding. Future work may explore physical consistency modeling, uncertainty-aware multimodal reasoning, and architectural alternatives beyond standard autoregressive decoding.
Authors: Itamar Levine, Yair Weiss
Abstract: The creativity of diffusion models refers to their ability to generate highly realistic images that are different from their training data. Creativity is somewhat surprising since it is known that if the denoiser used in the diffusion model is the Bayes optimal denoiser for a given training set, then the model will simply copy the training samples. In this paper we present empirical and theoretical results that suggest that creativity in diffusion models is due to an interaction between the denoiser architecture and the target distribution. Theoretically, we give explicit forms for the distribution of generated samples as a function of the target distribution and the denoiser architecture for three different denoiser architectures (linear, polynomial, bottleneck). Empirically, we show that small changes in the popular UNET denoiser architecture leads to very different forms of creativity, and these small changes often yield samples that are highly nonrealistic. Taken together, our results show that diffusion models will only be successful if the inductive bias of the denoiser architecture is in strong alignment with the true target distribution.
Authors: Stelio Bompai, Ioannis Kontopoulos, Giannis Spiliopoulos, Dimitris Zissis, Konstantinos Tserpes
Abstract: This paper addresses the problem of reconstructing missing or dropped frames in top-down drone video of autonomous surface vehicles performing structured maritime manoeuvres. We propose a pipeline that converts raw GPS telemetry and a single reference frame into a trajectory-guided video sequence using a pre-trained image-to-video diffusion model, requiring no domain-specific fine-tuning. GPS coordinates from onboard telemetry logs are projected into image space via an equirectangular mapping, producing per-vessel motion cues that condition the SG-I2V diffusion model. The generated frames are evaluated against ground-truth video using perceptual, temporal and trajectory-based metrics, and benchmarked against optical flow extrapolation and RIFE interpolation baselines. SG-I2V produces the most naturally appearing frames among all methods (BRISQUE 25.52, closest to ground-truth 23.64), the most realistic motion magnitude (temporal smoothness 1.14 vs. ground truth 1.42), and the strongest GPS trajectory adherence (9.31px vs. 28.70px for ground-truth, the latter reflecting approximate temporal alignment between footage and GPS logs rather than generation error), demonstrating that trajectory-guided diffusion synthesis is a viable approach to maritime video reconstruction under challenging low-texture, small-object conditions.
Authors: Ganeshaaraj Gnanavel, Tharindu Fernando, Sridha Sridharan, Clinton Fookes
Abstract: Long-horizon vessel trajectory forecasting under real ocean conditions is critical for collision avoidance, traffic management, and route planning. However, achieving accurate predictions is challenging due to long-range temporal dependencies and dynamic environmental factors such as currents, wind, and waves. To address these issues, we propose a hierarchical two-stage framework that combines a coarse long-term predictor with a grid-aware short-term predictor through a hierarchical fusion mechanism. The short-term branch leverages a Spatio-Temporal Graph Transformer on discretized maritime cells to capture localized dynamics, while the long-term branch encodes overarching navigational intent. An integrated environmental module incorporates oceanographic parameters, including surface currents, wind vectors, and significant wave height, using cross-modal attention and feature-wise modulation for adaptive response to varying sea conditions. Additionally, a learnable Savitzky-Golay smoothing layer enhances temporal coherence in fused trajectories. We evaluate our approach on Australian Craft Tracking System (CTS) data from the North West region, aligned with Copernicus Marine Service products, using a 3-hour input and a 10-hour prediction horizon. Experimental results show that our framework outperforms the state-of-the-art by 25% in Average Displacement Error (ADE) and 17% in Final Displacement Error (FDE). Ablation studies further validate the contribution of each component.
Authors: Idan Daniel Grosbard, Mor Geva, Galit Yovel
Abstract: A central goal in understanding human vision is to uncover the visual features that drive neuronal activity. A growing body of work has used artificial neural networks as encoding models to predict cortical responses to natural images, revealing the visual content that activates category-selective regions. However, existing approaches are largely correlational and treat the encoder as a black box, leaving open which image features drive each voxel's response. We introduce Mechanistically Interpretable Neural Encoding (MINE), a framework that opens this black box by applying mechanistic-interpretability tools to localize the features within natural images that drive millimeter-scale (voxel-level) activity. MINE predicts each voxel's response using language-aligned image representations, and produces semantically interpretable descriptions of the features critical for the voxel's activation. We further generalize these per-image features into per-voxel functional profiles. To validate the per-image descriptions, we show they are sufficient to generate images that elicit voxel responses matching the responses to the original images, more accurately than images generated from random or low-attribution controls. Moreover, counterfactually inserting or removing the predicted features from images shifts activation in the expected direction, providing causal evidence. Counterfactual editing guided by the per-voxel activation profiles produces even stronger activation shifts, indicating that the profiles faithfully capture each voxel's selectivity. Finally, we apply MINE to well-studied category-selective brain regions, showing it recovers their known categorical preferences while revealing fine-grained unique voxel structure within each region. Overall, our results establish mechanistic interpretability as a path to discover and causally validate fine-grained hypotheses about neural function.
Authors: Lorenzo Baldassari, Josselin Garnier, Knut Solna, Maarten V. de Hoop
Abstract: Obtaining stable diffusion-based samplers in high- and infinite-dimensional settings is challenging because errors can accumulate across high-frequency coordinates and make the dynamics unstable under refinement of the finite-dimensional approximation of the underlying function-space problem. Discretization is a typical source of such errors, and preconditioning with a suitable spectral decay is one way to control their accumulation. In this paper, we study this problem for preconditioned annealed Langevin dynamics (ALD) applied to Gaussian mixtures. We first show that Euler-Maruyama (EM) discretization, by treating the stiff linear part of the annealed score with a forward Euler step, imposes a stability constraint coupling the preconditioner with the annealed covariance scale. Together with the conditions ensuring dimension-uniform control of the annealed dynamics, this constraint forces the initial smoothed law to remain uniformly close to the target across dimensions. We then consider an exponential-integrator scheme that integrates the stiff linear part of the annealed score exactly. Under explicit spectral summability conditions coupling the smoothing covariance, the component covariance spectra, and the preconditioner, we prove a dimension-uniform Kullback-Leibler (KL) bound for this scheme. This bound can be made arbitrarily small, uniformly in dimension, by allowing enough time for annealing and then refining the time mesh accordingly. Importantly, these conditions allow regimes in which the KL divergence between the target and the initial smoothed law diverges with dimension, showing that the restrictions imposed by EM are scheme-dependent rather than intrinsic to ALD.
Authors: Shamit Savant
Abstract: Through-plane resolution in clinical MRI is typically much coarser than in-plane resolution, limiting diagnostic utility. This work investigates deep learning approaches to interpolate intermediate MRI slices in prostate imaging, effectively doubling through-plane resolution. I evaluated five architectures (CNN, U-Net, two GAN variants, and DDPM) and discovered that problem formulation has dramatically more impact than architectural complexity. By reformulating the interpolation task to use adjacent slices (i-1, i+1) rather than distant slices (i-2, i+2), I achieved a 58% improvement in SSIM performance across all deterministic architectures. The U-Net model achieved the best results with PSNR of 30.08 dB and SSIM of 0.898, representing a 10.1% improvement over linear interpolation baseline. A DDPM was also evaluated but showed poor reconstruction quality due to fundamental mismatch between stochastic generation and deterministic reconstruction requirements. These findings demonstrate that problem formulation can have 290x more impact than architectural sophistication in medical imaging tasks.
Authors: Gurjeet Jagwani, Stephen Thorp, Sinan Deger, Hiranya Peiris
Abstract: Diffusion and flow-based models are ubiquitously used for generative modelling and density estimation. They admit a deterministic probability flow ordinary differential equation (PF-ODE), analogous to continuous normalizing flows (CNFs), which describes the transport of the probability mass. Obtaining the likelihood from these models is of interest to many workflows, especially Bayesian analysis, and requires solving the trace of the Jacobian to compute the divergence of the learned PF-ODE, which is either $\mathcal{O}(D^2)$ to compute exactly or $\mathcal{O}(D)$ with a noisy estimate. We introduce StAD, a new distillation method to predict and learn the divergence of the PF-ODE using the Langevin-Stein operator without ever computing the Jacobian. We show that our method is competitive with the Hutchinson and Hutch++ on CIFAR-10, ImageNet and other density estimation tasks, consistently improving the variance and speed of the likelihood predictions compared to the Hutchinson. We additionally show our method will generalize to a varied class of generative models, and show that under some regularity conditions these learned vector fields can be made to satisfy the Stein class.
Authors: Amin Karimi Monsefi, Abolfazl Meyarian, Mridul Khurana, Shuheng Wang, Pouyan Navard, Cheng Zhang, Anuj Karpatne, Wei-Lun Chao, Rajiv Ramnath
Abstract: Animals are described as effectively camouflaged when they blend seamlessly with their surrounding, yet no standardized quantitative measure of this seamlessness exists. We address this gap by framing camouflage evaluation as a visual localization problem: a well-camouflaged animal is one that remains difficult to detect even when its category is known. We introduce SeamCam (Seamless Camouflage), a metric that quantifies how detectable an animal is from the available visual evidence. Given an image and a target species, SeamCam generates category-conditioned detection proposals, extracts segmentation masks, and identifies the subset whose collective union yields the highest IoU with the ground-truth mask. The SeamCam score is one minus this maximum recoverable localization signal, where a higher score indicates stronger camouflage (i.e., lower detectability). In a human two-alternative forced-choice study with 94 participants and 2,390 comparisons, SeamCam achieves 78.82% agreement with human camouflage difficulty judgments, outperforming state-of-the-art by about 25%. We then demonstrate SeamCam's utility as a preference signal for Direct Preference Optimization (DPO) to fine-tune a diffusion-based inpainting model for camouflage generation. This offers an affordable training approach with an objective explicitly suited for camouflage generation, unlike typical diffusion models. To support rigorous benchmarking, we further introduce CamFG-1.5k, a curated dataset of 1,521 high-resolution images in which animals are fully visible prior to camouflage generation, enabling unbiased evaluation by controlling for occlusion artifacts present in existing datasets. https://7amin.github.io/SeamCam/
Authors: Luiz G F Carreira, Breno A Mariano, Victor H C de Melo, David Menotti, William Robson Schwartz
Abstract: Video periocular recognition is the task of recognizing an individual's identity based on the region around an individual's eyes. The periocular area is one of the most discriminative regions of the human face, making it suitable for recognition tasks. Its use as a biometric modality has emerged as an alternative, especially in surveillance scenarios where conventional biometric traits such as face or iris recognition become unfeasible due to unconstrained acquisition conditions. This paper proposes an attention-aware approach for video-based periocular recognition in surveillance environments. The framework consists of two main modules: feature embedding and aggregation. The feature embedding module is a deep convolutional neural network that maps periocular data to feature vectors. The aggregation module is an encoder-only transformer that adaptively learns to aggregate frame-level features into a single video representation and a feature vector for the still reference image. Experiments on the publicly available COX Face dataset show the robustness of the proposed method, consistently outperforming naive aggregation schemes. In the best scenario, the approach achieves $99.8\%$ of TPR@$1e^{-1}$ and $96.6\%$ of Rank-5.
Authors: Anchit Jain, Kevin Zhang, Stephen Bates
Abstract: Time-to-event data is widespread across the life sciences and engineering, but it is typically encountered together with censoring, which complicates the application of standard machine learning methods. Deep Cox models have emerged as a popular method for analyzing time-to-event data because they gracefully handle censoring and can be used with unstructured data such as clinical text reports, genomic sequences, and pathology images. However, their predicted survival probabilities are often poorly calibrated, thus limiting their practical utility. In this paper, we propose a novel post hoc calibration method for Deep Cox models that uses isotonic regression to refine predicted survival probabilities without affecting discriminative power. We establish favorable theoretical guarantees, including a double-robustness property and asymptotic calibration. Experiments on synthetic and real-world clinical data demonstrate the empirical effectiveness of our method.
Authors: Kaitlyn Zhou, Federico Bianchi, Martijn Bartelds, Anna Pot, Yongchan Kwon, James Zou
Abstract: Artificially generated speech is increasingly embedded in everyday life. Voice cloning in particular enables applications where identity preservation is important, such as completing a recording, dubbing in a new language, or preserving the voices of individuals with speech loss. However, in our work, we find that despite the term, voice cloning does not faithfully ''clone'' an individual's voice. Instead, we find that widely-used voice cloning models systematically apply style transfer to source voices. As rated by human annotators, cloned voices are perceived as more authoritative, warm, customer-service-like, and human-like compared to their sources. Human annotators also report greater trust in cloned voices than source voices, and a greater willingness to disclose sensitive personal information to them. Our work furthermore shows that voice cloning leads to homogenization of speaker characteristics, as measured by reduced variance in accent, speaking rate, and the audio embedding space. Together, our results highlight a new set of limitations and risks of voice cloning technology and their potential impact on human behavior.
Authors: Kunyang Li, Mubarak Shah, Yuzhang Shang
Abstract: Autoregressive (AR) video diffusion is a powerful paradigm for streaming and interactive video generation. However, its reliance on softmax self-attention leads to quadratic compute complexity in sequence length and memory usage due to key-value caching, which limits its scalability to long video horizons. Existing remedies (e.g., sparse attention and KV-cache compression) reduce per-step cost but still rely on a linearly growing cache or irreversibly discard past context, and thus fail to address linear memory growth and streaming context management. To address this scalability bottleneck, we propose ARL2 (Attend Locally, Remember Linearly), a hybrid attention module that replaces quadratic cross-frame attention with a fixed-size recurrent state. We decompose self-attention into two branches: an intra-frame softmax branch for spatial detail and local dependencies, and an inter-frame gated recurrent linear branch that maintains a fixed-size state for streaming context. Our key insight is that softmax attention captures fine-grained local interactions, while a recurrent state provides controllable long-range memory. This design achieves linear-time scaling with constant memory while improving temporal consistency over the full-softmax model. To prevent noisy intermediate states from corrupting memory, we update the recurrent state only after the denoised pass. To avoid within-frame information asymmetry, all tokens share the same pre-update state rather than sequential updates. To the best of our knowledge, this is the first work to convert a pretrained AR video diffusion model into a hybrid linear attention architecture, through an efficient two-stage training scheme for AR video. With 75% of layers replaced by hybrid linear attention, the model achieves up to 2.26 wall-clock speedup and 54% memory reduction, while maintaining comparable quality with improving temporal consistency.
Authors: Binghang Lu, Zhaopeng Hao, Christian Moya, Guang Lin
Abstract: In this paper, we develop a physics-informed deep operator learning framework for solving multi-term time-fractional mixed diffusion-wave equations (TFMDWEs). We begin by deriving an $L_2$ approximation, which achieves first-order accuracy for the Caputo fractional derivative of order $\beta \in (1,2)$. Building upon this foundation, we propose the fPINN-DeepONet framework, a novel approach that integrates operator learning with the $L_2$ approximation to efficiently solve fractional partial differential equations (FPDEs). Our framework is successfully applied to both fixed and variable fractional-order PDEs, demonstrating the framework's versatility and broad applicability. To evaluate the performance of the proposed model, we conduct a series of numerical experiments that involve dynamically varying fractional orders in both space and time, as well as scenarios with noisy data. These results highlight the accuracy, robustness, and efficiency of the fPINN-DeepONet framework.
Authors: Kaito Iwasaki, Anthony Bloch, Taeyoung Lee, Maani Ghaffari
Abstract: A central obstacle in nonlinear Bayesian filtering is representing the belief distribution. Moment-based filters address this by propagating polynomial moments and reconstructing a density from them. Recent work completes the predict-update loop via the maximum-entropy (MaxEnt) principle, but each step requires the partition function and its gradient, both $n$-dimensional integrals whose cost scales exponentially, restricting the demonstrated MaxEnt moment filtering to $n \le 4$. We avoid the partition function entirely by combining score matching with Stein's identity. In our setting, score matching reduces the density fit to a single linear solve whose coefficients are assembled directly from the propagated moments. The same parameters then drive Stein's identity to close the moment hierarchy during prediction and to recover posterior moments after each Bayesian update, keeping the full predict-update loop free of partition function evaluation. The resulting Score Kalman Filter (SKF) reduces to the classical information-form Kalman filter as a special case and performs every step through linear algebra. On nonlinear coupled-oscillator networks, the SKF runs through $n=20$ and reports lower RMSE than the EKF, UKF, EnKF, and particle-filter baselines on the tested synthetic benchmarks.
Authors: Aaradhya Pandey, Sanjeev Kulkarni
Abstract: Machine learning systems increasingly face requirements to forget not only individual data points, but entire domains of information, such as toxic language, copyrighted corpora, or demographic biases. This raises a fundamental dilemma of statistical-computational tradeoffs: removing all samples from an unwanted domain may be computationally prohibitive, while randomly removing a subset may not provide distribution-level statistical guarantees. We propose a statistical framework for distributional unlearning, in which domains are modeled as probability distributions, and the goal is to remove a carefully chosen subset of samples that reduces the effect of an unwanted distribution while preserving performance on a desired one. We formalize this using a hypothesis test of the edited data with the desired and unwanted domains, leading to an interpretable and robust criterion for selecting samples to remove. Within this statistical framework, we characterize the fundamental region of the allowable edited data distributions and the removal-preservation Pareto frontier for a broad class of distribution families. This includes parametric families such as shifted Gaussians of arbitrary dimension, a one-dimensional location family with log-concave noise, and the one-dimensional Poisson family. It also includes nonparametric families such as the Gaussian white noise model, a canonical model for nonparametric regression. We prove composition rules that describe how distributional unlearning behaves across multimodal unwanted domains, and introduce a central-limit behavior for the removal-preservation baselines when composing a large number of such families. Finally, we provide finite sample guarantees by providing Pareto frontiers for some selection algorithms, and observe an information-computation gap.
Authors: Luis Brito
Abstract: Fully homomorphic encryption (FHE) changes sequence-model design because rotations, encrypted products, ciphertext materialization, multiplicative depth, and bootstrapping pressure can dominate ordinary neural-network costs. This paper presents public-decay homomorphic state space models (HSSMs), recurrent/state-space blocks whose carried state is updated through ciphertext-plaintext public decay while ciphertext-ciphertext multiplication remains on a local write path. The design keeps a fixed encrypted state across the sequence. The evaluated workflow separates client-side tokenization, frozen fastText lookup, projection, clipping, encryption, decryption, and thresholding from server-side encrypted evaluation over bounded projected features. On full Rotten Tomatoes and SST-2 validation splits, the encrypted HSSM path exactly matches plaintext classifications and reaches 0.7505 and 0.7420 accuracy. Against HE-friendly polynomial attention on the same fastText workloads, HSSM matches or exceeds full-sequence task quality while running about 5x faster. Paired L40S operation-level rows show 1.34-1.62x lower latency than cached final-token polynomial attention, 30-258x lower latency than full-sequence polynomial attention, and lower logical encrypted-state footprint. A T = 16/32 comparator with encrypted public-linear input and Q/K/V projections shows projected HSSM succeeding under depth 8/ring 32768, while projected attention succeeds under depth 10/ring 65536. A matched T = 8 OpenFHE/FIDESlib trace finishes at final level 3 and noise-scale degree 2 on both backends. These results make public-decay carry a practical FHE co-design lever for encrypted sequence inference from bounded projected features.
Authors: Narges Babadi, Hadis Karimipour
Abstract: Explanation mechanisms are increasingly used to support transparency and trust in vision-language models (VLMs), particularly in settings where model decisions require human oversight. However, the robustness of these explanations remains insufficiently understood. In this work, we investigate whether explanation heatmaps in VLMs, particularly CLIP-based models, faithfully reflect model reasoning under adversarial conditions. We show that explanation maps can be systematically manipulated while preserving the model's original prediction, revealing a disconnect between predictive behavior and explanation faithfulness. To study this vulnerability, we introduce X-Shift, a novel grey-box attack that perturbs patch-level visual representations to redirect explanation heatmaps toward semantically irrelevant regions without altering the predicted output. Unlike conventional adversarial attacks that aim to induce misclassification, X-Shift specifically targets the integrity of the explanation process itself. The attack operates without modifying model parameters and generalizes across multiple CLIP architectures and explanation methods. We evaluate the proposed approach on ImageNet-1k, MS-COCO, and Flickr30K, demonstrating consistent degradation in explanation alignment under imperceptible perturbations while maintaining prediction stability. Furthermore, standard prediction-oriented adversarial attacks fail to reproduce the same explanation-shifting behavior even under substantially larger perturbation budgets. Our findings highlight a fundamental limitation of current explanation mechanisms in VLMs and raise concerns about their use as reliable indicators of model trustworthiness in high-impact applications.
Authors: Jiaxing Li, Hao Fang, Chi Xu, Miao Zhang, Jiangchuan Liu, William I. Atlas, Katrina M. Connors, Mark A. Spoljaric
Abstract: Rapid biodiversity loss underscore the urgency of effective monitoring, yet manual surveys remain resource-intensive. While on-device AI offers a scalable alternative, its performance in the wild is often challenged by environmental variability. Current methods rely heavily on cloud resource, which requires continuous uploading of field data for model retraining. This approach is unsuitable for remote deployments because it consumes limited power and network connectivity. To address these constraints, this research proposes a shift from model adaptation to knowledge adaptation. We introduce an architecture that separates visual perception from reasoning, combining a visual encoder with a dynamic knowledge base. We uses an explicit knowledge base to replace implicitly encoding expert knowledge into model parameters. This method also supports knowledge sustainability by preserving expert insights in a structured form. Through cross-disciplinary collaboration with biologists and Indigenous communities, this work advances ethical AI co-development, fostering responsible and culturally informed ecosystem management.
Authors: Mufhumudzi Muthivhi, Jiahao Huo, Fredrik Gustafsson, Terence L. van Zyl
Abstract: Camera traps have become a common tool for wildlife monitoring efforts in ecological research and biodiversity conservation. Wildlife classification models have benefited from the increase in wildlife visual data. These models reach high levels of accuracy on curated, high-quality datasets. However, their performance remains sensitive to real-world environmental constraints. They often produce inconsistent predictions when performing inference on temporally coherent sequences. The predicted label for a single individual shifts rapidly between frames. This study exploits the temporal nature of camera-trap data to augment inferred predictions from a wildlife classification model. Specifically, we adopt several standard Multi-Object Tracking (MOT) models to link detections across consecutive frames. The curated trajectories are used to fuse the softmax class probabilities. The fused probability score produces a single consensus class label estimate that overrides misclassifications caused by noise. The analysis of the experimental results shows that our proposed strategy improves over a standalone classifier over all datasets and for each metric. Specifically, the best-performing MOT models gain a weighted F1-Score of 5.1%, 3.1% and 2.0% over the classifier across three MOT datasets.
Authors: Rahul Jaiswal, Per-Arne Andersen, Linga Reddy Cenkeramaddi, Lei Jiao, Ole-Christoffer Granmo
Abstract: The rapid evolution of digital health technologies is redefining healthcare services worldwide. The integration of wireless communication and Internet-enabled medical devices within Internet of Medical Things (IoMT) networks enables continuous, real-time patient monitoring. However, this increased connectivity raises cybersecurity and patient safety risks due to increasingly sophisticated cyberattacks. This paper proposes a novel on-device, interpretable Tsetlin Machine (TM)-based Intrusion Detection System (IDS) to identify various phases of cyberattacks in IoMT environments. The TM is a rule-driven and transparent machine learning (ML) approach that represents attack patterns using propositional logic. Extensive evaluations on the MedSec-25 dataset, encompassing various phases of realistic cyberattacks, show that the proposed model outperforms ML models and state-of-the-art methods, attaining a classification performance of 97.83\%. Moreover, the proposed model offers explicit explanations of its decisions to enhance transparency using feature-level contributions, class-wise vote scores, and clause activation heatmaps. Edge deployment (Raspberry Pi) further supports real-time on-device inference and intrusion detection. The combination of interpretability and high performance makes the proposed model well-suited for IoMT healthcare, where trust, reliability, safety, and timely decision-making are critical.
Authors: Anirudh Satheesh, Michael-Andrei Panaitescu-Liess, Andrew Xu, Georgios Milis, Heng Huang, Zikui Cai, Furong Huang
Abstract: Robust watermarking is typically trained with random post-processing augmentation, but random sampling under-covers the combinatorial space of realistic attack pipelines and rarely encounters the rare compositions that actually break detection. This leads to unstable training and poor sample efficiency. We instead formulate watermark robustness as a min-max problem over a structured space of compositional transformations. We propose Compositional Adversarial Training (CAT), a plug-in framework that learns a sequential differentiable adversary that observes the current watermarked image and selects an attack family at each step to maximally disrupt message recovery. CAT combines a straight-through Gumbel-Softmax attack selection with entropy regularization, allowing the backward pass to be end-to-end differentiable and aggregate gradient information across attack families, yielding faster, smoother convergence without collapsing to a single attack mode. We evaluate CAT on post-generation watermarks VideoSeal 0.0, VideoSeal 1.0, and PixelSeal and in-generation WMAR under both single-step and two-step attack suites, on in-distribution and multiple out-of-distribution image and video benchmarks. CAT consistently outperforms random-augmentation baselines trained with the same augmentation budget, with the largest gains on hard composed attacks and OOD evaluations; improving overall watermark capacity by up to $63.5\%$ in the single-step attack setting and $13.0\%$ in the compositional setting. In the autoregressive setting, CAT improves the TPR@FPR$=1\%$ by $12\%$ on average on difficult geometric transformations. These results show that robust visual watermarking benefits from training against adaptive compositional adversaries rather than independent random corruptions.
Authors: Sayeh Sharify, Mahsa Salmani, Hesham Mostafa
Abstract: Diffusion Transformers (DiTs) achieve state-of-the-art image generation quality but incur substantial memory and computational costs at inference. While aggressive Post-Training Quantization (PTQ) to 4-bit precision offers significant efficiency gains, it typically results in severe quality degradation. Existing approaches, including smoothing-based methods, mixed-precision schemes, rotation techniques, and low-rank residual methods, partially mitigate this issue but still leave a noticeable gap to FP16/BF16 performance. In this work, we introduce DiRotQ, a W4A4 PTQ framework that mitigates this degradation through rotation-aware activation quantization. DiRotQ identifies a low-rank subspace capturing dominant activation variance via Principal Component Analysis (PCA), preserving coefficients in this subspace at higher precision while quantizing the remaining components to 4-bit. Activations are rotated into the PCA basis at inference time using calibration-derived orthogonal transformations, while the inverse rotation is fused into the layer weights offline. Combined with GPTQ-based weight quantization, DiRotQ achieves an FID (lower is better) of 15.9 and PSNR (higher is better) of 19.1 dB on PixArt-{\Sigma} over the MJHQ-30K dataset, outperforming the prior state-of-the-art SVDQuant (FID 18.9, PSNR 17.6) under the same INT W4A4 setting. Beyond standard metrics, we introduce a VLM-as-a-Judge evaluation protocol for diffusion model quantization, the first such evaluation in this setting, providing a more holistic assessment of perceptual quality and prompt alignment under aggressive compression. On the systems side, we implement a Triton-based custom kernel to enable efficient end-to-end inference, reducing memory usage of the 12B FLUX.1-dev model by 2.1x and delivering 2.3x speedup over the BF16 baseline, on a 24 GB RTX 4090 GPU.
Authors: Kasidis Arunruangsirilert, Jiro Katto
Abstract: The deployment of 5G Multicast-Broadcast Services (MBS) is emerging as a critical technology for spectral-efficient UHD content delivery and serving as a promising solution to modernize CATV deployment. However, unlike unicast networks that rely on RLC-AM with HARQ retransmissions, MBS broadcast operates in RLC Unacknowledged Mode (RLC-UM), where the absence of a feedback loop means packet loss is permanent and immediately impacts user QoE. Conventional link adaptation algorithms, designed for unicast, typically aggressively maximize throughput and fail in this risk-intolerant environment, resulting in severe video stalls and rebuffering. To address this, we propose a lightweight Transformer-based framework that predicts the success probability of all 28 MCS indices over an upcoming video segment horizon. Utilizing a unique commercial network dataset with 0.5 ms slot-level granularity, we train our model using a custom Asymmetric Safety Loss function that penalizes channel overestimation to prioritize link stability. Experimental results show that our approach achieves a reliability score of 86.89%, significantly outperforming standard AI baselines optimized for raw throughput (31.65%) while maintaining a safe conservative bias. Furthermore, the model is optimized for real-time applications, demonstrating an inference time of less than 0.07 ms on COTS 5G-era smartphones.
Authors: Yian Wang, Agam Goyal, Yuen Chen, Hari Sundaram
Abstract: LLM agents increasingly rely on persistent state, including transcripts, summaries, retrieved context, and memory buffers, to support long-horizon interaction. This makes safety depend not only on individual model outputs, but also on what an agent stores and later reuses. We study a failure mode we call memory laundering: toxic or adversarial context can be compressed into memory summaries that no longer appear toxic under standard detectors, while still preserving hostile framing or conflict structure that influences future generations. Using paired counterfactual multi-agent rollouts, we show that toxic-origin memory summaries can remain below common toxicity thresholds while nevertheless increasing downstream toxicity relative to matched neutral baselines. To measure this hidden influence, we introduce the sub-threshold propagation gap (SPG), which quantifies downstream behavioral differences conditioned on memory states that a deployed monitor would classify as safe. Our experiments show that toxicity propagates through distinct state channels: raw transcript reuse drives overt downstream toxicity, while compressed memory carries hidden sub-threshold influence. We further find that mitigation depends critically on intervention placement. Sanitizing toxic state before summarization substantially reduces the hidden propagation gap, whereas cleaning only the completed summary can leave laundered influence intact. These results suggest that safety in memory-augmented agents should be treated as a state-control problem over evolving context, with sanitization applied before unsafe information is compressed into persistent memory.
Authors: Debanshu Das, Lavi Nigam, Sunil Kumar Jang Bahadur, Gopala Dhar
Abstract: Recent advancements in generative video models demonstrate high visual fidelity, yet their integration into enterprise environments is restricted by temporal inconsistencies and severe brand misalignment. Current monolithic architectures struggle to enforce rigid brand constraints, frequently hallucinating unapproved visual assets. We introduce Genflow, a Compound AI System designed to enforce brand consistency in generative media production. Our architecture integrates a retrieval-based 'Brand DNA' extraction module to parameterize generation according to established corporate identity guidelines. Furthermore, we implement an Adversarial Multi-Agent Quality Control (QC) loop. Instead of a single-pass generation, this pipeline employs evaluator agents to iteratively critique generated frames against the extracted parameters, prompting generator models to refine outputs until a deterministic consensus is reached. By transitioning to a multi-stage, self-correcting pipeline, Genflow improved the yield of brand-compliant video generations from 42% to 89%, establishing a robust framework for scalable, enterprise-grade generative systems.
Authors: Amy Makawana, Abhijeet Parida, Marius George Linguraru, Julia Ive, Syed Muhammad Anwar
Abstract: Self-supervised learning (SSL) has advanced medical image analysis be enabling learning form large unlabelled data. However, in brain magnetic resonance imaging (MRI), most 3D models remain specialized for either segmentation of classification, limiting their ability to generalize across datasets, imaging protocols,, and downstream tasks. This lack of transferability constrains the clinical utility of 3D MRI models, despite the availability of unlabeled volumetric data. We present Volta-3D, a self-supervised 3D Vision Transformer framework designed to learn transferable volumetric representations. Volta-3D jointly aligns global class-style tokens and local patch tokens within a student-teacher paradigm and enforces fine-grained structural reconstruction. This combined global-local alignment addresses the limited semantic diversity and subtle anatomical characteristics of brain MRI, which challenges existing SSL approaches. We evaluate Volta-3D on multiple out-of-distribution downstream tasks, including hippocampal segmentation and classification of sex and Alzheimer's disease versus healthy controls. Across all tasks, representations learned by Volta-3D outperform randomly initialized baselines, demonstrating improved transferability and robustness under domain shift. Hence jointly enforcing global semantic consistency and local structural learning during pretraining enables broader concept learning from unlabeled brain MRI data. Overall VolTA-3D supports effective multi-task downstream performance with task-specific pertaining, a step towards generalizable and clinically viable 3D models.
Authors: Mengting Pan, Fan Li, Chen Chen, Xiaoyang Wang
Abstract: Graph neural networks (GNNs) have achieved remarkable success in relational learning. However, their vulnerability to graph backdoor attacks (GBAs) poses a significant barrier to broader adoption in high-stakes applications. Despite recent advances in graph backdoor defense (GBD), existing methods primarily focus on subgraph-based GBAs, relying on the assumption that poisoned target nodes are explicitly connected to subgraph triggers. Our empirical results reveal that such structure-centric approaches fail to defend against emerging feature-based GBAs that preserve graph topology. Therefore, in this paper, we study a novel problem of universal graph backdoor defense. First, we investigate the shared effects of both attack types from a feature-based homophily perspective, which characterizes local feature consistency between nodes and their neighborhoods. Thorough theoretical and empirical analyses demonstrate that, regardless of trigger mechanisms, backdoors induced by GBAs exhibit lower feature-based homophily than clean nodes, indicating a discrepancy in local feature similarity. Motivated by this insight, we propose to leverage node-level local feature consistency, modeled by a neighbor-aware reconstruction loss, to distinguish backdoors from clean nodes. Then, a robust training strategy is developed to eliminate trigger effects while reducing noise induced by detection uncertainty. Extensive experiments demonstrate that our framework significantly degrades the attack success rate and maintains competitive clean accuracy under both subgraph-based and feature-based attacks.
Authors: Sharareh Younesian, Wenwen Ouyang, Sina Rafati, Mehdi Rezagholizadeh, Sharon Zhou, Ji Liu, Yue Liu, Yuchen Yang, Hao Li, Ziqiong Liu, Dong Li, Vikram Appia, Zhenyu Gu, Emad Barsoum
Abstract: GPU kernel optimization is increasingly critical for efficient deep learning systems, but writing high-performance kernels still requires substantial low-level expertise. Recent AI coding agents can iteratively read code, invoke compilers and profilers, and refine implementations, yet existing kernel benchmarks evaluate single LLM calls rather than full agent workflows, and none include both kernel-to-kernel optimization and unseen-configuration generalization testing. We present AgentKernelArena, an open-source benchmark for measuring AI coding agents on GPU kernel optimization. The benchmark contains 196 tasks spanning HIP-to-HIP optimization, Triton-to-Triton optimization, and PyTorch-to-HIP translation, and evaluates complete agent workflows in isolated workspaces using gated compilation, correctness, and performance checks, centralized scoring and an unseen-configuration generalization protocol that tests whether optimizations transfer to input configurations the agent never observed. Across production agents including Cursor Agent, Claude Code, and Codex Agent, we find near-perfect compilation and high correctness rates on most task categories, with the strongest configurations achieving mean speedups of up to 6.89x on PyTorch-to-HIP, 6.69x on HIP-to-HIP, and 2.13x on Triton-to-Triton tasks. Our unseen-configuration evaluation shows that HIP-to-HIP and Triton-to-Triton optimizations largely transfer to unseen input shapes, while PyTorch-to-HIP exhibits substantial correctness drops, indicating that agents generating kernels from scratch frequently hardcode shape-specific assumptions. AgentKernelArena is designed as a modular, extensible framework for rigorous evaluation of agentic GPU kernel optimization across agents, tasks, and hardware targets.
Authors: Linus K\"uhne, Felix Schur, Jonas Peters
Abstract: We consider the following two-player game: using observational data, the leader chooses a prediction function for a response variable $Y$ from given covariates. The follower then reacts with an intervention on some covariates in the underlying structural causal model to maximize their own objective. The leader knows the intervention targets, but may have limited knowledge of the follower's objective. We call this setup a prediction-intervention game, a special case of a Stackelberg game. Finding an optimal strategy for the leader is generally difficult. To avoid severe performance loss, the leader may base their prediction on the causal parents of $Y$, or more generally on an invariant subset of covariates. We prove, for two common classes of follower objectives, that predictors based on the stable blanket, a specific invariant subset, are always better or as good as those based on the causal parents. We further upper bound the leader's post-intervention risk by a worst-case risk over allowed interventions and strengthen existing distribution generalization results to analyze this bound: we give sufficient conditions under which stable-blanket predictors are worst-case optimal, and show by examples that these conditions cannot in general be dropped. Finally, we discuss practical strategies for settings with known and unknown graph, and test them on simulated and real-world data.
Authors: Shiwon Kim, Yu Rang Park
Abstract: Multimodal pre-training demonstrates strong generalization performance, but this paradigm is often impractical in domains where paired data are scarce. A promising alternative is post-hoc multimodal alignment, which aligns separately pre-trained unimodal encoders using a limited number of paired examples. However, existing methods focus primarily on aligning global representations, missing patch-token relations. This may hinder transfer to tasks that require fine-grained cross-modal matching beyond coarse sample-level semantics. To address this issue, we propose a post-hoc alignment method that learns token-level cross-modal structure using relative representations. Specifically, we represent images and texts through their token-level similarities to a set of learnable anchors in each modality space, which are trained to induce consistent cross-modal similarity patterns for matched pairs. Despite learning only the anchors without heavy projection layers, our approach consistently outperforms existing methods in zero-shot classification, cross-modal retrieval, and zero-shot segmentation by a substantial margin. This highlights the importance of modeling fine-grained cross-modal structure for effective post-hoc multimodal alignment with limited paired data.
Authors: Xinyi Hong, Shuntuo Xu, Zhou Yu
Abstract: Hypergraphs provide a principled framework for modeling polyadic interactions, with applications in recommendation systems, social networks, and molecular modeling. Hypergraph generation remains challenging because incidence structures are discrete, sparse, and governed by heterogeneous higher-order interactions. Existing generators often rely on implicit latent spaces or continuous incidence decoders, which provide limited mechanistic interpretation of how node-hyperedge incidences arise. To address these limitations, we propose HYVINT, an intensity-driven hypergraph generative framework. Our key innovations are twofold: (i) we develop an intensity-driven incidence formation mechanism for hypergraphs that links latent interaction strength to binary incidence, and (ii) we derive a tractable lower-bound variational estimator for learning latent representations. We provide generation error bounds with asymptotic convergence rates and empirically show that HYVINT achieves strong fidelity while maintaining substantial novelty and diversity on synthetic and real-world hypergraphs.
Authors: Yichang Jian, Boyuan Xiao, Zhenyuan Huang, Yifei Peng, Yao-Xiang Ding
Abstract: Planning from raw visual input remains a significant challenge for current Vision-Language Models (VLMs), when the complexity of input is beyond their one-step perception capability. Motivated by recent advances in Thinking with Images (TWI), a reasonable solution is to decompose the perception process into simpler steps by iteratively acquiring and incorporating local visual evidence. However, even though current VLMs are well-trained in general TWI ability, their perceptual bottleneck in the planning domain remains. To tackle this challenge, we formulate TWI as a tool to gradually build and reflect an accurate internal world model. We find that the resulting training-free planning strategy enables VLMs to solve tasks that are far beyond their initial capabilities, at the cost that too many TWI operations would significantly increase the computational overhead. To further improve efficiency, we propose Pattern Inference, a novel TWI strategy enabling VLMs to actively recognize known visual patterns in the new tasks and directly infer local world model structures. To obtain these patterns, we propose Pattern Induction, an online inductive learning strategy treating visual patterns as composite and reusable experts, which are autonomously discovered and optimized from experience. Experimental evaluations in FrozenLake, Crafter and CubeBench domains show that our approaches achieve a desirable balance between accuracy and efficiency.
Authors: Yaniv Hassidof, Adir Morgan, Yilun Du, Kiril Solovey
Abstract: Compositional diffusion models offer a promising route to long-horizon planning by denoising multiple overlapping sub-trajectories while ensuring that together they constitute a global solution. However, enforcing local behavior over long chains is often insufficient for a coherent global structure to emerge. Recent works tackle this limitation through intrinsic search, which explores multiple paths during the denoising process. While intrinsic search improves global coherence, it comes at the cost of repeated evaluations of an already compute-heavy model. In this work, we argue that extrinsic search, performed outside the denoising process, offers a more effective mode of exploration for long-horizon planning while naturally enabling the use of classical algorithms to solve unseen combinatorial tasks at test time. Our eXtrinsic search-guided Diffuser (XDiffuser) first computes a plan over a state-space graph -- serving as a lightweight local connectivity oracle for the diffusion model. The plan is then used to guide denoising for a single trajectory, effectively offloading the burden of exploration. XDiffuser outperforms diffusion-based baselines on long-horizon tasks, with particularly large gains in the low-quality data regime and on unseen tasks beyond goal-reaching, including multi-agent coordination and TSP-style reasoning. Project website: https://yanivhass.github.io/XDiffuser-site/
Authors: Xin Niu, Enyi Li, Jinchao Liu, Yan Wang, Margarita Osadchy, Yongchun Fang
Abstract: Cross-modality recognition has many important applications in science, law enforcement and entertainment. Popular methods to bridge the modality gap include reducing the distributional differences of representations of different modalities, learning indistinguishable representations or explicit modality transfer. The first two approaches suffer from the loss of discriminant information while removing the modality-specific variations. The third one heavily relies on the successful modality transfer, could face catastrophic performance drop when explicit modality transfers are not possible or difficult. To tackle this problem, we proposed a compact encoder-decoder neural module (cmUNet) to learn modality-agnostic representations while retaining identity-related information. This is achieved through cross-modality transformation and in-modality reconstruction, enhanced by an adversarial/perceptual loss which encourages indistinguishability of representations in the original sample space. For cross-modality matching, we propose MarrNet where cmUNet is connected to a standard feature extraction network which takes as inputs the modality-agnostic representations and outputs similarity scores for matching. We validated our method on five challenging tasks, namely Raman-infrared spectrum matching, cross-modality person re-identification and heterogeneous (photo-sketch, visible-near infrared and visible-thermal) face recognition, where MarrNet showed superior performance compared to state-of-the-art methods. Furthermore, it is observed that a cross-modality matching method could be biased to extract discriminant information from partial or even wrong regions, due to incompetence of dealing with modality gaps, which subsequently leads to poor generalization. We show that robustness to occlusions can be an indicator of whether a method can well bridge the modality gap.
Authors: Fabiola Ricci, Claudia Merger, Sebastian Goldt
Abstract: Neural networks trained with gradient-based methods exhibit a strong simplicity bias: they learn simpler statistical features of their data before moving to more complex features. Previous analyses of this phenomenon have largely focused on settings with (quasi-)isotropic inputs. In this work, we study the simplicity bias from a Fourier perspective, which allows us to include two key features of natural images in the analysis: approximate translation-invariance and power-law spectra. We first show experimentally that simple neural networks trained on image classification tasks first rely on amplitude information -- related to pair-wise correlations between pixels -- before exploiting phase information, which encodes edges and higher-order correlations. In view of this, we introduce a synthetic data model for translation-invariant inputs that allows precise control over amplitudes and phases while remaining tractable. We rigorously establish that for isotropic and high-dimensional inputs, classification based on phase information alone is a genuinely hard task: online stochastic gradient descent (SGD) cannot distinguish the structured inputs from noise within $n \ll N^3$ steps, but needs at least $n \gg N^3 \log^2{N}$ steps. In contrast, we show both experimentally and theoretically that power-law spectra can dramatically accelerate the speed of learning phase information, even if the spectra do not help with classification. Simulations with two-layer networks trained on textures and with deep convolutional networks on ImageNet and CIFAR100 confirm this non-trivial interaction between amplitudes and phases, providing mechanistic insights into how deep neural networks can learn natural image distributions efficiently.
Authors: Jiecheng Lu, Jieqi Di, Runhua Wu, Yuwei Zhou
Abstract: Many decision-facing stochastic systems are observed through aggregate distributions rather than scalar trajectories: queue occupancies, mobility shares, public-health mixtures, generation-source shares, ecological compositions, and air-quality severity profiles all live on the probability simplex and evolve over time. We study causal (online) forecasting for these distribution-valued time series and argue that the transition operator itself should be structured around the simplex. We introduce CAST (Causal Anchored Simplex Transport), a successor-local operator that (i) retrieves empirical successors from causal context, (ii) stabilizes them with a persistence anchor, and (iii) applies a bounded local stochastic transport on ordered supports; every stage preserves the simplex by construction. We identify a structural failure mode, latent transition-kernel aliasing, where similar observed distributions evolve differently under different contextual regimes, and prove that any forecaster depending only on an aliased summary incurs an irreducible weighted Jensen-Shannon excess-risk lower bound, while the CAST hypothesis class contains the regime-aware Bayes successor; for ordered supports an additional Pinsker separation holds whenever the transported successor lies outside the no-transport anchor hull. On eleven public and simulated benchmarks spanning ecology, energy, diet, mortality, employment, air quality, severe weather, mobility, and G/G/1, G_t/G/1 queue occupancy, CAST attains the best average rank on both one-step KL (1.27) and autoregressive rollout JSD (1.91), winning 8/11 sections on each metric against a broad statistical, compositional, recurrent, convolutional, and Transformer baseline set, and top-2 on all 11 sections for offline KL. Component ablations and a controlled synthetic aliasing experiment corroborate the theory.
Authors: Kai Gan, Tong Wei
Abstract: Domain generalization aims to enhance model robustness against unseen domains with embedding distribution shifts. While large-scale vision-language models like CLIP exhibit strong generalization, their direct image-text embedding alignment suffers from inherent information asymmetry: images encode both class semantics and domain-specific styles, whereas text prompts primarily convey basic class cues. This asymmetry hinders generalization to novel domains in realistic scenarios. To address this, we propose Style-Homogenized Embedding alignment for Domain-generalization (SHED), a novel CLIP-based method that aligns style-homogenized embeddings instead of raw representations from encoders in CLIP. During training, SHED removes domain-specific style centroids from both image embeddings computed per source domains and text embeddings which are averaged across diverse prompt templates and stripped of a global centroid. For inference, considering the lack of target domain information, SHED projects diverse textual domain centroids into the visual space and aggregates predictions via membership weighting. Extensive experiments on five benchmarks show SHED achieves state-of-the-art performance, outperforming prior methods significantly (e.g., +4.0\% on DomainNet vs. standard fine-tuning).
Authors: Anthonio Oladimeji Gabriel, Ahmad Rufai Yusuf
Abstract: Current clinical artificial intelligence (AI) systems are evaluated almost exclusively on clean, standardised, English-language inputs, conditions that do not reflect the realities of healthcare delivery in low-resource settings. This study presents the first systematic dual audit of two orthogonal safety vulnerabilities in clinical AI: adversarial image fragility and cross-lingual diagnostic drift. Using DenseNet121, the architecture underlying CheXNet, fine-tuned on the COVID-QU-Ex chest X-ray dataset (85,318 images; COVID-19, Non-COVID Pneumonia, Normal), we demonstrate that diagnostic accuracy collapses from 89.3% to 62.0% under a Fast Gradient Method (FGM) perturbation of epsilon=0.021, a magnitude imperceptible to the human eye. Standard defensive strategies including Gaussian smoothing and ensemble voting failed to restore clinical safety. In a parallel language fragility experiment, we tested Llama3.1:8b and NatLAS (N-ATLAS) on 20 COVID-19 clinical cases presented in Standard English, Nigerian Pidgin (Naija), and Yoruba-inflected English. Both models exhibited significant accuracy degradation: Llama3.1:8b dropped from 80.0% to 65.0% on Pidgin; NatLAS, an African-context model, collapsed from 85.0% to 55.0%, with diagnosis consistency falling to 50%. These findings establish a quantitative failure envelope for clinical AI under conditions representative of Primary Health Centre (PHC) deployment in Nigeria, and motivate urgent calls for adversarially hardened, linguistically inclusive clinical AI architectures.
Authors: Kaiming Bian, Zujin Wen, Oscar Dahlsten
Abstract: The Quantum Fourier Transform (QFT) is required by hidden subgroup problem (HSP) algorithms, including Shor's algorithm for factoring. The circuit depth of the QFT remains challenging for near-term hardware. To find shallower alternatives we identify two properties that are exploited by the QFT to enable HSP. Firstly, the shift invariance of the QFT allows for the removal of a random overall shift. Secondly, the QFT retains information about the hidden subgroup generator accessible in the measurement outcomes. We quantify that information via the discrete Fisher information. We construct a family of shallow circuits using Hadamards and controlled-Phase gates, HP-$L$ circuits, that we prove preserve shift invariance. Numerical analysis shows these circuits retain exponentially growing Fisher information. The $\mathcal{O}(n)$ HP-$1$ can replace the $\mathcal{O}(n^2)$ QFT in Shor's algorithm, as demonstrated numerically, with an efficient neural network implementing classical post-processing.
Authors: Jo\~ao Paulo Gois, Luis Gustavo Nonato
Abstract: Dimensionality reduction algorithms map high-dimensional data into visualizable 2D or 3D spaces, but traditionally rely on a discrete point-cloud paradigm. This discrete abstraction is susceptible to visual occlusion and artificial discontinuities, often failing to represent the continuous density of the underlying manifold. To address these limitations, we introduce Topo-GS, a framework that repurposes 3D Gaussian Splatting (3DGS) to cast multidimensional projection as a meshless volumetric reconstruction process. Instead of standard photometric losses, Topo-GS is driven by local geometric constraints. By solving orthogonal Procrustes targets, the optimization enforces an As-Rigid-As-Possible prior while explicitly aligning the spatial covariance of each Gaussian to the local tangent space. Recognizing that unrolling data of varying intrinsic dimensionalities requires distinct spatial treatments, we utilize a topology-aware strategy that tailors the loss formulation to preserve either continuous 1D trajectories or cohesive 2D surfaces. Quantitative and visual evaluations demonstrate that Topo-GS successfully transforms discrete scatter plots into continuous volumetric representations, where inherent projection distortions explicitly manifest as observable geometric variations, while preserving local topological fidelity comparable to discrete baselines.
Authors: Carol Xuan Long, David Simchi-Levi, Feng Zhu, Huangyuan Su, Andre P. Calmon, Flavio P. Calmon
Abstract: This paper studies autonomous generative AI agents in multi-echelon supply chains using the MIT Beer Game. We identify four inference-time levers that shape performance: model selection, policies and guardrails, centralized data sharing, and prompt engineering. Model capability is the dominant factor: an out-of-the-box reasoning model exceeds human-level performance, and optimized reasoning models reduce costs by up to 67% relative to human teams. However, strong average performance masks substantial reliability risks. We introduce the agent bullwhip effect, the amplification of decision unreliability across echelons, manifesting along two dimensions: decision variance increases both across facilities at the same point in time and within the same facility across time. We develop a mathematical framework showing that this phenomenon is inherent to multi-agent systems that involve coordination and information delays, and we demonstrate that repeated sampling fails to meaningfully reduce it. To address this limitation, we propose a Group Relative Policy Optimization (GRPO)-based reinforcement-learning post-training framework that trains a shared base LLM using system-level supply-chain rewards. GRPO post-training substantially reduces tail events, curtails agent bullwhip, and improves the reliability of autonomous supply-chain agents.
Authors: Chi Bui, Maria Margarida Mascarenhas, Arnaud Verstraeten, Hussain Kazmi
Abstract: Recent advances in Time Series Foundation Models (TSFMs) promise zero-shot forecasting capabilities with minimal task-specific training. While these models have shown strong performance across generic benchmarks, their applicability in volatile, complex electricity markets remains underexplored. Addressing this gap, this study provides a systematic empirical evaluation of several TSFMs, specifically Chronos-2 and Chronos-Bolt (developed by Amazon), and TimesFM 2.5 (provided by Google), for forecasting Belgian day-ahead and imbalance electricity prices. For both considered markets, Chronos-2 in ARX mode produces the most accurate forecasts. Compared with the best ensemble prediction from other machine learning methods, Chronos-2's Mean Absolute Error (MAE) is 5% lower for the day-ahead market. In contrast, the model yields 10% higher MAE predicting imbalance prices across all forecast horizons, except for the two-hour-ahead horizon. Moreover, we find that TSFMs exhibit genuine zero-shot forecasting skills but still struggle under extreme market conditions.
Authors: Aleksandr Churilov (Independent Researcher)
Abstract: Spracklen et al. (USENIX Security '25) showed that code-generating large language models hallucinate package names that do not exist on PyPI or npm at rates ranging from 5.2% on commercial models to 21.7% on open-source models, creating an attack surface for slopsquatting -- the registration of malicious packages under hallucinated names. We replicate their methodology on five frontier code-capable LLMs released between October 2025 and March 2026: Claude Sonnet 4.6, Claude Haiku 4.5, GPT-5.4-mini, Gemini 2.5 Pro, and DeepSeek V3.2. Across 199,845 paired Python and JavaScript prompts validated against PyPI and npm master lists, we measure overall hallucination rates between 4.62% (Claude Haiku 4.5) and 6.10% (GPT-5.4-mini) -- an order-of-magnitude compression of the inter-model spread observed by Spracklen, but not a retirement of the threat. Beyond replication, we identify a set of 127 package names (109 on PyPI, 18 on npm) that all five evaluated models invent identically, constituting a model-agnostic supply-chain attack surface that no single-model study can reveal. We further document a Python-over-JavaScript hallucination asymmetry that inverts Spracklen's 2024 finding, identify a Haiku-below-Sonnet inversion within the Anthropic family, and observe a Jaccard-similarity peak between DeepSeek V3.2 and GPT-5.4-mini (J = 0.343) suggestive of shared training-data origins.
Authors: Prem Seetharaman, Rithesh Kumar
Abstract: Latent diffusion models have emerged as the dominant paradigm for many generation tasks including audio generation such as text-to-audio, text-to-music and text-to-speech. A key component of latent diffusion is an autoencoder (VAE) that compresses high-dimensional signals into a low frame rate continuous representation that is conducive for downstream prediction. Regularizing these VAEs is challenging, as there is a trade-off between over-regularized (poor output quality) and under-regularized (difficult to predict) latent representations. We propose a framework for studying this trade-off through compression and train Audio VAEs at specific bitrates via target-KL regularization. This allows direct comparison to well-studied discrete neural audio codec models, and the construction of rate-distortion curves for audio VAEs. We evaluate the impact of target-KL regularization on text-to-sound generation and find that sweeping compression rates is helpful in identifying the optimal generation setting.
Authors: Angela Srbinovska, Christopher Homan, Adrian Martin, Ernest Fokou\'e
Abstract: Law enforcement agencies are accumulating vast amounts of body-worn camera (BWC) footage. However, this remains operationally opaque. That is, analysts and trainers still have to invest considerable time watching full-length videos to pinpoint the start of key encounters and identify the points where activity shifts to something more physically intense. We present an approach to process BWC video into a time-aligned sequence of fixed-length 10-second windows, processed and labeled using a privacy-conscious protocol. Each window is labeled with two dimensions of information: (i) the operational context of the window and (ii) the level of motion intensity within the window, with low-evidence labels for windows for which insufficient evidence exists due to darkness, blur or occlusion. We train models to classify windows based on these two axes using frames sampled from each window encoded using CLIP model and aggregated into a window-level representation. We extract dense optical flow statistics for each window to capture motion intensity. On test windows the best context model achieves 78.75% accuracy, and the best-accuracy activity model achieves 88.33%. We also included integrity audits to show the results and how the visual timeline representations support faster incident review and make the officer training workflow more practical.
Authors: Aashna Garg, Siddharth Singha Roy, Jinu Jang, Federico Brancasi, Shengyu Fu
Abstract: Production LLM deployments increasingly maintain heterogeneous model pools spanning order-of-magnitude cost differences. Existing routers make binary strong-vs-weak decisions and couple learned parameters to specific model identities, requiring retraining whenever the catalog changes. We present HyDRA (Hybrid Dynamic Routing Architecture), a framework that predicts fine-grained, multi-dimensional capability requirements per query and matches them against configuration-defined model profiles via shortfall matching. A ModernBERT encoder with K=4 independent sigmoid heads scores each query along reasoning, code generation, debugging, and tool use; a shortfall-matching algorithm then selects the cheapest model whose capabilities meet the predicted requirements. The deployed predictor runs at 86 ms median CPU inference latency in production, and is fully decoupled from the model catalog -- adding or removing models requires only a configuration change, with zero retraining. On SWE-Bench Verified (5-model pool: GPT-5.4-mini, Claude Haiku 4.5, GPT-5.3 Codex, Claude Sonnet 4.6, GPT-5.4), HyDRA's tunable shortfall threshold spans three regimes: peak-quality exceeds the always-strong Claude Sonnet 4.6 baseline (75.4% vs. 74.2% resolution) at 12.9% cost savings; iso-quality matches Sonnet at 54.1% cost savings, a 6x improvement over our prior in-house binary router at 9.1%; aggressive pushes savings to 72.5% for a 3.2-point quality trade. Results generalize across LiveCodeBench, BigCodeBench, and tau-bench. HyDRA is deployed to all users in GitHub Copilot's VS Code Chat auto-mode and -- to our knowledge for the first time in the LLM routing literature -- demonstrates language-invariant routing across CJK, European, and other script families.
Authors: Phuoc-Toan Huynh, Richard Archibald, Feng Bao
Abstract: We introduce a novel framework for uncertainty quantification of solution operators associated with stochastic partial differential equations (SPDEs). Although SPDEs play a central role in modeling complex physical systems under uncertainty, their practical use typically requires specifying the magnitude and structure of model uncertainties that are often unknown and difficult to infer from noisy measurements. To address this challenge, we develop a stochastic operator-learning framework that learns directly from noisy data and outputs both a mean solution field and a quantification of uncertainty. The proposed method, namely the Stochastic Operator Network (SON), is constructed by combining the structure of the Deep Operator Network (DeepONet) with Stochastic Neural Networks (SNNs) to model stochasticity and enable probabilistic prediction. The training procedure is carried out by minimizing a Hamiltonian-type loss and optimizing the resulting objective using the Stochastic Maximum Principle. Numerical experiments on benchmark SPDEs under multiple uncertainty sources demonstrate the accuracy and robustness of the proposed method in capturing solution structure and quantifying predictive uncertainty.
Authors: Fangzhou Wu, Sandeep Silwal, Qiuyi Zhang
Abstract: Query clustering organizes queries into groups that reflect shared latent capability demands, enabling capability-aware LLM evaluation. Existing clustering methods, which primarily rely on semantic taxonomies or embeddings, often fail to capture such latent capability requirements due to a misalignment between surface-level semantics and actual model performance. We propose ECC, an algorithm that calibrates prior semantic embeddings using limited posterior model comparisons to bridge the gap between surface-level semantics and latent capability requirements. ECC characterizes each cluster through a capability profile parameterized by a Bradley-Terry model and uses trainable mixture weights to accommodate queries with mixed capability demands, jointly learning a flexible, capability-aware clustering structure that supports query-specific inference of LLM capabilities. Extensive quantitative and qualitative evaluations demonstrate that ECC significantly improves LLM capability ranking quality, outperforming human-labeled and embedding-based baselines by an average of 17.64 and 18.02 percentage points, respectively, and proves effective in downstream tasks such as query routing.
Authors: Travis Driver, John A. Christian
Abstract: Optical navigation is a critical component for lunar orbiter and lander missions. Image-based crater identification has emerged as a promising technology for optical navigation due to the abundance of craters on the lunar surface and the availability of extensive crater catalogs. Moreover, due to the relative morphological homogeneity among lunar craters, template matching has been identified as a promising approach for identification. In this paper, we propose EigenCrater, an automated crater template generation method based on principal component analysis of crater digital elevation maps (DEMs). We demonstrate superior detection and position estimation performance relative to hand-picked templates on simulated lunar imagery.
Authors: Seok-Jin Kim
Abstract: We study the multi-task linear regression problem in the presence of contaminated tasks. We address the setting where the unknown parameters of a majority of tasks are close in the $\ell_2$-norm, while a fraction of tasks are arbitrary outliers. Existing theoretical frameworks for this problem rely heavily on the assumption that the empirical second moment of each task has a minimum eigenvalue bounded away from zero (order $\Omega(1)$). Crucially, this assumption fails in many high-dimensional scenarios, rendering prior guarantees vacuous. To overcome this limitation, we propose an estimator based on matrix-weighted norm regularization. We also introduce a relative balancedness condition, quantified by a balancedness constant, that compares each task's second moment with the average inlier geometry and relaxes the need for taskwise second-moment lower bounds. In favorable regimes with moderate balancedness, our prediction MSE bounds match the rate of Duan and Wang (2023) under substantially weaker spectral assumptions; the resulting task-overall MSE is minimax optimal up to logarithmic factors. Furthermore, we demonstrate that our estimator enjoys a safety guarantee: when the relevant balancedness constant is large or infinite, or when tasks are unrelated, the method performs no worse than independent task learning. Consequently, our methodology achieves simultaneous adaptivity to task similarity, robustness to outliers, and safety outside favorable transfer regimes.
Authors: Minhas Kamal, Hiranya Garbha Kumar, Balakrishnan Prabhakaran
Abstract: Point cloud stands as the most widely adopted format for representing 3D shapes and scenes due to its simplicity and geometric fidelity. However, its inherent unordered and irregular nature, exacerbated by sensor noise and occlusions, introduces unique challenges for machine learning based methodologies. To combat these issues, diverse strategies have been developed, including converting to a format that has orderliness, extracting local geometry, and permutation-invariant or self-attention-based processing. In this paper, our focus is directed towards deep learning models for three fundamental tasks in 3D vision: point cloud classification, part segmentation, and semantic segmentation. We begin by formally defining point cloud data, followed by an in-depth discussion on its structural characteristics. Then, we categorize notable works based on their backbone structure and evaluate their performance on popular benchmarks. Beyond empirical comparison, we offer insights into architectural innovations and limitations. We also outline open challenges and promising future directions for 3D point cloud understanding.
Authors: Miranda Muqing Miao, Subin Kim, Brandon Yang, Lyle Ungar
Abstract: Vision-Language-Action (VLA) models leverage powerful perceptual priors from web-scale Vision-Language Model (VLM) pre-training, yet they remain surprisingly brittle in practice, frequently failing at simple robotic tasks. To mitigate this, we propose Contrastive Conceptor Activation Steering (COAST). COAST builds on the notion of a "conceptor", a linear operator that soft-projects data into the principal components of a target distribution. COAST uses conceptors to identify success-critical subspaces for a target robotic task from a few examples of success and failure rollouts. At inference time, it steers VLA latents into these identified success subspaces to improve task outcomes. Across three architecturally distinct neural policies (flow-matching VLA, autoregressive VLA, and Diffusion Policy), COAST improves absolute mean simulation and real-robot task success rate by over 20 and 40% respectively. The activation subspace geometry reveals that failure modes share substantial structure across tasks while success representations remain largely task-specific. When tasks share similar failure modes, this structure enables previously fitted conceptors to improve performance on new tasks without refitting. Ultimately, our results suggest that current VLAs retain substantial task-relevant knowledge in their latent representations, and that the action expert's decoding bottleneck could be mitigated by steering its residual stream toward task-relevant subspaces. COAST provides a lightweight, training-free path to unlocking these latent capabilities by steering the model towards its own "success" distributions.
Authors: Yasar Yanik, Himadri Basu, Ricardo G. Sanfelice, Daniele Venturi
Abstract: Digital twins (DTs) rely on continuous synchronization between physical systems and their virtual counterparts through online parameter estimation under uncertainty. In many practical settings, however, this task is challenged by low observability, weak excitation, nonlinear dynamics, and noisy or biased measurements. In this work, we develop a new mathematical framework that integrates Weighted Flow Matching (WFM) generative modeling with physics-informed nonlinear filtering to enhance parameter estimation in DTs. WFM relies on dynamic reweighting of training samples, which guides the generative model toward parameter regimes most informative of the evolving system state. This generative component is tightly coupled with a physics-informed filtering architecture based on the Unscented Kalman Filter (UKF), yielding a unified DT framework that combines data-driven probability transport with physically consistent state and parameter estimation. The effectiveness of the new integrated framework is demonstrated within a spacecraft DT architecture, where stable moment of inertia estimation is achieved under uncertain and noisy sensing, with significant performance improvements over established approaches such as Extended Kalman Filtering (EKF) and Ensemble Kalman Filtering (EnKF). These results highlight the potential of weighted generative modeling as a core mechanism for real-time DT synchronization in operational and mission-critical systems.
Authors: Adrian Rubio-Solis
Abstract: The Manta Ray Foraging Optimization algorithm (MRFO) has proven to be a powerful heuristic strategy in the optimal solution of a large number of engineering problems. In this paper, an improvement of MRFO with Levy Flight is suggested for the training of extreme learning machines (ELMs) whose basic model is a Single Layer Feedforward Network (SLFN). The proposed methodology that we called Evolutionary EELM-MRFO-LF for short is implemented to the prediction of unrelaxed and relaxed formation energy compounds relative to ground state crystal structure of pure components in binary systems. EELM-MRFO-LF follows the learning procedure of traditional Evolutionary ELMs in which first MRFO with LF is used to select the input weights and Moore-Penrose (MP) generalized inverse is applied to analytically determine the output weights. Levy Flight trajectory is implemented for increasing the diversity of the population of ELMs against premature convergence and the ability of avoiding getting trapped in a local optima. The performance of the suggested EELM-MRFO-LF is compared with other well-known nature-inspired algorithms under similar conditions.
Authors: Samira Sayedsalehi, Nader Bagherzadeh, Maxim Shcherbakov, Jean-Luc Gaudiot
Abstract: Quantum error correction (QEC) is essential for building fault-tolerant quantum computers, requiring decoders that are simultaneously accurate, fast, and scalable. Most state-of-the-art neural decoders achieve high accuracy but process the full dense syndrome array of size $O(d^2 R) $regardless of the actual error rate, where d is the code distance and R is the number of measurement rounds. At physically relevant error rates (p ~ 0.1%), fewer than 5% of syndrome entries contain active detection events -- yet existing decoders process the entire syndrome volume. We introduce the Sparse Mamba Decoder (SMD), a defect-centric neural decoder that processes only the k active detection events using a 13-dimensional feature representation per defect and a Mamba state-space backbone, achieving $O(k)$ complexity. Across depolarizing, uniform circuit-level, SI1000, and Google Sycamore experimental benchmarks, SMD reduces the MWPM logical error rate by up to 49% at $d \le 5$ under SI1000 noise, runs 95-467x faster than the Tesseract near-MLD decoder and 232-463x faster than Belief Matching, and maintains nearly constant latency (24-57 us) across d = 3-9 under uniform circuit-level noise. On the Sycamore experimental dataset, the SMD ensemble matches or slightly surpasses the dense Mamba decoder of Varbanov et al. All results are obtained on commodity NVIDIA GPUs with 7.5-16M parameters, without specialized accelerators.
Authors: J\'an Kla\v{c}an, Sizhong Zhang
Abstract: This paper investigates whether shallow neural network agents can master the card game Schnapsen and challenge a strong search-based baseline, RdeepBot, which uses Monte Carlo sampling and lookahead search. Guided by a progressively more complex experimental design, we first evaluate a supervised learning agent (MLPBot) trained on replay data and then a reinforcement learning agent (RLBot) with the same shallow architecture trained through asynchronous Monte Carlo updates and experience replay. The results show that supervised imitation does not generalize well enough to defeat strong RdeepBot opponents, whereas reinforcement learning produces substantially stronger agents. In the setting that focuses on the depth parameter of RdeepBot, the best performance is achieved when the learned value function is combined with deeper lookahead during gameplay, allowing RLBot to achieve statistically significant higher winning rates against the strongest evaluated RdeepBot baseline. In the sample-based setting, the gains are more conditional: the strongest performance appears at a relatively lower training num_samples parameter rather than increasing uniformly with stronger sampling.
Authors: Mengtian Yang, Zhekun Zhang, Mingheng Wu, Jianwen Yan, Hanshi Sun, Li-wen Chang
Abstract: Deploying large-scale LLM training and inference with optimal performance is exceptionally challenging due to a complex design space of parallelism strategies, system optimizations, and hardware configurations. Accurate and rapid performance simulation is critical for guiding optimization efforts and system studies by validating "what-if" Hooker Figure hypotheses. To address this, we introduce Charon, a unified, modular, and fine-grained simulator for accurately predicting LLM performance. Experiments show Charon achieves high accuracy across different models and configurations, with an overall prediction error consistently under 5.35%, and even under 3.74% for training with a large-scale GPU cluster. In a practical inference deployment case, Charon discovered a configuration that improved system throughput over an engineering-tuned baseline, demonstrating its significant real-world value.
Authors: Santosh Premi
Abstract: Joint-Embedding Predictive Architectures (JEPA) are a promising framework for self-supervised video representation learning, yet the behavior of auxiliary objectives in small-scale Video-JEPA training is not well characterized. We report a small-scale empirical study of 18 auxiliary objective variants for Video-JEPA across two pretraining regimes: single-dataset (UCF-101) and mixed-dataset (UCF-101 + Something-Something V2 + ImageNet-100). We evaluate frozen representations on three complementary benchmarks: Diving-48 (fine-grained motion), SomethingSomething V2 (temporal reasoning), and ImageNet-100 (appearance). Our experiments suggest that many auxiliary objectives exhibit capacity trade-offs: gains on one downstream capability often coincide with degradation on another. We then study FWM-HW-LD (Factorized World-Model with Hard-Region-Weighted Latent Dynamics), a training-time objective that separates the latent representation into appearance and dynamics subspaces and applies hard-region weighting to both JEPA prediction errors and latent dynamics errors. In our mixed-dataset setting, FWM-HW-LD improves ImageNet-100 by +5.92 and SSv2 by +3.21 percentage points relative to the reference baseline, while remaining within 0.30 percentage points on Diving-48. These results indicate that latent factorization is a useful direction for studying auxiliary-objective trade-offs in Video-JEPA.
Authors: Max Zhang, Ameen Patel, Sang T. Truong, Sanmi Koyejo
Abstract: Large language models exhibit safety degradation in non-English languages. Standard evaluation relies on Jailbreak Success Rate (JSR), which confounds several safety-driving factors into one, obscuring the specific cause(s) of safety failure. We introduce a latent variable model, a Multi-Group Item Response Theory (IRT) framework, that decouples safety-driving factors such as language-agnostic safety robustness ($\theta$), intrinsic prompt hardness ($\beta$), global language processing difficulty ($\gamma$), and a prompt-specific cross-lingual safety gap ($\tau$). Using the MultiJail dataset, we evaluate the safety robustness of 61 model configurations across 5 closed-model families and 10 languages of varying resource, aggregating a dataset of 1.9 million rows. Exploratory Factor Analysis shows safety is primarily unidimensional: models refuse different harm types mainly through a shared mechanism. Contrary to the expected trend that safety degrades largely in low-resource languages, 22 model configurations are more vulnerable in English than in low-resource languages. Low-resource languages produce more uncertain responses (high entropy) than high-resource languages. Also, high-$\tau$ prompts cluster in physical harm categories like Theft and Weapons and lower-resource languages, trends validated through cross-dataset generalization. While global translation quality shows low correlation with $\tau$, severe mistranslations drive high-bias outliers, as validated by native speakers. Cultural and conceptual grounding mismatches also contribute to $\tau$. In predictive validation, the IRT framework achieves $\mathrm{AUC} = 0.940$, outperforming simpler baselines in predicting safe refusal of unsafe prompts. Our framework reveals concept-language vulnerabilities that aggregate metrics obscure, enabling fairer cross-lingual safety evaluation and targeted improvements in dataset construction.
Authors: Bego\~na Garc\'ia Malaxechebarr\'ia, Courtney Paquette, Maryam Fazel, Dmitriy Drusvyatskiy
Abstract: Understanding the behavior of stochastic gradient methods is a central problem in modern machine learning. Recent work has highlighted diagonal linear networks as a simplified yet expressive setting for analyzing the optimization and generalization properties of neural models. In this work, we show that in the high-dimensional regime, stochastic gradient descent on diagonal linear networks is well-approximated by continuous dynamics governed by a stochastic differential equation (SDE), which explicitly decouples the drift from the gradient noise. We further derive a deterministic partial differential equation whose solution propagates the relevant state of the iterates and characterizes the time evolution of a broad class of observable statistics, including the risk, curvature, and other metrics for optimality. Finally, we show that, under a suitable parametrization, the stochastic dynamics are globally well posed and converge exponentially fast to zero risk with high probability, yielding a fully explicit non-asymptotic description of their long-time behavior. Numerical simulations corroborate our theoretical findings.
Authors: Yuepeng Yang, Cong Ma
Abstract: Low-rank matrix completion is a widely studied problem with many variants. Inductive matrix completion (IMC) incorporates row and column side information to significantly narrow the search space. Prior work falls into two regimes: methods that exploit this structure to achieve reduced sample complexity but only in noiseless settings, and methods that handle noise but require sample complexity matching the ambient matrix dimension, forfeiting the sample efficiency that side information should provide. In this paper, we close this gap by studying noisy IMC with a nonconvex projected gradient descent algorithm with spectral initialization. Our main technical contribution is establishing a regularity condition for the IMC loss function that holds at the reduced sample complexity determined by the effective problem size, scaling with the side information dimension a rather than the ambient dimension n. This directly yields linear convergence and an estimation error that both depend only on the effective problem size rather than the ambient matrix dimension. We further extend our analysis to the inexact side information setting, demonstrating that the reduced sample complexity is maintained and the estimation error is order-optimal with respect to the inexactness of the side information. Extensive simulations and real-world experiments on the MovieLens dataset validate our theoretical findings.
Authors: Barsat Khadka, Prasant Koirala, Kshitiz Neupane, Nick Rahimi
Abstract: Social engineering attacks exploit human trust rather than software vulnerabilities, making them difficult to detect using conventional filters. We propose a two-stage filter-then-verify framework combining inductive Graph Neural Networks (GNNs) for structural anomaly detection with a co-attention ModernBERT model for content verification. The GNN identifies anomalous sender-receiver patterns, while BERT analyzes message context to reduce false positives. Using the Enron dataset augmented with realistic synthetic campaigns, we show that the framework achieves 86% recall in structural filtering and over 92% precision after BERT refinement, effectively detecting both external attacks and insider threats. Our results demonstrate that combining structural and content analysis allows practical, scalable detection of multi-stage social engineering attacks in email networks.
Authors: Joseph Strauss, Jyotsna Sharma
Abstract: Marine oil spills require rapid detection to mitigate severe ecological and economic damage. While satellite-based Synthetic Aperture Radar (SAR) provides essential all-weather monitoring, analyzing this data remains challenging. Deep learning models often require massive datasets and incur high latency. To address this, a pixel-wise quantum-assisted Support Vector Machine (QSVM) bagging ensemble is developed. Quantum annealing is leveraged to optimize the support vectors of individual weak SVMs on small data subsets, which are then classically aggregated. The approach is evaluated on Sentinel-1 imagery using both quantum simulation and physical quantum annealing hardware. The quantum-assisted pipeline achieved performance comparable to a rigorous classical baseline, yielding an Intersection-over-Union (IoU) of 0.60 and a balanced accuracy of 0.89. Complementary experiments with gate-based quantum computing demonstrated similar segmentation accuracy, although the annealing approach offered superior inference efficiency. Generalization was further assessed on independent oil spill imagery from the Strait of Hormuz, demonstrating the potential transferability of the trained pipeline to geographically distinct spill events. These results establish the feasibility of quantum-assisted, segmentation pipelines for near-real-time environmental monitoring.
Authors: S. Tazili, A. Mansour, M. Y. Chkouri
Abstract: Artificial Intelligence (AI) is widely adopted today for its ability to detect patterns, automate tasks, and reduce time and cost across various applications. Its integration into Cybersecurity has garnered significant attention, particularly in areas such as intrusion detection, malware analysis, and phishing or spam detection. As AI and cybersecurity evolve, new methods and approaches emerge regularly. Current trends include the use of Generative AI, Natural Language Processing, Federated Learning for privacy-preserving collaborative training, and eXplainable AI to ensure interpretability and trust, which are vital in cybersecurity. This paper presents an interesting review of current AI-based cybersecurity trends, focusing on intrusion detection approaches and aiming to uncover meaningful insights through comparative analysis based on the employed AI techniques and reported performance.
Authors: Hanyan Cao, Ge Yan, Yuxuan Du, Feng Pan
Abstract: Quantum error correction (QEC) is indispensable for realizing fault-tolerant quantum computation, yet its effectiveness hinges critically on the classical decoding algorithm that interprets noisy syndrome measurements. Among all possible decoding strategies, maximum likelihood decoding (MLD) is provably optimal, since it identifies the logical group with largest likelihood by summing over all possible errors within logical class consistent with the observed syndrome. Despite its optimality, MLD is computationally intractable in general (#P-hard), motivating a rich landscape of exact and approximate algorithms. In this topical review, we provide a unified perspective on MLD by surveying recent advances through three complementary lenses: statistical mechanics, tensor networks, and artificial intelligence. From the statistical mechanics viewpoint, the MLD problem maps onto evaluating partition functions of disordered spin models, enabling exact solutions for certain codes and noise models as well as threshold estimation via phase-transition analysis. From the tensor network perspective, approximate contraction of tensor networks on the code's factor graph yields decoders that closely approach MLD accuracy with polynomial computational cost. From the artificial intelligence perspective, neural-network-based decoders, including autoregressive generative models and recurrent transformers, learn to approximate the MLD distribution from data, achieving high accuracy with the parallelism afforded by modern hardware accelerators. We discuss the connections among these three approaches, review their application to both simulated and experimental quantum hardware, and outline open challenges including real-time decoding, scalability to large code distances, and generalization to high-rate quantum low-density parity-check codes.
Authors: Praveen Hegde, Mishal Shah
Abstract: Telecommunication fraud is an acute problem that leads to substantial material losses and compromises the reliability of telecom systems worldwide. Only effective and efficient detection mechanisms can help to deal with these threats, though there are certain shifts in the approaches to fraud detection. This paper evaluates the performance of AI-driven models for fraud detection in telecommunication networks using Call Detail Record (CDR) datasets. This study focuses on fraud detection in telecom networks using the Telecom CDR dataset, which contains 101,174 customer records with 17 attributes, including 8,830 fraud cases. In feature preprocessing, missing values were dealt with, followed by data scaling using Min-Max scaling and data balancing using the SMOTE technique. The dataset was trained for predictive analysis using Random Forest (RF) and XGBoost models. F1-score, ROC AUC, recall, accuracy, time, and precision were used as indicators with which to compare performance of the two models. RF recorded a high level of accuracy at 99.9% while XGBoost at 99.7%. Findings show that the suggested framework successfully detects fraud with few misclassifications. Several machine learning models were evaluated and contrasted, such as RF, XGBoost, DBSCAN, RoBERTa, and K-means. Among all the models, RF was seen to give the highest performance with an accuracy of 99.9% and precision of 99.9%, recall of 99.9% and F1-score of 99.9%, XGBoost, GNN and BERT. The findings emphasize RF as the most effective model for detecting fraudulent activities in telecom networks, ensuring robust and reliable prevention of fraud.
Authors: Gautam Chandrasekaran, Georgios Gkrinias, Adam R. Klivans, Konstantinos Stavropoulos, Arsen Vasilyan
Abstract: Recent work due to Goel et al. gave the first efficient algorithms for learning with distribution shift in the challenging PQ framework. In this setting, a learner receives labeled training examples, unlabeled test examples, and must make correct predictions on the test set but is allowed to abstain from predicting on out-of-distribution points. Their results rely on ${\cal L}_2$ sandwiching approximations, a strong requirement that leads to poor bounds for several basic function classes such as DNF formulas. Here, we show that the weaker notion of ${\cal L}_1$ sandwiching suffices for efficient PQ learning. As a consequence, we obtain the first quasipolynomial-time PQ learning algorithm for DNFs under the uniform distribution and essentially match the guarantees known for ordinary PAC learning. More broadly, our bounds provide exponential improvements for several classes including constant depth circuits and constant degree polynomial threshold functions. Our main technical ingredient is Iterative Chow Filtering, a new procedure that uses low-degree Chow parameters to identify and remove test points incompatible with the training distribution.
Authors: Emad Abukhousa, Saman Zonouz, A. P. Sakis Meliopoulos
Abstract: This work introduces a latency-aware benchmarking framework for evaluating deep learning models in power system anomaly detection using high-fidelity, time-domain signals generated from an industry-grade electromagnetic transient simulator. Eight neural network architectures, ranging from MLPs to Transformers, were systematically evaluated on streaming datasets representing both physical faults and cyber-attacks in inverter-dominated networks. All models successfully classified two representative multi-event sequences in real time with sub-cycle response times below 15 ms. However, although classification decisions occurred within one cycle, the end-to-end inference latency consistently exceeded three cycles, ranging from 50 to 90 ms. These results highlight a critical gap between algorithmic capability and protection-grade deployment, pointing to the need for further optimization and hardware acceleration. The findings establish a reproducible benchmark for sub-cycle anomaly detection and provide guidance for transitioning machine learning methods from research prototypes to real-world protection applications.
Authors: Haoyang Cao, Jesse Hoekstra, Renyuan Xu, Yumin Xu, Ruixun Zhang
Abstract: Bi-causal optimal transport (OT) is a natural framework for comparing and coupling stochastic processes under nonanticipative information constraints, with important applications in robust finance, sequential uncertainty quantification, and multistage stochastic optimization. In particular, a learned bi-causal coupling naturally serves as a simulator for generating joint sample paths that respect both prescribed marginal laws and the underlying information flow. Its practical use, however, is limited by the computational difficulty of enforcing bi-causal coupling constraints over path space, especially for continuous distributions and long horizons. We develop a scalable stochastic-optimization framework for computing bi-causal OT couplings under general marginals. Our approach introduces a Kullback--Leibler (KL)-penalized relaxation that replaces hard marginal constraints with tractable divergence penalties while preserving the recursive structure of the problem. We establish dynamic programming principles for both the original and relaxed formulations, prove that the relaxed problem converges to the original bi-causal OT problem as the penalty grows, and derive explicit policy-gradient representations for the relaxed objective. Building on these results, we propose a practical policy-gradient algorithm with unbiased mini-batch estimators, variance reduction, and nonasymptotic regret guarantees. Numerical experiments show that the method accurately captures marginal laws and temporal dependence, and performs well in applications including robust subhedging and time series statistical downscaling. These results provide a scalable computational approach to bi-causal OT and broaden its applicability in settings where nonanticipative information constraints are essential.
Authors: Ujjwala Vadrevu
Abstract: Accurate forecasting of the Volatility-Covariance Matrix (VCV) is central to regulatory capital adequacy processes such as the Internal Capital Adequacy Assessment Process (ICAAP) and the Comprehensive Capital Analysis and Review (CCAR). Traditional econometric models, including GARCH-family and Exponentially Weighted Moving Average (EWMA) approaches, suffer from parametric rigidity, distributional assumptions, and numerical instability under stress, leading to systematic underestimation of tail risk. This paper proposes and validates a novel Hybrid Gaussian Process Regression-Historical Simulation (GPR-HS) framework for estimating Value-at-Risk (VaR) and Expected Shortfall (ES) across a diversified portfolio of seven major global equity indices. The framework decouples the VCV estimation problem: individual asset volatilities are modelled dynamically using Univariate GPR with a Matern 5/2 kernel, while inter-asset correlations are estimated via stable historical covariance. A key methodological contribution is the Aggressive Noise Initialization (ANI) strategy, which sets the initial White Noise kernel variance equal to the empirical variance of the training returns, ensuring Gram matrix positive-definiteness, regularization, and conservative, regulatory-compliant forecasts. Evaluated using an expanding window forward-chaining cross-validation scheme over June 2020 -June 2025, the GPR-HS framework achieves regulatory compliance in the majority of test splits; including a 100% ES pass rate at the portfolio level, while outperforming the static Historical VaR benchmark in 71.4% of univariate cases by Quadratic Loss and 100% of cases by violation count.
Authors: Qingchuan Ma, Yuexiao Ma, Yongkang Xie, Tianyu Xie, Xiawu Zheng, Rongrong Ji
Abstract: Abstract reasoning ability reflects the intelligence and generalization capacity of LLMs to extract and apply abstract rules. However, accurately measuring this ability remains challenging: existing benchmarks either rely on expensive manual annotation, limiting their scale, or risk measuring memorization rather than genuine reasoning. To address this, we introduce an automated pipeline named A2RBench, encompassing generation, expansion, evaluation, and analysis. Specifically, in the generation stage, LLMs create diverse tasks demanding genuine reasoning; in the expansion stage, LLMs reuse validated rules and expand new input spaces to generate task variations, achieving scaling. However, such a process may cause hallucinations. To eliminate it, we further establish a theoretical framework and prove that programmatic verification--testing whether the inverse operation perfectly reverses the forward operation (cycle consistency)--guarantees a unique solution. Through extensive evaluations on mainstream LLMs, we find: (1) Current LLMs exhibit fundamental deficiencies in abstract reasoning, with top models significantly underperforming humans on a representative subset (39.8% vs. 68.5%). (2) Current LLMs fall far short of 2D and 1D in the complexity of generated 3D tasks, revealing their lack of understanding of high-dimensional tasks. (3) Counterintuitively, inputs with higher information complexity can simplify the reasoning process.
Authors: Andrei Velichko, N'Gbo N'Gbo, Bruno Carpentieri, Mudassir Shams
Abstract: Estimating the largest Lyapunov exponent from a scalar time series is difficult when the governing equations, tangent dynamics, and full state vector are unavailable. We propose FEG-Pro, a forecast-error growth profiling framework for nonlinear scalar time series. The method constructs autocorrelation-guided sparse histories, performs distance-weighted k-nearest-neighbor multi-horizon forecasting, and analyzes the logarithmic growth of geometrically averaged forecast errors. Its primary output is the finite-horizon forecast-error growth slope, lambda_FEG. When the error-growth curve supports a quasi-linear regime, this slope can be compared with reference largest Lyapunov exponents as an estimate of the dominant instability rate. The same pipeline also extracts the formal fit-selection regime, curvature, residual roughness after quadratic detrending, monotonicity, and forecast-error distribution entropy (FEDE) from signed multi-horizon errors. These secondary descriptors are intended not only as diagnostic controls for the slope, but also as candidate machine-learning features for nonlinear signal analysis, because they encode profile geometry and distributional uncertainty not captured by lambda_FEG alone. We evaluate the method on chaotic maps, Mackey-Glass delay dynamics, and scalar Lorenz-63 observables with known or reference exponents. Full-record experiments show good agreement in quasi-linear cases and meaningful curve-shape information in curved or weak profiles. A dyadic length-halving experiment on representative logistic, Mackey-Glass, and Lorenz records shows that residual roughness and mean FEDE often change monotonically and remain interpretable as record length decreases, even when the slope becomes biased or highly variable. The results support treating forecast-error growth as a structured profile and feature-generation framework rather than a single-number estimator.
Authors: Ruiyang Zhu, Yuehan He, Boyuan Zheng, Zesen Zhao, Ahmad Chalhoub, Qingzhao Zhang, Z. Morley Mao
Abstract: End-to-end autonomous driving systems powered by Vision-Language-Action (VLA) models achieve strong performance on common driving scenarios, yet remain brittle in rare but safety-critical long-tail situations such as active construction zones and complex yielding geometries. In this paper, we present a method that addresses the long-tail challenging scenes beyond data scaling and model training. We introduce CLAP (Contrastive Latent-space Prompt optimization), a location-aware adaptation framework that augments a frozen VLA driving model with per-roadblock soft prompts, optimized from crowdsourced data and retrieved on demand via Vehicle-to-Everything (V2X) communication. Our approach rests on two observations from VLAs' latent space: (i) at the VLA's hidden-state layer, scenarios from the same roadblock cluster tightly and occupy compact regions of the latent space; and (ii) within a single roadblock, long-tail and normal frames are heavily intermixed in the latent representation, making it difficult to improve one without disturbing the other. CLAP addresses this via a two-stage pipeline: supervised contrastive learning to discover a roadblock-specific hard-scene direction, followed by directionally regularized prompt optimization that selectively improves challenging frames while preserving normal frame performance. On the NAVSIM benchmark with various state-of-the-art VLA backbones, CLAP reduces challenging scenario planning error by 24% with no regression on normal frames, significantly improving planning performance.
Authors: Kamil Kashif, Robert \'Slepaczuk
Abstract: This study develops and evaluates a deep reinforcement learning framework for dynamic portfolio allocation across global equity markets. The Soft Actor-Critic algorithm is used to learn continuous portfolio weights within a Markov Decision Process, incorporating transaction costs, turnover penalties, and diversification constraints into the reward function. Five model configurations are compared, varying in reward formulation, policy structure (flat versus hierarchical Dirichlet), portfolio constraints, and temporal encoder (LSTM versus Transformer), and evaluated via walk-forward optimization across sixteen out-of-sample folds spanning 2003-2026 on the Nasdaq-100, Nikkei 225, and Euro Stoxx 50. Results show that RL strategies achieve competitive risk-adjusted performance primarily in the Euro Stoxx 50, where statistically significant abnormal returns are observed, but the central hypothesis is only partially confirmed: no strategy achieves statistically significant excess returns relative to Buy and Hold under HAC-robust inference across all markets. Regime analysis reveals that RL adds the most value during periods of elevated uncertainty, while ensemble aggregation across markets improves risk-adjusted performance and confirms the benefits of geographic diversification.
Authors: Wei Deng
Abstract: We consider whether off-policy experience from a smaller, weaker model can elicit capability in a stronger learner that on-policy RL fine-tuning (e.g., GRPO) does not reach. We find that injecting mathematically wrong drafts from a smaller but more domain-trained model -- mismatched to the current problem -- into a stronger learner's GRPO context consistently outperforms standard on-policy GRPO on held-out MATH-500 and out-of-distribution AIME 2025/2026. Concretely, we use Mathstral-7B as the learner, Qwen2.5-Math-1.5B as the draft model, 8.8K Level 3--5 MATH problems (with MATH-500 held out), and train with Dr. GRPO. Mismatch is an active ingredient: shuffling drafts to mismatched problems while holding everything else constant yields $+1.62$pp on MATH-500 (greedy pass@1) over the matched-wrong variant ($n=10$ seeds, $p=0.0015$, Welch's $t$). In fact, the mismatched-wrong variant leads all other variants we tested on MATH-500 across both greedy pass@1 and sampling pass@$k$. On out-of-distribution AIME 2025 and 2026, the mismatched-wrong variant uniquely lifts pass@$k$ above both Mathstral-7B (in its native [INST] format) and the Qwen2.5-Math-1.5B draft model at every sample budget from $k=1$ to $k=1024$ across 2 seeds ($+14.2$pp on 2025 and $+9.0$pp on 2026 at pass@1024 over Mathstral-7B), and at pass@1024 also leads no-draft, matched-wrong, and mismatched-correct variants on both years. All variants use the same prompt with no draft injection at test time. The recipe -- trained on a single GPU with no SFT, no reward models, no synthesized data, and no produce-critique-revise inner loop -- reaches 71.98% MATH-500 on Mathstral-7B-v0.1, the highest published result on this model to our knowledge, surpassing the heavier WizardMath pipeline at 70.9% on full MATH (SFT + PPO with process/instruction reward models).
Authors: Dieter W. Heermann, Hagen Heermann
Abstract: Reliable early detection of lithium-ion battery degradation requires health indicators that are physically interpretable and computable from routine cycler telemetry without access to the degradation region. We introduce \textsc{CausalHealth}, a framework that applies causal graph discovery and $k$-nearest-neighbour transfer entropy to per-cycle voltage, current, temperature, and resistance time series, and organises twelve resulting anomaly scores into three signal-class bundles (Magnitude-shift, Predictive-residual, Complexity-entropy) -- with Isolation Forest reported separately as it falls below the bundle reliability threshold -- to characterise detection sensitivity across ten commissioning fractions (5--30\,\%). The Magnitude-shift class achieves 100\,\% detection across all seven tested cells spanning LFP (MIT--Stanford MATR) and LCO (NASA PCoE, CALCE CS2) chemistries, with a lead time of up to 402 cycles before conventional capacity-threshold failure on gradual-fade cells. A Reliability-Weighted Master Health Index (RWMHI) -- a cross-bundle fusion of five high-reliability detectors weighted by inverse coefficient of variation -- improves lead time by 15--52 cycles over the class median on long-lived cells while maintaining 100\,\% detection. Validation against electrochemical impedance spectroscopy on an NMC prismatic cell provides independent physical grounding: transfer entropy $\mathrm{TE}(R \!\to\! V)$ correlates with charge-transfer resistance $R_{\mathrm{ct}}$ (pooled $r = +0.990$; temperature-controlled partial $r = +0.898$), and an Arrhenius analysis of both quantities yields an activation energy consistent with published NMC charge-transfer kinetics. These results are evaluated on seven cells across three benchmark datasets.
Authors: Nikita Marshalkin
Abstract: When a neural network estimates someone's age from a photograph, does it process biometric data? The answer depends on whether identity-discriminative representations arise within the network during inference, a question that may seem trivial to ML researchers but triggers consent requirements under GDPR, statutory damages under BIPA, or high-risk AI classification under the EU AI Act. Yet no regulatory guidance addresses it. This position paper provides empirical evidence: 14 models evaluated across 3 face verification benchmarks show age estimators fall orders of magnitude short of identification thresholds. Age estimation models cannot identify individuals. We call on researchers to provide transparency about what systems store and can do, and on regulators to distinguish transient processing from template storage.
Authors: Chenning Li, Pan Hu, Justin Xu, Baris Ozbas, Olivia Liu, Caroline Van, Manxue Li, Wei Zhou, Mohammad Alizadeh, Pengyu Zhang, KK Sriramadhesikan, Ming Zhang
Abstract: We present the Agentic AI Detection and Response (ADR) system, the first large-scale, production-proven enterprise framework for securing AI agents operating through the Model Context Protocol (MCP). We identify three persistent challenges in this domain: (1) limited observability -- existing Endpoint Detection and Response (EDR) tools see file writes but not the agent reasoning, prompts, or causal chains linking intent to execution; (2) insufficient robustness -- static defenses constrained by pre-defined rules fail to generalize across diverse attack techniques and enterprise contexts; and (3) high detection costs -- LLM-based inference is prohibitively expensive at scale. ADR addresses these challenges via three components: the ADR Sensor for high-fidelity agentic telemetry, the ADR Explorer for systematic pre-deployment red teaming and hard-example generation, and the ADR Detector for scalable, two-tier online detection combining fast triage with context-aware reasoning. Deployed at Uber for over ten months, ADR has sustained reliable detection in production with growing adoption reaching over 7,200 unique hosts and processing over 10,000 agent sessions daily, uncovering hundreds of credential exposures across 26 categories and enabling a shift-left prevention layer (97.2% precision, 206 detected credentials). To validate the approach and enable community adoption, we introduce ADR-Bench (302 tasks, 17 techniques, 133 MCP servers), where ADR achieves zero false positives while detecting 67% of attacks -- outperforming three state-of-the-art baselines (ALRPHFS, GuardAgent, LlamaFirewall) by 2--4x in F1-score. On AgentDojo (public prompt injection benchmark), ADR detects all attacks with only three false alarms out of 93 tasks.
Authors: Meng Li (School of Computing, University of South China, Hengyang, 421001, China, Hunan Engineering Research Center of Software Evaluation and Testing for Intellectual Equipment, Hengyang, 421001, China, CNNC Key Laboratory on High Trusted Computing, Hengyang, 421001, China), Xiaohua Yang (School of Computing, University of South China, Hengyang, 421001, China, Hunan Engineering Research Center of Software Evaluation and Testing for Intellectual Equipment, Hengyang, 421001, China, CNNC Key Laboratory on High Trusted Computing, Hengyang, 421001, China), Jie Liu (School of Computing, University of South China, Hengyang, 421001, China, Hunan Engineering Research Center of Software Evaluation and Testing for Intellectual Equipment, Hengyang, 421001, China, CNNC Key Laboratory on High Trusted Computing, Hengyang, 421001, China), Shiyu Yan (School of Computing, University of South China, Hengyang, 421001, China, Hunan Engineering Research Center of Software Evaluation and Testing for Intellectual Equipment, Hengyang, 421001, China, CNNC Key Laboratory on High Trusted Computing, Hengyang, 421001, China)
Abstract: Context. Metamorphic Testing is recognised in IEEE/ISO software-testing standards and increasingly recommended for AI systems, but its progress is bottlenecked by metamorphic relation (MR) identification: existing approaches (structured frameworks, mining and evolutionary pipelines, LLM-assisted methods, MetaPattern catalogues) share an inductive grounding that leaves three foundational questions open: origin, closure, and transferability. Objective. We propose a framework whose downstream step from program-induced operator algebra to MetaPattern set is mechanical and provable, while the upstream curation of the algebra is a stated empirical hypothesis with explicit scope precondition. Method. NOETHER is a two-layer framework. The upstream layer is an eight-block decomposition over recurrent mathematical structures (symmetry, order, self-adjoint, time-reversal, limit, qualitative-dynamics, method-comparison, relational equivalence). The downstream CONSTRUCT-MP algorithm produces a MetaPattern set with algebraic-closure (Theorem 1) and polynomial-time decidability (Theorem 2) guarantees. We test the framework on three operator-algebraic domains. Results. On Boltzmann reactor physics NOETHER systematises a prior inductive catalogue; on equivariant ML it derives executable MRs for rotation invariance, adjoint duality, and training-trajectory reversibility; on relational query optimisers it exercises the relational-equivalence block. The central falsifiable prediction (L*-blindness on homogeneity-preserving mutators) holds on the in-scope substrate. The absolute-completeness conjecture (Theorem 1') is falsified on PWR core diffusion via two pairwise-independent counterexamples that identify five Translate-extension dimensions. Conclusion. Induction is relocated from per-program MR sampling to a per-domain algebraic layer; the downstream step is deductive and mechanical.
Authors: Wei Duan, Junyu Xuan, En Yu, Xiaoyu Yang, Jie Lu
Abstract: Coordination graphs are a central abstraction in cooperative multi-agent reinforcement learning (MARL), yet existing sparse-graph learners lack a theoretically grounded mechanism to decide which edges should exist and how much information each edge should carry. Current methods rely on heuristic criteria that offer no formal guarantee on the learned topology, and no principled way to allocate different communication capacities to structurally different agent relationships. To address this, we propose Heterogeneous Information-Bottleneck Coordination Graphs (HIBCG), which learns a group-aware sparse graph in which both edge existence and message capacity are theoretically justified. With the graph information bottleneck (GIB) serving as the underlying tool, HIBCG first constructs a group-aligned block-diagonal prior that provides a closed-form criterion for edge retention -- determining which edges should exist and at what density per group block -- and then controls per-agent feature bandwidth on the resulting topology, compressing messages to retain only task-relevant content. We prove that the group-aligned prior strictly tightens the variational bound on topology learning, that the objective decomposes per group block, enabling differential edge control, and that capacity allocation follows a water-filling principle.
Authors: Jibin Joseph
Abstract: This paper presents MiniGPT, a compact from-scratch implementation of GPT-style autoregressive language modeling in PyTorch. The aim is to rebuild the core GPT pipeline from first principles after studying the design of nanoGPT by Andrej Karpathy, while keeping the model and training code independently written in a single notebook. MiniGPT implements token and positional embeddings, causal multi-head self-attention, pre-LayerNorm Transformer blocks, residual connections, feed-forward MLP layers, next-token cross-entropy training (teacher forcing), validation tracking, checkpoint selection, and autoregressive text generation. This paper evaluates the implementation on Tiny Shakespeare dataset using character-level tokenization. A baseline 0.83M-parameter model reaches a validation loss of 1.7236 after 3000 training iterations. A stronger 10.77M-parameter configuration, using a larger context length and improved training settings, reaches a best validation loss of 1.4780 and generates text with recognizable Shakespeare-style dialogue structure. MiniGPT does not introduce a new language-model architecture. Instead, it documents a clear and reproducible implementation path from raw text to trained character-level generation, including design choices, training behavior, generation quality, and practical limitations.
Authors: Chiharu Shima, Haruki Yonekura, Fukuharu Tanaka, Tatsuya Amano, Hirozumi Yamaguchi
Abstract: We propose a framework for predicting the effects of mobility introduction measures using a human-flow digital twin. This digital twin incorporates a multi-agent simulator that can represent how visitors choose destinations depending on factors such as their current location and the attractiveness of spots. We extract data on how visitors selected destinations with respect to measured pre-intervention human-flow data, inter-spot distances, spot attractiveness, and travel volumes, and use these data to train each agent's decision model of this simulator. The trained decision model is a function that takes a visitor's current state and surrounding environmental information as input and outputs which spot the visitor will move toward next. By expressing mobility introduction measures as changes to inter-point distances or to spot attractiveness, the framework can reproduce human flows with mobility introduction in the multi-agent simulator and thereby quantify effects such as changes in visitor counts and circulation. We evaluated the proposed method using human-flow data measured with and without introducing mobility within Wakayama Castle Park in Japan. When reproducing flows with mobility introduction using a multi-layer perceptron decision model, the cosine similarity of the spatial population distribution exceeded 0.7, confirming that the approach can replicate the flow changes caused by the mobility introduction.
Authors: Meng Li (School of Computing, University of South China, Hengyang, 421001, China, Hunan Engineering Research Center of Software Evaluation and Testing for Intellectual Equipment, Hengyang, 421001, China, CNNC Key Laboratory on High Trusted Computing, Hengyang, 421001, China), Xiaohua Yang (School of Computing, University of South China, Hengyang, 421001, China, Hunan Engineering Research Center of Software Evaluation and Testing for Intellectual Equipment, Hengyang, 421001, China, CNNC Key Laboratory on High Trusted Computing, Hengyang, 421001, China), Jie Liu (School of Computing, University of South China, Hengyang, 421001, China, Hunan Engineering Research Center of Software Evaluation and Testing for Intellectual Equipment, Hengyang, 421001, China, CNNC Key Laboratory on High Trusted Computing, Hengyang, 421001, China), Shiyu Yan (School of Computing, University of South China, Hengyang, 421001, China, Hunan Engineering Research Center of Software Evaluation and Testing for Intellectual Equipment, Hengyang, 421001, China, CNNC Key Laboratory on High Trusted Computing, Hengyang, 421001, China)
Abstract: Context. Metamorphic Testing addresses the test-oracle problem in scientific computing, but classical Mutation Score operates on syntactic AST mutations and misses domain semantics. Objective. We propose the Semantic Mutation Score (SMS), built on five domain-semantic operators (Conservation Erosion, Operator Substitution, Hyperparameter, Trajectory Flip, Structural Injection). SMS degenerates almost everywhere to MS in a characterised limit, so any SMS-based conclusion remains consistent with prior mutation-testing literature in the classical regime. Method. A 12-PUT x 5-MP design over four single-output float-to-float classes (numeric, probabilistic, surrogate, machine-learning) is paired with a three-layer attribution classifier separating true semantic faults from tolerance, OOD, statistical, and artefact categories. A same-source / cross-source ablation under an identical prompt isolates the LLM-source-diversity contribution. LLM-generated mutants are compared against a default-configuration cosmic-ray syntactic pool at the AST-normalised level. Results. The pre-registered large-effect threshold for Cliff's delta is not met under the point-estimate criterion; the observed effect lies in the medium-effect range. Cross-source pooling under an identical prompt does not appreciably shift delta, indicating that LLM identity is not the lever within this design. AST-level overlap between LLM-generated and default cosmic-ray syntactic mutants is small; the Hyperparameter, Structural Injection, and Trajectory Flip classes are unreachable under default first-order syntactic configurations. Conclusion. SMS is a backward-compatible adequacy metric for domain-semantic metamorphic-relation sets in scientific computing. The first-order unreachability evidence is independent of the effect-size question.
Authors: Seungmin Jin
Abstract: We introduce Residual Semantic Decomposition (RSD), a neural additive decomposition of word embeddings that balances embedding reconstruction with relational structure preservation. RSD supports recursive binary decomposition: each $K=2$ fit extracts a local semantic axis, while residuals expose information not absorbed by that axis. In manually specified paired-context diagnostics over ambiguous words, RSD separates supplied context anchors above shuffled-label controls, but entropy diagnostics show that ambiguous targets are not uniformly high-entropy boundary points in static GloVe. We therefore treat residual neighborhoods as qualitative diagnostics rather than benchmark sense predictions.
Authors: Sixu Lin, Yunpeng Qing, Litao Liu, Ming Zhou, Ruixing Jin, Xiaoyi Fan, Guiliang Liu
Abstract: Recent progress in Reinforcement Learning (RL) provides a principled approach to optimizing Vision-Language-Action (VLA) models, facilitating a shift from trajectory imitation to active learning in the task environment. Despite improvements in control precision, most RL optimizers remain task-specific, which reduces VLA models from generalist controllers to policies that overfit to a narrow set of tasks. In this study, we conduct an in-depth analysis of this phenomenon and highlight the importance of cross-task feature representations for improving the generalizability of VLA models. Motivated by this finding, we introduce DyGRO-VLA, a two-stage optimization framework that 1) effectively captures cross-task latent representations based on information-theoretic principles, and 2) dynamically refines policy optimization via a mixture-of-RL-residuals. DyGRO-VLA enables the RL optimizer to exploit task-relevant latent information while strategically mitigating adverse interference on the learned representations throughout the optimization process. We evaluate our approach on LIBERO, RoboTwin2 benchmarks, and further validate it on real world, demonstrating consistent improvements over strong baselines under multi-task training and distribution shift.
Authors: Jack Wilkie, Hanan Hindy, Christos Tachtatzis, Miroslav Bures, Robert Atkinson
Abstract: Network intrusion detection systems play a vital role in protecting networks by detecting malicious network traffic which can then be investigated by a cybersecurity operations centre. State-of-the-art approaches utilise supervised machine learning methods to train a classification model to recognise known cyberattacks; however, these models require a large labelled dataset to train and show poor performance when trained on smaller datasets. In an attempt to address this shortcoming, anomaly detection models learn the distribution of benign traffic and flag non-conforming traffic as malicious. While these methods do not require malicious examples to train, they suffer from high false-positive rates rendering them impractical. As a result, networks may be particularly vulnerable when there are insufficient labelled instances of a specific attack class to train an effective classifier. This often occurs in newly established networks or when previously unseen types of attacks emerge. To address this challenge, this work proposes the use of a triplet network, utilising online triplet mining and a KNN classifier, which is able to perform few-shot classification, enabling effective intrusion detection after being trained on a limited number of malicious examples. Various online triplet mining algorithms were explored and model design choices, such as the inference algorithm and optimised distance metrics, were compared and evaluated through a series of ablation studies. The final model was compared against other state-of-the-art approaches in few-shot binary and multiclass classification, where the proposed approach was found to be competitive with existing methods when trained on as little as 10 malicious samples of each class.
Authors: Tianyue Yang, Sandro Tacchella, Xiao Xue
Abstract: Understanding galaxy morphology evolution across cosmic time requires models that can generate realistic galaxy populations conditioned on redshift. In this work, we study efficient redshift-conditioned generative modeling for astrophysical image synthesis using diffusion models and pixel-MeanFlow. We first review the connections between score-based diffusion models, Flow Matching, one-step generative models, and modern diffusion samplers. We then evaluate DDPM, DDIM, DEIS-AB2, DPM++2M, and one-step pixel-MeanFlow on the GalaxiesML-64 dataset using morphology-based metrics, including ellipticity, semi-major axis, S\'ersic index, and isophotal area. Our results show a clear accuracy-efficiency trade-off: standard DDPM sampling achieves the best distributional fidelity but requires high computational cost, while second-order samplers substantially improve efficiency over DDIM. Pixel-MeanFlow enables single-step generation and achieves competitive performance on several morphology statistics, though it remains weaker than many-step DDPM for fine-grained structure. Our results demonstrate that one-step generative models can recover key galaxy morphology statistics at orders-of-magnitude lower computational cost, opening a path toward efficient conditional simulators for large cosmological surveys and simulation-based scientific inference.
Authors: Tanmay Asthana, Aman Saksena, Divyansh Sahu
Abstract: Frontier deep research agents (DRAs) plan a research task, synthesize across documents, and return a structured deliverable on demand. They are being deployed in enterprise workflows faster than they are being evaluated. Existing benchmarks measure factual recall, single-hop QA, or generic agentic skill, missing the multi-document, decision-grade work DRAs are deployed to produce. We introduce a benchmark targeting the structured analytical deliverables that fill a management consultant's typical week. We grade three frontier agents, namely Claude Opus 4.6 with web search, OpenAI o3-deep-research, and Google Gemini 3.1 Pro deep-research, on 42 SME-authored prompts. Each of the 126 responses is scored on two layers: deterministic ground-truth verifiers (mean 13.8 per task) and a five-criterion 0-3 SME rubric, composed into a Verifier-Rubric Score (VRS) on 0-100. Most prompts embed cognitive traps that penalize surface-pattern matching. Acceptance under our joint threshold (rubric mean >= 2.5 and verifier rate >= 80%) is uniformly low: Gemini 21.4%, o3 9.5%, Claude 9.5%. Mean VRS scores agree with published rubric-based benchmarks (our top 62.6 vs. APEX-v1 64.2, ProfBench 65.9, ResearchRubrics < 68%), validating the rubric construct. ACCEPT rates sit below APEX-Agents' MC-segment Pass@1 band (12.3-22.7%) on dedicated DR agents; our floor is three points lower despite the harness advantage, opened by stricter conjunctive grading and trap design. Each agent fails distinctively. Claude produces the deliverable most reliably (4.5x the others' rate on file-required tasks) but carries the highest fabrication signature. o3 has the cleanest reasoning average yet drops required sections and propagates arithmetic errors. Gemini is bimodal, with the highest acceptance rate alongside the most zero-scored rubric cells.
Authors: Zirui Guo, Quan Cheng, Da-Wei Zhou, Lijun Zhang
Abstract: Class-incremental learning (CIL) requires models to learn new classes sequentially while preserving prior knowledge. Recently, approaches that combine pre-trained models with mixture-of-experts (MoE) have received increasing attention in CIL: they typically expand experts during learning and employ a router to assign weights across experts. However, existing MoE methods often overlook routing drift induced by expert expansion. Once new experts are introduced, the router may reassign samples from earlier classes to newly added experts, thereby perturbing previously established expert compositions and causing interference even when old experts remain frozen. We argue that expandable MoE in CIL requires two complementary properties: stable old-class routing for knowledge preservation and sufficient capacity utilization for new-class adaptation. To this end, we propose Stable Routing for MoE (StaR-MoE), a routing-level framework for expandable MoE in CIL. By incorporating sensitivity-aware routing alignment, StaR-MoE aligns current old-class routing behavior with historical routing distributions through sensitivity-guided constraints. Complementarily, StaR-MoE introduces asymmetric capacity regularization to encourage effective utilization of the expanded expert pool without compromising class-specific routing specialization. Extensive experiments across four standard CIL benchmarks demonstrate that StaR-MoE consistently improves both average and last accuracy over state-of-the-art methods, highlighting the importance of stable routing.
Authors: Ebru Dagdelen, Catherin Neena Lalu, Aakash Karlekar, Manav Arora, Matthew Illingworth, Jonathan Jaquette, Linda Cummings, Lou Kondic
Abstract: Flow in porous media is difficult to address using standard analytical or numerical methods due to its complexity. However, since synthetic representations of porous media are easy to produce and data from physical experiments are becoming more widely available, the problem is well-suited to studies that include machine learning (ML) techniques. We discuss a number of features that can be extracted from such data, and their utility as input variables into a standard ML algorithm. These features include structural measures describing the geometry of the porous media, topological measures describing the connectivity, and network measures obtained by modeling the porous media as simplified pore networks. These features enable the prediction of the permeability of the considered (synthetic) porous materials using ML techniques that also leverage the separately computed exact permeability (ground truth). Comparing results obtained using different input variables helps develop a better understanding of the utility of various measures for predicting permeability based on the porous media structure. We show, in particular, that topological data analysis (TDA) provides a useful set of features that can be easily combined with ML to yield meaningful results.
Authors: Kuei-Chun Kao, Daixuan Huo, Yuanhao Ban, Cho-Jui Hsieh
Abstract: Aligning Text-to-Image (T2I) generation models with human preferences increasingly relies on image reward models that score or rank generated images according to prompt alignment and perceptual quality. Existing reward models are commonly trained as Bradley-Terry (BT) preference models on large-scale human preference corpora, making them costly to train, difficult to adapt, and opaque in their evaluation criteria. Meanwhile, Vision-Language Model (VLM) judges can provide more fine-grained assessments through textual rubrics, but their manually designed or heuristically generated scoring rules may fail to reliably reflect human preferences. In this paper, we propose AutoRubric-T2I, the first rubric learning framework in T2I that automatically synthesizes and selects explicit rubrics for guiding VLM judges. AutoRubric-T2I first synthesizes reasoning traces from preference pairs into candidate rubrics, then uses a VLM judge to score paired images under each rubric, producing pairwise rubric-score differences for preference learning. To remove noisy and redundant rules, we further employ a $\ell_1$-Regularized Logistic Regression Refiner, which selects the Top-$N$ most discriminative rubrics. Extensive evaluations show that AutoRubric-T2I produces high-quality, interpretable reward signals using less than 0.01% of the annotated preference data, substantially reducing the need for large-scale reward-model training. On image reward benchmarks such as MMRB2, AutoRubric-T2I outperforms strong reward model baselines. We further validate AutoRubric-T2I as an RL reward on downstream T2I tasks, including TIIF and UniGenBench++, where it improves generation quality over scalar reward models using the Flow-GRPO pipeline on diffusion models.
Authors: Yue Wang, Daniele Visioni
Abstract: High-resolution precipitation information is essential for climate impact assessment, yet global climate models remain too coarse to resolve key small-scale processes. Existing machine learning downscaling methods often require paired low- and high-resolution data for supervised learning, are tied to fixed regions or scale factors during inference, and can be computationally expensive to train and run in physical space. Here we introduce Longwang, a zero-shot latent generative framework for global spatiotemporal precipitation downscaling. Longwang learns a context-conditioned latent generative prior and combines it with a physically informed observation operator through posterior sampling, enabling daily O(10 km) precipitation fields to be generated from monthly O(100 km) inputs. On ERA5 reanalysis, Longwang outperforms standard posterior sampling with an unconditional generative prior in reconstructing fine-scale spatial patterns, preserving temporal coherence, and recovering extreme precipitation intensities. The framework further generalizes to historical climate simulations and future climate projections under substantial distribution shift.
Authors: Ahmad Nauman Ghazi, Nagajyothi Devarapalli, Ashir Javeed, Sadi Alawadi, Fahed Alkhabbas, Khalid AlKharabsheh
Abstract: Software fault prediction (SFP) is a critical task in software engineering, enabling early identification of faults in modules to improve software quality and reduce maintenance costs. This research investigates the combined effects of feature selection and parameter tuning on the performance of machine learning (ML) models for SFP. This study evaluates the interaction between feature selection methods, including correlation-based feature selection (CFS), recursive feature elimination (RFE), mutual information (MI), and L1 regularization, where hyperparameter tuning techniques such as grid search, randomized search, and genetic algorithm (GA) are used for optimization of ML algorithms, including random forest (RF), logistic regression (LR), and support vector machines (SVM) for optimized fault prediction performance. The combined application of CFS and GA yielded the highest accuracy, achieving 88.40% with RF, representing an improvement of 18% over baseline models without feature selection or tuning. Feature selection reduced dimensionality and identified critical attributes such as weighted methods per Class (WMC) and coupling between objects (CBO), while iterative parameter tuning optimized model alignment to these feature sets. Notably, the proposed methods demonstrated robustness, with minimal cross-validation variability (+-1.0%), and efficiency, reducing training times in univariate methods such as L1 regularization.
Authors: Jiayi Yao, Samuel Shen, Kuntai Du, Shaoting Feng, Dongjoo Seo, Rui Zhang, Yuyang Huang, Yuhan Liu, Shan Lu, Junchen Jiang
Abstract: The large size of the KV cache has become a major bottleneck for serving LLMs with increasing context lengths. In response, many KV cache compression methods, such as token dropping and quantization, have been proposed. However, almost all of these methods are inherently lossy-despite minimal accuracy degradation for short outputs, their outputs increasingly diverge from full-KV-cache outputs as more tokens are decoded, which leads to catastrophic failures in code generation and tool calling. We present VeriCache, the first inference framework that ensures the same output as full-KV-cache decoding but largely preserves the high decoding throughput of a range of KV cache compression algorithms. VeriCache uses the compressed KV cache to draft tokens, then verifies them against the full KV cache. While it may seem like just speculative decoding, VeriCache requires addressing a key system challenge to work-keeping the full KV cache out of GPU memory and minimizing the overhead of swapping it in for verification. The insight is two-fold: (1) compressed-KV decoding can be parallelized with full-KV swap, because one is HBM-bandwidth-bound and the other is PCIe/network-bound, and (2) the compressed KV cache often produces output similar to the full KV cache, allowing a long drafting horizon to amortize each full-KV swap. VeriCache applies to both long-context decoding and remote prefix caching, supports a broad family of token-dropping and quantization methods through a uniform compressor interface, and composes with traditional speculative decoding. Experimental results show that VeriCache achieves up to 4X higher throughput than full-KV inference while producing identical outputs.
Authors: Marten J. Finck, Niklas C. Koser, Sarker M. Mahfuz, Tameem Jahangir, Jon E. Wilhelm, Daniel Behme, Naomi Larsen, Wojtek Palubicki, Sylvia Saalfeld, S\"oren Pirk
Abstract: Intracranial aneurysms (IAs), characterized by unpredictable growth and risk of rupture, are a major cause of stroke and can lead to life-threatening hemorrhages with high mortality and long-term disability. With aging populations, the incidence and overall burden of cerebrovascular diseases are expected to increase, highlighting the need for scalable approaches to analyze complex medical data and improve population-level understanding of these conditions. While digital twins and deep learning offer promising avenues for improving diagnosis, prognosis, and treatment, their effectiveness is limited by the scarcity of large-scale, high-quality medical data and corresponding labels. We present Synthetic VAsculature (SynVA), a modular toolkit for vascular mesh generation and anatomically consistent aneurysm synthesis. SynVA combines novel flow-matching-based methods for generating healthy vessel meshes with learning-based approaches for anatomy-conditioned aneurysm mesh generation - aneurysms are computed from pre-existing vascular geometries rather than being generated in isolation. In addition, we introduce the SynVA procedural model for vascular and aneurysm synthesis based solely on physiological principles and statistical priors, which enables the generation of large-scale datasets (e.g., for the training of mesh-based generative models). To this end, we release a dataset of 50,000 fully labeled mesh samples for a variety of downstream vision tasks, such as semantic segmentation. Extensive quantitative and qualitative evaluations demonstrate that SynVA generates realistic vessel geometries and anatomically plausible aneurysms. Specifically, our experiments indicate that some methods produce aneurysm shapes more aligned with expert human perception while others perform better on quantitative similarity metrics with reconstructions of real aneurysms.
Authors: Miquel Mart\'i i Rabad\'an, Alessandro Pieropan, Hossein Azizpour, Atsuto Maki
Abstract: We investigate the potential of invariant and equivariant semi-supervised learning for addressing the challenges of training multi-task models on partially labeled datasets with differently structured output tasks. Specifically, we use the popular FixMatch method for invariant semi-supervised learning and its equivariant extension Dense FixMatch. We evaluate their performance on the Cityscapes and BDD100K datasets in the context of the prevalent object detection and semantic segmentation tasks in computer vision. We consider varying sizes of the subsets annotated for each task and different overlaps among them. Our results for both invariant and equivariant semi-supervised learning outperform supervised baselines in most situations, with the most significant improvements observed when fewer labeled samples are available for a task and generally better results for the latter approach. Our study suggests that invariant/equivariant learning is a promising general direction for multi-task learning from limited labeled data.
Authors: Foma Shipilov, Alexander Barnyakov, Artem Ivanov, Fedor Ratnikov
Abstract: A fast simulation of the detector response is a vital task in high-energy physics (HEP). Traditional Monte-Carlo methods form the backbone of modern particle physics simulation software but are computationally expensive. We present a machine-learning-based approach to fast simulation of the Focusing Aerogel Ring Imaging Cherenkov (FARICH) detector response. Given a particle track and momentum, the goal is to generate realistic samples of photon hits on the detector matrix. We propose a conditional Generative Adversarial Network (cGAN) with a lightweight convolutional architecture that reproduces the projected detector response conditioned on particle parameters. We compare the cGAN against a linear statistical baseline using metrics applied to probability maps and to the reconstructed velocity distributions. The cGAN produces realistic samples and provides a significant speed-up over Monte-Carlo simulation.
Authors: Rapha\"el Barboni, Maarten V. de Hoop, Takashi Furuya, Gabriel Peyr\'e
Abstract: Transformers have become the dominant architecture in modern machine learning, yet the theoretical understanding of their training dynamics remains limited. This paper develops a rigorous mathematical framework for analyzing gradient-based training of transformers in the mean-field regime, where both the depth (number of layers) and width (number of attention heads) tend to infinity. While ResNet training can be understood as controlling a neural ODE, transformer training corresponds to controlling a neural PDE, due to the coupling of multiple token distributions through the attention mechanism. Our mean-field model features two types of measure representations: token distributions evolving through layers and attention parameters at each layer. We establish well-posedness of the forward pass through infinitely deep transformers, characterizing token evolution via flow maps that satisfy ODEs in function spaces. Using adjoint sensitivity analysis, we derive an explicit formula for the conditional Wasserstein gradient of the training risk, involving adjoint variables governed by backward ODEs. We prove the existence and uniqueness of gradient flow curves in the conditional Wasserstein metric space, establishing a rigorous foundation for gradient-based transformer training. A key technical contribution is providing necessary and sufficient conditions for injectivity of the Neural Tangent Kernel (NTK) for attention mechanisms: we show that NTK injectivity is equivalent to linear independence of log-sum-exp functions modulo affine functions, a condition satisfied by diverse token distributions, including discrete distributions, uniform distributions, and Gaussian mixtures. Under this NTK injectivity assumption, we prove that gradient flow converges to global minima when the initial loss is sufficiently small, eliminating spurious local minima from the optimization landscape.
Authors: Artemy Rubtsov, Rahul Singh, Eric Moulines, Alexey Naumov, Sergey Samsonov
Abstract: In this paper, we derive rates of convergence in the high-dimensional central limit theorem for Polyak--Ruppert averaged iterates generated by entropy-regularized asynchronous Q-learning with linear function approximation and a polynomial stepsize $k^{-\omega}$, $\omega \in (1/2,1)$. Assuming that the sequence of observed triples $(s_k,a_k,s_{k+1})_{k \geq 0}$ forms a uniformly geometrically ergodic Markov chain, and under suitable regularity conditions for the projected soft Bellman equation, we establish a Gaussian approximation bound in the convex distance with rate of order $n^{-1/4}$, up to polylogarithmic factors in $n$, where $n$ is the number of samples used by the algorithm. To obtain this result, we combine a linearization of the soft Bellman recursion with a Gaussian approximation for the leading martingale term. Finally, we derive high-order moment bounds for the algorithm's last iterate, which might be of independent interest.
Authors: Daohong Tu, Kay Giesecke
Abstract: Panel data, in which multiple units are repeatedly observed over time, arise throughout science and engineering. Quantifying predictive uncertainty in such settings is challenging because conformal prediction, while distribution-free and model-agnostic, classically relies on exchangeability assumptions that fail under temporal dependence and unit heterogeneity. We propose a simple online conformal framework for non-exchangeable panel data. The method exploits a key feature of online panel prediction: when a forecast is required for one unit, contemporaneous outcomes from related units may already be observed and can serve as a calibration panel. At each round, prediction sets are formed using currently observed calibration units together with two adaptive quantities: history-based similarity weights that emphasize calibration units resembling the target, and an adaptive miscoverage level that is updated whenever target feedback is revealed. This two-state design yields a stepwise coverage bound and a long-run coverage guarantee. Empirically, across synthetic and real panel data sets, the method improves coverage on the worst-covered target units through adaptive interval-width allocation rather than uniform inflation. The two states are complementary: similarity weights protect coverage when target feedback is sparse, while the adaptive level further improves coverage as feedback accumulates.
Authors: Jo\~ao Lobo, Bruno Loureiro, Long Tran-Than, Fanghui Liu
Abstract: Feature learning is widely regarded as the key mechanism distinguishing neural networks from fixed-kernel methods, yet its impact on the induced function space remains poorly understood. In this work, we precisely characterize how the function space spanned by the features of a two-layer neural network evolves during gradient descent training. We prove that, in the high-dimensional proportional regime, after a large gradient step the post-update feature distribution is well approximated by a target-dependent spiked Gaussian covariance. This induces a data-adaptive kernel that reshapes the function space and modifies its spectral structure. Our analysis reveals that feature learning can be interpreted as a distributional transformation in either parameter space or input space, equivalently as the introduction of a target-dependent kernel. In particular, it selectively amplifies eigenvalues aligned with the target direction and mixes leading eigenfunctions, coupling the top radial mode with a target-aligned quadratic harmonic. Overall, our results provide a precise function-space perspective on early-stage feature learning: rather than just rescaling a fixed kernel, gradient descent induces a data-adaptive deformation that preferentially enhances directions aligned with the signal in the data.
Authors: Mathias Mesfin
Abstract: This paper compares gradient boosting and long short-term memory (LSTM) architectures for intraday directional prediction in Micro E-Mini Nasdaq 100 futures (MNQ). Motivated by recent foundation-model research on financial candlestick data, including the Kronos architecture, we test whether five-minute OHLCV bar sequences contain exploitable sequential predictive structure at the scale of a single instrument dataset. Using 944 trading days from 2021-2025, four model configurations are evaluated under strict expanding-window walk-forward validation across three out-of-sample periods. The target variable is whether the session close exceeds the 10:30 AM open by more than ten points. No configuration produces statistically significant out-of-sample accuracy above the 51.8% base rate. Combined OOS accuracies range from 50.00% to 50.89% across gradient boosting variants, while the LSTM achieves 50.59%. Permutation tests yield p-values of 0.135 for the best gradient boosting model and 0.515 for the LSTM, indicating no statistically significant predictive edge. Feature importance instability across walk-forward folds suggests noise fitting rather than stable structural signal capture. The results indicate that four years of single-instrument five-minute OHLCV data are insufficient for reliable sequential ML-based intraday forecasting. The primary contribution is a documented evaluation of a Kronos-inspired architecture on a constrained real-world dataset, providing an empirical lower bound on data scale requirements for sequential financial ML.
Authors: Danu Kim
Abstract: Deep learning models achieved high accuracy in pneumonia detection from chest X-rays. However, their generalization across clinical domains remains limited due to variations in imaging devices, acquisition protocols, and institutional conditions. This study introduces a replay-based domain-incremental continual learning designed to enable continual adaptation to cross-domain variations without catastrophic forgetting. The proposed method incorporates a class-aware balanced replay to maintain balanced class representation within a constrained memory and a class-aware loss to dynamically reweight class imbalance during training. Experiments conducted on a domain-shifted PneumoniaMNIST dataset consisting of five simulated domains demonstrate that the proposed method achieves an average accuracy of 88.66%, outperforming Experience Replay, Fine-Tuning, and Joint Training baselines. These findings highlight the efficacy of the proposed approach in achieving robust and consistent pneumonia detection across clinical environment variations.
Authors: Yimeng Min, Carla P. Gomes
Abstract: The promise of Rectified Flow rests on producing self-generated couplings whose trajectories are straight, or nearly so. In practice, trajectories generated by the base flow model can bend and intertwine, and the resulting coupling inherits this distortion. In this paper, we identify that such trajectory entanglement is often associated with regions of nonzero divergence in the learned velocity field, where local expansion or contraction distorts trajectories and steers particles away from their ideal endpoints. We then propose divergence-suppressing couplings for Rectified Flow, an offline correction that attenuate the divergent component of the learned velocity during coupling generation. The correction is paid only once per coupling pair and amortized over training, so deployment runs plain Euler at identical wall-clock cost to standard Rectified Flow. Empirically, this offline modification yields consistent improvements on 2D synthetic benchmarks and on image generation.
Authors: Mehmet Aktukmak, Daniel Huang, Ke Ding
Abstract: Quantization is essential for reducing the computational cost and memory usage of deep neural networks, enabling efficient inference on low-precision hardware. Despite the growing adoption of uniform and floating-point quantization schemes, selecting optimal quantization parameters remains a key challenge, particularly for diverse data distributions encountered during training and inference. This work presents a novel statistical error analysis framework for uniform and floating-point quantization, providing theoretical insight into error behavior across quantization configurations. Building on this analysis, we propose iterative quantizers designed for arbitrary data distributions and analytic quantizers tailored for Gaussian-like weight distributions. These methods enable efficient, low-error quantization suitable for both activations and weights. We incorporate our quantizers into quantization-aware training and evaluate them across integer and floating-point formats. Experiments demonstrate improved accuracy and stability, highlighting the effectiveness of our approach for training low-precision neural networks.
Authors: Kaichuan Kong, Dongjie Liu, Xiaobo Jin, Guanggang Geng
Abstract: Insider threats often reveal early anomalies through disruptions in behavioral statistics-such as altered recurrence patterns or short-versus long-term frequency shifts-rather than changes in event semantics. Yet, as the field has shifted from statistical modeling to log tokenization and deep sequential encoders, these statistical cues are weakened or lost, leaving current models insensitive to gradual and low-visibility insider behaviors.We propose MV-Gate, a multi-view behavior modeling framework that explicitly integrates statistical regularities with sequence semantics. MV-Gate constructs three aligned behavioral sequences: activity tokens, multi-scale status signals capturing recurrence patterns, and frequency-deviation signals describing short- vs long-term intensity differences. An anomaly-aware gating mechanism injects these statistical views into the attention computation, guiding the encoder to emphasize statistically irregular events. Experiments on CERT r4.2, CERT r5.2, and ADFA-LD show that MV-Gate achieves notable gains over classical, deep-learning, and domain-specific baselines, particularly for progressive, weak-signal threats. These results highlight the necessity of jointly modeling statistical and sequential evidence for robust insider-threat detection.
Authors: Behrad Moniri, Hamed Hassani
Abstract: We study feature learning in two-layer neural networks within the linear-width regime, where the number of hidden neurons, sample size, and input dimension scale proportionally. While recent work has analyzed feature learning via a single step of gradient descent, such updates are fundamentally limited: they are approximately rank-one, capturing only a single direction, and require the target function to have an information exponent of one. In this paper, we go beyond one-step updates to provide a full characterization of the features learned during the second step of gradient descent with step-sizes $\eta_1 \asymp N^{\alpha_1}$ and $\eta_2 \asymp N^{\alpha_2}$ for $\alpha_1, \alpha_2 \in [0,0.5)$. We derive a sharp spectral characterization of the updated weights, demonstrating they behave as a spiked random matrix with multiple outliers, each corresponding to a learned direction. We show that the number of these outliers is determined by the scaling parameters $\alpha_1$ and $\alpha_2$ through $\lfloor \frac{\alpha_2}{1/2 - \alpha_1} \rfloor$. Furthermore, by analyzing the alignment between these learned directions and the target function, we identify a qualitative gap between training with independent versus reused batches. While independent batches restrict learning to directions with an information exponent of one, batch reuse enables the second update to capture directions even when the information exponent exceeds one, under the condition that $\alpha_1, \alpha_2$ are chosen properly. This confirms that the benefits of batch reuse, previously observed in finite-width regimes, persist in the high-dimensional linear-width limit. By characterizing these early-phase spectral transitions, our work establishes a tractable mathematical framework for studying optimization and feature learning phenomenology in modern overparameterized networks.
Authors: Radu Lecoiu, Debarghya Mukherjee, Pragya Sur
Abstract: Self-distillation has emerged as a promising technique for improving model performance in modern machine learning systems. We develop the statistical foundations of self-distillation in spiked covariance models, by introducing and analyzing a broad class of estimators, namely spectral shrinkage estimators. We establish that for spiked covariance matrices with $s$ spikes, $s$-step self-distillation achieves optimal performance among spectral shrinkage estimators, outperforming well-known estimators in statistics and machine learning. Moreover, we show that $s$ steps are necessary for optimality: any $(s-k)$-step distilled estimator is strictly suboptimal for $1 \leq k \leq s$. For the special subclass of isotropic covariances, we show that optimally tuned Ridge regression performs best among spectral shrinkage estimators. We also study a federated approach where multiple data centers share spectral shrinkage estimators and a common server seeks to aggregate them to achieve optimal performance. In this case, we find that the best local rule again takes the form of self-distillation, though it differs from the optimal rule when data are hosted centrally on a single server. Together, our results elucidate why self-distillation improves predictive performance and provide a broader statistical framework connecting it with classical shrinkage-based methods.
Authors: Bob Junyi Zou, Sai Li, Tianyun Sun, Wentao Guo, Qinglei Wang
Abstract: A fundamental challenge in recommender systems is balancing reliability for Low-Active Users (LAUs) with diversity for High-Active Users (HAUs). The key to this balance lies in quantifying model uncertainty, which approximates the risk of prediction errors and reveals the limits of the model's current knowledge. On large-scale short-video and livestream platforms, model uncertainty can warn of low-quality recommendations that may lead to disengagement of LAUs and at the same time identify opportunities to diversify content recommendation for HAUs. To leverage this dichotomy, we introduce a unified, production-ready framework that calibrates uncertainty to drive differentiated strategies. Specifically, we implement a model-uncertainty-based risk-averse deboosting policy for LAUs to suppress unreliable recommendations, while employing a risk-seeking Upper Confidence Bound (UCB) strategy for HAUs to encourage exploration. Validated on a major livestream platform, our framework demonstrates significant improvements in retention (active hours) and satisfaction (quality watch time ratio) for LAUs as well as remarkable increases in interest diversity and category coverage for HAUs, proving the value of uncertainty-aware recommendation in industrial settings.
Authors: Ningkang Peng, Xuanming Chen, Yanhui Gu
Abstract: Long-tailed out-of-distribution (LT-OOD) detection is often addressed with specialized training, including auxiliary out-of-distribution (OOD) data, abstention heads, contrastive objectives, energy losses, or gradient-conflict control. We show that these training mechanisms can obscure a simpler issue: frozen long-tailed representations may already contain useful OOD evidence, but raw Mahalanobis distance is distorted by frequency-coupled feature radius and poorly supported tail covariance. We propose Hyperspherical Pooled Mahalanobis (HPM), a post-hoc detector that normalizes features onto the unit sphere and replaces class-specific covariance with a pooled, ridge-regularized metric while keeping class means as semantic anchors. In CIFAR-LT experiments and an ImageNet-100-LT near-OOD boundary analysis, HPM improves raw Mahalanobis scoring; for Prior-Calibrated ERM (PC-ERM), it raises AUROC from 46.49 to 85.67 on CIFAR-10-LT and from 50.40 to 78.35 on CIFAR-100-LT. This simple PC-ERM+HPM pipeline also achieves the best Log Efficiency Score (LES; 3.08) on CIFAR-100-LT, retaining roughly 95% of the best CIFAR-100-LT AUROC observed among the compared post-hoc scores at substantially lower training-time cost. These results argue for evaluating representation quality, detector geometry, and training complexity as separate factors in LT-OOD detection.
Authors: Zichun Yu, Chenyan Xiong
Abstract: LLM pretraining is shifting from a compute-bound to a data-bound regime, where available human (organic) text falls far short of scaling demands. However, reaching the data-bound regime does not mean the model has fully utilized its organic corpus. In this paper, we introduce SynPro, a synthetic data generation framework that helps LLMs more thoroughly learn from limited organic data. SynPro applies two operations, rephrasing and reformat, that present the same organic source in diverse forms to facilitate deeper learning without introducing external information. Both generators are optimized via reinforcement learning with quality, faithfulness, and data influence rewards, and are continuously updated as pretraining plateaus to target content the model has yet to absorb. We pretrain 400M and 1.1B models with 10% of their Chinchilla-optimal tokens (0.8B and 2.2B) from DCLM-Baseline, reflecting a realistic data-bound regime in frontier pretraining. Our results reveal that organic data is significantly underutilized by standard repetition: SynPro unlocks 3.7-5.2x the effective tokens of repetition, even surpassing the non-data-bound oracle that trains on equivalent unique data at the 1.1B scale. Analyses confirm that faithful, model-aware synthesis sustains data-bound scaling without causing distribution collapse. We open-source our code at https://github.com/cxcscmu/SynPro.
Authors: Chenyang Wang, Weizhong Wang, Yinuo Ren, Jose Blanchet, Yiping Lu
Abstract: iffusion-based generative models increasingly rely on inference-time guidance, adding a drift term or reweighting mixture of experts, to improve sample quality on task-specific objectives. However, most existing techniques require repeated score or gradient evaluations, introducing bias, high computational overhead, or both. We introduce \texttt{URGE}, Unbiased Resampling via Girsanov Estimation, a derivative-free inference-time scaling algorithm that performs path-wise importance reweighting via a Girsanov change of measure. Instead of computing gradient-based particle weights in previous work, \texttt{URGE} attaches a simple multiplicative weight to each simulated trajectory and periodically resamples. No score, no Hessian, and no PDE evaluation is required. We establish an equivalence between path-wise and particle-wise SMC: the Girsanov path weight admits a backward conditional expectation that recovers the previous particle-level weights, guaranteeing that both schemes produce the same unbiased terminal law. Empirically, \texttt{URGE} outperforms existing inference-time guidance baselines on synthetic tests and diffusion-model benchmarks, achieving better generation quality, while being significantly simpler to implement and fully gradient-free.
Authors: Jiayi Shao, Jiaying Ye, Shengyao Liu, Zachary Englhardt, Girish Narayanswamy, Vikram Iyer, Qiuyue Shirley Xue
Abstract: Wearables are widely used for mobile health monitoring, and photoplethysmography (PPG) is a key sensing modality for heart rate and related physiological measurements. However, public in-the-wild PPG datasets remain largely wrist-centric or limited to short, controlled studies, constraining research on emerging wearable form factors. We present Multi-site PPG, an in-the-wild physiological dataset collected from four custom-developed unobtrusive wearables: a smart earring, ring, watch, and necklace. Each device records green and infrared reflective PPG, 3-axis acceleration, and temperature with timestamps for cross-device alignment, while a Polar H10 chest strap provides reference electrocardiogram (ECG). Participants wore the devices for multiple days during daytime activities while continuing their normal routines. The dataset contains over 350 hours of raw data and 230-290 hours of modeling-ready 8-second windows per wearable. We benchmark heuristic, supervised, and self-supervised heart-rate estimation methods, showing substantial body-site differences: the best methods achieve mean absolute errors (MAEs) of 2.30 bpm on the earring, 5.13 bpm on the ring, 8.37 bpm on the watch, and 8.68 bpm on the necklace. We further analyze motion effects and evaluate multi-site and PPG-accelerometer fusion, demonstrating the dataset's value for robust physiological sensing across emerging wearable form factors.
Authors: Guanliang Liu, Abhinandan Patni, Congzhu Lin, Zoe Zeng, Jack Wittmayer, Josh Wu, Ashvin Nihalani, Binxuan Huang, Yinghong Liu, Rory Na, Anthony Ko, Alexander Zhipa, Cong Cheng, Mi Sun, Vijay Rajakumar, Rejith George Joseph, Parthasarathy Govindarajen
Abstract: Training frontier-scale foundation models involves coordinating tens of thousands of GPUs over multi-month runs, where even minor performance degradations can accumulate into substantial efficiency losses. Existing health-check mechanisms, such as NCCL tests or GPU burn-in, primarily focus on functional correctness and often fail to detect fail-slow behaviors that silently degrade system performance. In this paper, we present Guard, a scalable system for detecting stragglers and ensuring node health in large-scale training clusters. Guard combines lightweight online performance monitoring during training with an offline node-sweep mechanism that systematically evaluates and qualifies nodes before they participate in production workloads. This design enables Guard to detect both acute failures and long-running fail-slow behaviors that traditional diagnostics cannot capture. Deployed on large-scale foundation model pretraining workloads, Guard improves mean FLOPs utilization by up to 1.7x, reduces run-to-run training step variance from 20% to 1%, increases mean time to failure (MTTF), and significantly reduces operational and debugging overhead. These results demonstrate that proactive straggler detection and systematic node qualification are critical for maintaining stable and efficient large-scale training.
Authors: Bo Chen, Yitong Fan, Jie Yao, Weipeng Li
Abstract: Long-horizon prediction of three-dimensional (3D) wall-bounded turbulence with machine-learning methods remains a challenging task, due to the rapid accumulation of autoregressive errors and the substantially computational cost. To address these challenges, we present a hybrid machine-learning framework, in which a channel-time-attention Swin-UNet (CTA-Swin-UNet) and a multi-time-scale fusion correction (MTFC) strategy are developed to predict the turbulent flow fields in a wall-parallel plane, with affordable computational cost. Then, 3D flow fields are reconstructed via a resolvent-based spectral linear stochastic estimation (SLSE), rooting from the predicted planar flow. Results show that the CTA-Swin-UNet outperforms the baseline models (LSTM, FNO and traditional Swin-UNet) in both single-step prediction and autoregressive rollouts, indicating the effectiveness of introducing the CTA module into the Swin-UNet architecture. At the same temporal interval, the CTA-Swin-UNet remains stable for approximately 150 rollout steps, while the baseline models fail within 20 to 50 rollout steps. After introducing the MTFC strategy, a longer horizon upto 300 steps is achieved. Using the resolvent-based SLSE reconstruction further recovers the 3D flow structures and energy spectral distributions from the predicted planar inputs, which demonstrates that the proposed framework provides an effective and computationally efficient approach for long-horizon autoregressive prediction of 3D wall-bounded turbulence.
Authors: Yucheng Guo, Yongjian Guo, Zhong Guan, Haoran Sun, Wen Huang, Wanting Xu, Jing Long, Shuai Di, Junwu Xiong
Abstract: In video generation models, particularly world models, training large-scale video diffusion Transformers (such as DiT and MMDiT) poses significant computational challenges due to the extreme variance in sequence lengths within mixed-mode datasets. Existing bucket-based data loading strategies typically rely on "equal token length" constraints. This approach fails to account for the quadratic complexity of self-attention mechanisms, leading to severe load imbalance and underutilization of GPU resources. This paper proposes \textit{AdaptiveLoad}, an integrated optimization framework consisting of two core components: (1) A dual-constraint adaptive load balancing system, which eliminates long-sequence bottlenecks by simultaneously limiting memory consumption and computational load ($B \times S^p \le M_{\text{comp}}$); (2) A fused LayerNorm-Modulate CUDA kernel, which utilizes a D-tile coalesced reduction strategy to increase throughput and alleviate memory pressure. Experimental results on the Wan 2.1 world model demonstrate that our method reduces the computational imbalance rate from 39\% to 18.9\%, improves peak VRAM utilization efficiency by 22.7\%, and achieves an overall training throughput increase of 27.2\%.
Authors: Benedict Florance Arockiaraj, Richard Chang, Wesley Yee
Abstract: Transfer Learning, a technique where a model/agent can use the knowledge/expertise that it gained from one task and exploit that to solve another closely-related task, is often used in tackling problems in deep learning. Through this project, we explore transfer learning in the purview of deep reinforcement learning. Specifically, we want to use transfer learning to achieve the fast lap times in OpenAI's Car racing environment by training the agent on one circuit, and racing it on other customized target environments by zero-shot transfer or by additional fine-tuning. In addition, we compare the performance of model-based and model-free approaches, and observe that model-based approaches dominate in performance and converge faster than model-free approaches in this environment. We observe that transfer learning in most setups not only boosts the performance on the target domain, but also shows high performance ability during learning.
Authors: Benedict Florance Arockiaraj, Alexander Feng, Jianxiong Cai, Xiaoyu Cheng
Abstract: Recent works have illustrated that modern NLP models trained for diverse tasks ranging from sentiment analysis to language generation succumb to universal adversarial attacks, a class of input-agnostic attacks where a common trigger sequence is used to attack the model. Although these attacks are successful, the triggers generated by such attacks are ungrammatical and unnatural. Our work proposes a novel technique combining parts-of-speech filtering and perplexity based loss function to generate sensible triggers that are closer to natural phrases. For the task of sentiment analysis on the SST dataset, the method produces sensible triggers that achieve accuracies as low as 0.04 and 0.12 for flipping positive to negative predictions and vice-versa. To build robust models, we also perform adversarial training using the generated triggers that increases the accuracy of the model from 0.12 to 0.48. We aim to illustrate that adversarial attacks can be made difficult to detect by generating sensible triggers, and to facilitate robust model development through relevant defenses.
Authors: Lingtao Mao, Huangyu Dai, Xinyu Sun, Zihan Liang, Ben Chen, Chenyi Lei, Wenwu Ou
Abstract: Multimodal large language models are increasingly used as agent backbones that understand multimodal inputs, plan retrieval actions, invoke external tools, and reason over retrieved information. Yet existing benchmarks rarely evaluate this ability in short-video applications, where a paused frame is often visually ambiguous and answering requires vertical, long-tail, and fast-evolving domain knowledge. We introduce SVFSearch, the first open benchmark for short-video frame search in the Chinese gaming domain. SVFSearch contains 5,000 four-choice test examples and 4,198 auxiliary training examples, each centered on a paused game scene from a real short-video clip. To support fair and reproducible evaluation, SVFSearch provides a frozen offline retrieval environment with a game-domain text corpus, a topic-linked image gallery, and text, image, and multimodal retrieval interfaces, avoiding reliance on uncontrolled web search APIs. We evaluate representative paradigms ranging from direct QA and RAG workflow to Plan-Act-Replan agents and learned search models. Results reveal a large gap between model-only answering, practical agentic search, and oracle knowledge: the best open-source direct-QA model reaches 66.4%, the best practical agent achieves 79.1%, and oracle knowledge reaches 95.4%. Further analysis exposes bottlenecks in visual grounding, retrieval quality, evidence-grounded reasoning, and tool-use behavior, including over-search, answer-only shortcuts, and retrieval-induced misleading.
Authors: Hyun Lee, Hyemin Jeong, Yejin Kim, Hyungwook Choi, Hyunsoo Cho, Soo Kyung Kim, Joonseok Lee
Abstract: Modern multimodal large language models (MLLMs) typically keep the language model fixed and train a visual projector that maps the pixels into a sequence of tokens in its embedding space, so that images can be presented in essentially the same form as text. However, the language model has been optimized to operate on discrete, semantically meaningful tokens, while prevailing visual projectors transform an image into a long stream of continuous and highly correlated embeddings. This causes the visual tokens to behave differently from the word-like units that LLMs are originally trained to understand. We propose a novel Disentangled Visual Tokenization (DiVT) that clusters patch embeddings into coherent semantic units, so each token corresponds to a distinct visual concept instead of a rigid grid cell. DiVT further adapts its token budget to image complexity, providing an explicit accuracy-compute trade-off modifying neither the vision encoder nor the language model. Across diverse multimodal benchmarks, DiVT matches or surpasses baselines with significantly fewer visual tokens, demonstrating robustness under limited token budgets, significantly reducing memory cost and latency while making visual inputs more compatible with LLMs. Our code is available at https://github.com/snuviplab/DiVT.
Authors: Mingzhuo Li, Guang Li, Linfeng Ye, Jiafeng Mao, Takahiro Ogawa, Konstantinos N. Plataniotis, Miki Haseyama
Abstract: Deep neural networks have achieved impressive performance across a wide range of tasks, but this success often comes with substantial computational and storage costs due to large-scale training data. Dataset distillation addresses this challenge by constructing compact yet informative datasets that enable efficient model training while maintaining downstream performance. However, most existing approaches primarily emphasize matching data distributions or downstream training statistics, with limited attention to preserving high-level semantic information in the distilled data. In this work, we introduce a semantic-aware perspective for dataset distillation by leveraging Contrastive Language-Image Pretraining (CLIP) as a semantic prior for post-sampling. Our goal is to obtain distilled datasets that are not only compact but also semantically class-discriminative and diverse. To this end, we design three semantic scoring functions that quantify class relevance, inter-class separability, and intra-set diversity in a pretrained semantic space. Based on image pools generated by existing distillation methods, we further develop a two-stage strategy for effective sampling: the first stage filters semantically discriminative samples to form a reliable candidate set, and the second stage performs a dynamic diversity-aware selection to reduce redundancy while preserving semantic coverage. Extensive experiments across multiple datasets, image pools, and downstream models demonstrate consistent performance gains, highlighting the effectiveness of incorporating semantic information into dataset distillation.
Authors: Chih-Yu Lee, Haotong Liang, Ryan Kim, Austin McDannald, Carlos A Rios Ocampo, A. Gilad Kusne, Ichiro Takeuchi
Abstract: Autonomous labs enable the integration of automated experiment execution, data analysis and decision making. The main challenge remains the integration of diverse data streams from multiple instruments, where the data is often heterogeneous and unsynchronized. The standard learning process of undetermined synthesis-process-structure-property relationships (SPSPR) usually relies on post-experiment analysis after data is fully collected, not during live experiments, and decision making is carried out independently across characterization equipment. Here, we demonstrate the Multi-instrument Autonomous Discovery (MAD) framework -- combining structural property mapping and functional property optimization simultaneously in a closed-loop manner. As an example, we applied MAD to phase change memory (PCM) materials, and, in particular on the Mn-Sb-Te ternary, a previously unexplored materials system for PCM. A multi-output model is employed to merge data from x-ray diffraction (XRD) and electrical resistance measurements simultaneously through a co-regionalization kernel that models the relationship between them. The output probabilistic posterior and uncertainty quantification facilitate decision making with shared knowledge, while the goals are different across tasks. We aimed to maximize the knowledge of crystal structure distribution using non-negative matrix factorization (NMF), while in parallel, we find the composition with the maximum resistance value, an important figure of merit for PCM. Leveraging MAD, we found promising electrical PCMs and identified the SPSPR within 25 closed-loop iterations, corresponding to a seven-fold speed-up. The framework opens a new path of study in large-scale autonomous facilities, where future experiments can be run in parallel together, not independently.
Authors: Xinzhe Yuan (Harbin Institute of Technology), William de Vazelhes (Mohamed bin Zayed University of Artificial Intelligence), Bin Gu (Mohamed bin Zayed University of Artificial Intelligence, Jilin University), Huan Xiong (Harbin Institute of Technology, Mohamed bin Zayed University of Artificial Intelligence)
Abstract: Hard-thresholding is an important type of algorithm in machine learning that is used to solve $\ell_0$ constrained optimization problems. However, the true gradient of the objective function can be difficult to access in certain scenarios, which normally can be approximated by zeroth-order (ZO) methods. The SZOHT algorithm is the only algorithm tackling $\ell_0$ sparsity constraints with ZO gradients so far. Unfortunately, SZOHT has a notable limitation on the number of random directions % in ZO gradients due to the inherent conflict between the deviation of ZO gradients and the expansivity of the hard-thresholding operator. This paper approaches this problem by considering the role of variance and provides a new insight into variance reduction: mitigating the unique conflicts between ZO gradients and hard-thresholding. Under this perspective, we propose a generalized variance reduced ZO hard-thresholding algorithm as well as the generalized convergence analysis under standard assumptions. The theoretical results demonstrate the new algorithm eliminates the restrictions on the number of random directions, leading to improved convergence rates and broader applicability compared with SZOHT. Finally, we illustrate the utility of our method on a ridge regression problem as well as black-box adversarial attacks.
Authors: Yuta Koike
Abstract: The F\"ollmer process is a Brownian motion conditioned to have a pre-specified distribution at time 1. This process can be interpreted as an "augmented" time-compressed version of the reverse stochastic differential equation (SDE) for the denoising diffusion probabilistic model (DDPM). While this fact has been indirectly used to analyze DDPM sampling errors via discretization of the reverse SDE, connections between direct discretization of the F\"ollmer process and the DDPM sampler have not yet been fully explored. This note aims to clarify this point while surveying relevant results from existing work. We show that discretized F\"ollmer processes give natural hyper-parameter settings of the DDPM sampler. Moreover, this allows us to systematically recover state-of-the-art results on DDPM sampling error bounds with slight improvements.
Authors: Corentin Dumery, Niki Amini-Naieni, Shervin Naini, Pascal Fua
Abstract: Object counting is a foundational vision task with over a decade of dedicated research, yet state-of-the-art models still fail systematically in the mixed-object setting that dominates real-world applications such as industrial inspection and product sorting. We show that this gap is strongly driven by limitations in existing training and evaluation data: real counting datasets are prohibitively expensive to annotate and suffer from labeling noise, while existing synthetic alternatives lack diversity and realism. We address this with MixCount, a dataset and benchmark for mixed-object counting designed to target the failure modes of current counting models. To overcome the high cost of constructing and labeling such data, we develop an automatic generation pipeline that synthesizes images, fine-grained textual descriptions, and pixel-perfect counting annotations at scale, eliminating the labeling ambiguity that plagues prior datasets. Evaluating state-of-the-art counting models on MixCount exposes severe degradation in the mixed-object setting. More importantly, training these models on our synthesized data yields substantial gains on real-world benchmarks, reducing MAE by 20.14% on FSC-147 and by 18.3% on PairTally. These results establish MixCount as both a benchmark and a training dataset for fine-grained counting, and demonstrate that our pipeline, which produces effectively unlimited labeled data, helps address a long-standing bottleneck in counting models.
Authors: Yuta Koike
Abstract: This paper studies sampling error bounds for denoising diffusion probabilistic models (DDPMs) in the 2-Wasserstein distance. Our contributions are threefold. (i) Under general Lipschitz-type conditions on the score function and for a broad class of variance schedules, including the cosine schedule, we establish sharp upper bounds that are optimal in both the dimension and the number of steps, and recover several sharp error bounds previously obtained in the literature. (ii) We prove that the same Lipschitz-type conditions, which encompass those commonly imposed on the (learned) score, imply a logarithmic Sobolev inequality and hence a quadratic transportation cost inequality for the DDPM. As a consequence, in settings covered by existing work, an optimal Wasserstein bound, up to a logarithmic factor, follows from the recently obtained sharp error bound in the Kullback-Leibler divergence under geometric-type variance schedules. (iii) We show that for general log-concave target distributions, the optimal Wasserstein error bound remains attainable even without a quadratic transportation cost inequality for the target. Our analysis is based on viewing the DDPM sampler as a discretization of the F\"ollmer process rather than the conventional reverse Ornstein-Uhlenbeck process.
Authors: Sangjun Bae, Yisak Park, Sanghyeon Lee, Seungyul Han
Abstract: Communication is a key component in multi-agent reinforcement learning (MARL) for mitigating partial observability, yet prior approaches often rely on inefficient information exchange or fail to transmit sufficient state information. To address this, we propose LLM-driven Multi-Agent Communication (LMAC), which leverages an LLM's reasoning capability to design a communication protocol that enables all agents to reconstruct the underlying state as accurately and uniformly as possible. LMAC iteratively refines the protocol using an explicit state-awareness criterion, improving state recovery while narrowing differences in agents' knowledge. Experiments on diverse MARL benchmarks show that LMAC improves state reconstruction across agents and yields substantial performance gains over prior communication baselines.
Authors: Tim Tsz-Kit Lau, Weijie Su
Abstract: A striking geometric disparity has long persisted in the practice of deep learning. While modern neural network architectures naturally exhibit rich symmetry and equivariance properties, popular optimizers such as Adam and its variants operate inherently coordinate-wise, rendering them unable to respect the equivariance structures of the parameter space. We address this disparity by introducing a symmetry-compatible principle for optimizer design: the gradient update rule should be equivariant under the symmetry group acting on the corresponding weight block. Following this principle, we first provide a unified perspective on bi-orthogonally equivariant updates for general matrix layers, as employed by stochastic spectral descent, Muon, Scion, and polar gradient methods. More importantly, by moving from orthogonal groups to permutation and shared-shift symmetries, we derive symmetry-compatible optimizers for parameter blocks whose symmetries differ from those of general matrix layers: embedding and LM head matrices, SwiGLU MLP projections, and MoE router matrices. These constructions include one-sided spectral, row-norm, hybrid row-norm/spectral, row-aware, column-aware, centered row-norm, and left-spectral updates. They yield an end-to-end layerwise optimizer stack in which each major matrix-valued parameter class is assigned an update whose equivariance matches its symmetry group. We corroborate this principle through pre-training experiments on dense and sparse MoE language models, including Qwen3-0.6B-style, Gemma 3 1B-style, OLMoE-1B-7B-style, and downsized gpt-oss architectures. Across these experiments, symmetry-compatible updates consistently improve final validation loss, and in several cases training stability, over corresponding AdamW updates.
Authors: Julian With\"oft, Werner John, Emre Ecik, Ralf Br\"uning, J\"urgen G\"otze
Abstract: Signal integrity (SI) analysis in printed circuit board (PCB) interconnects faces increasing complexity due to diverse integrated circuit (IC) buffer technologies, varying operating conditions, and manufacturing tolerances. Existing machine learning (ML) surrogate models for predicting SI metrics such as the inner eye contour, eye-height (EH), eye-width (EW), and transient waveform features typically rely on fixed buffer parameters, requiring costly new data generation and retraining cycles for every technology shift. This paper introduces a buffer-parameterized ML surrogate modeling methodology capable of handling cross-technology variations without retraining by treating IC buffer characteristics, e.g., clock frequency, supply voltage, rise/fall times, jitter, and internal resistors and capacitors, as dynamic model inputs alongside PCB parameters. To identify the optimal surrogate architecture for this high-dimensional space, a comprehensive benchmarking study compares tree-based methods (RFR/GBM), kernel methods (SVR/KRR), Gaussian process regression (GPR), and neural networks. The framework is subsequently validated on a complex interconnect with 44 design parameters. Results show that while anisotropic GPR excels in low-data regimes, neural networks heavily outperform other models on large datasets. Finally, the practical value of the ML surrogate models is demonstrated through a cross-technology design space exploration and optimization scenario, showcasing massive computational speedups for eye mask compliance checking compared to simulation.
Authors: George Whittle, Pranav Vaidhyanathan, Juliusz Ziomek, Natalia Ares, Maike A. Osborne
Abstract: Wide neural networks in the feature-learning regime drive modern deep learning, and yet they remain far less studied than their kernel-regime counterparts. We consider a critical yet under-explored difference between these two regimes: the regulariser and prior implied by gradient flow training. This canonical regularisation property is well-studied in kernel regime networks -- of all the infinite global minima, gradient flow selects exactly the vanishing ridge solution -- and underpins the celebrated NN-GP correspondence, precisely allowing the modelling of noise during training. However, we prove ridge regularisation biases gradient flow in feature-learning regime networks, even in the infinitesimal limit of vanishing regularisation. Over training, ridge distorts the inductive bias of the network, with a particular damage done to pretrained networks where the implicit prior is informative. We resolve this by axiomatising the canonical regulariser as a regime-agnostic function-space energy and lift, which uniquely identifies ridge in the kernel regime, and crucially generalises to the feature-learning regime. By studying the Riemannian geometry of feature-learning networks, we derive geodesic ridge from our framework, generalising ridge to the feature-learning regime. Correspondingly, we prove the canonical function-space prior is a Riemannian Gibbs Process, generalising the more familiar Gaussian Process. As a practical contribution, we propose arc ridge as a minimax-robust, scalable surrogate to geodesic ridge, revealing a deep relationship between early stopping and canonical regularisation across learning regimes. Finally, we demonstrate the consequences of our theory empirically on both image processing and NLP transfer-learning problems.
Authors: Grigory Bartosh, Teodora Pandeva, Sushrut Karmalkar, Javier Zazo
Abstract: Discrete diffusion models are a powerful class of generative models with strong performance across many domains. For efficiency, however, discrete diffusion typically parameterizes the generative (reverse) process with factorized distributions, which makes it difficult for the model to learn the target process in a small number of steps and necessitates a long, computationally expensive sampling procedure. To reduce the gap between the target and model distributions and enable few-step generation, we propose Forward-Learned Discrete Diffusion (FLDD), which introduces discrete diffusion with a learnable forward (noising) process. Rather than fixing a Markovian forward chain, we adopt a non-Markovian formulation with learnable marginal and posterior distributions. This allows the generative process to remain factorized while matching the target defined by the noising process. We train all parameters end-to-end under the standard variational objective. Experiments on various benchmarks show that, for a given number of sampling steps, our approach produces a higher quality samples than conventional discrete diffusion models using the same reverse parameterization.
Authors: Md Hasan, Nyvenn Castro, Daiqi Liu, Lukas Mulzer, Jana Hutter, Jonghye Woo, Moritz Zaiss, Andreas Maier, Paula A. Perez-Toro
Abstract: Real-time magnetic resonance imaging (rtMRI) of speech production enables non-invasive visualization of dynamic vocal-tract motion and is valuable for speech science and clinical assessment. However, rtMRI is fundamentally constrained by trade-offs among spatial resolution, temporal resolution, and acquisition speed, often leading to undersampled k-space measurements and degraded reconstructions. We propose SIREM, a speech-informed MRI reconstruction framework that uses synchronized speech as a cross-modal prior. The central idea is that vocal-tract configurations during speech are correlated with the produced acoustics, making part of the image content predictable from audio. SIREM models each frame as a fusion of an audio-driven component and an MRI-driven component through a spatial weighting map. The audio branch predicts articulator-related structure from speech, while the MRI branch reconstructs complementary content from measured k-space data. We further introduce a learnable soft weighting profile over spiral arms, enabling a differentiable study of how k-space arm usage interacts with speech-informed fusion. This yields a unified multimodal formulation that combines audio-driven prediction, MRI reconstruction, and sampling adaptation. We evaluate SIREM on the USC speech rtMRI benchmark against standard baselines, including gridding, wavelet-based compressed sensing, and total variation. SIREM introduces a speech-informed reconstruction paradigm that operates in a substantially higher-throughput regime than iterative methods while preserving anatomically plausible vocal-tract structure. These results establish an initial benchmark for multimodal speech-informed rtMRI reconstruction and highlight the potential of synchronized speech as an auxiliary prior for fast reconstruction. The source code is available at https://github.com/mdhasanai/SIREM
Authors: Diego Casadei
Abstract: Many dynamical systems can be described in terms of structured flows combining source/sink behavior, cyclic dynamics, and topology-constrained transport. These features arise across a wide range of domains, including physical, engineered, and data-driven systems. This work provides a unified perspective on such systems by connecting continuous formulations based on the Helmholtz-Hodge decomposition with discrete and data-driven representations. We review the recently proposed Graph Vector Field (GVF) framework, which enables a decomposition of complex dynamics into gradient, curl, and harmonic components on simplicial complexes, offering both expressivity and interpretability. We then introduce a hierarchy of alternative modeling approaches, including parametric conditional models, linear graph dynamical systems, and reduced Hodge representations, which trade expressive power for computational tractability and reduced data requirements. A key contribution of this work is a cross-domain validation strategy that leverages datasets from well-understood physical systems to verify model correctness and assess robustness independently of the target application domain. This approach enables a systematic evaluation of the trade-offs between model complexity, interpretability, and predictive performance. The resulting framework supports an iterative modeling methodology in which highly expressive models are used as diagnostic tools to identify dominant mechanisms, guiding the construction of simplified models tailored to practical constraints. This work highlights the broad applicability of structured flow modeling and provides a foundation for scalable and interpretable analysis of complex dynamical systems.
Authors: Yuwen Zeng, Dengzhe Hou, Zhang Zhang, Sai Sun, Yongsong Huang, Chia-huei Tseng, Satoshi Shioiri
Abstract: Self-initiated attention shifts play a critical role in voluntary behavior but are difficult to study due to the absence of explicit temporal markers. While previous studies have examined their neural correlates, it remains unclear how multi-dimensional electroencephalography (EEG) features contribute to their characterization within an interpretable computational framework. In this study, we build on an experimental paradigm developed in our previous work, which enables controlled comparison between task-constrained self-initiated shifts and externally instructed shifts under identical visual stimulation. Within this setting, we investigate whether preparatory EEG activity can distinguish these two types of attention shifts. We adopt a machine learning-based approach and conduct two complementary analyses: (1) a performance-oriented assessment of frequency-specific topographic patterns, and (2) a model-based feature attribution analysis using SHapley Additive exPlanations (SHAP). These analyses provide a structured view of how spectral features across regions of interest contribute to model behavior. Our results demonstrate reliable within-subject classification performance, indicating that preparatory EEG activity contains subject-specific discriminative information within this paradigm. The analysis shows that higher-frequency bands and frontal regions contribute strongly to model decisions, although such contributions should be interpreted cautiously due to the potential influence of non-neural artifacts in high-frequency EEG signals. Overall, this work highlights the value of interpretable machine learning for analyzing subject-specific EEG signal patterns in a controlled experimental setting, with potential applications in personalized and asynchronous brain-machine interface systems.
Authors: Changmin Lee, Jaemin Kim, Taesik Gong
Abstract: With the rapid emergence of personal AI agents based on Large Language Models (LLMs), implementing them on-device has become essential for privacy and responsiveness. To handle the inherently personal and context-dependent nature of real-world requests, such agents must ground their generation in device-resident personal context. However, under tight memory budgets, the core bottleneck is what to store so that retrieval remains aligned with the user. We propose EPIC (Efficient Preference-aligned Index Construction), which focuses on user preferences as a compact and stable form of personal context and integrates them throughout the RAG pipeline. EPIC selectively retains preference-relevant information from raw data and aligns retrieval toward preference-aligned contexts. Across four benchmarks covering conversations, debates, explanations, and recommendations, EPIC reduces indexing memory by 2,404 times, improves preference-following accuracy by 20.17 percentage points, and achieves 33.33 times lower retrieval latency over the best-performing baseline. In our on-device experiment, EPIC maintains a memory footprint under 1 MB with 29.35 ms/query latency in streaming updates.
Authors: Thibaut Germain, Sami Chemlal, R\'emi Flamary, Vladimir R. Kostic, Karim Lounici
Abstract: Learning dynamical systems through operator-theoretic representations provides a powerful framework for analyzing complex dynamics, as spectral quantities such as eigenvalues and invariant structures encode characteristic time scales and long-term behavior. However, dynamical operators are typically estimated independently for each system, preventing the discovery of shared structure across related dynamics. To address this limitation, we posit that related dynamical systems lie near a low-dimensional manifold in spectral operator space. Based on this hypothesis, we introduce DOODL (Dynamical OperatOr Dictionary Learning), a framework that learns a dictionary of characteristic spectral dynamics whose combinations approximate this manifold and yield compact, interpretable embeddings of individual systems. Beyond representation learning, DOODL enables fast and interpretable operator estimation from short and partially observed trajectories by constraining the estimation to the learned operator manifold. Experiments on metastable Langevin dynamics and turbulent plasma simulations demonstrate that DOODL scales to highly complex multiscale regimes while capturing characteristic spectral structure governing the dynamics rather than merely fitting trajectories, achieving errors one to two orders of magnitude lower than independent operator estimation methods in challenging low-data regimes.
Authors: Yang Shao, Peiliang Gong, Qun Dai, Daoqiang Zhang
Abstract: Foundation models pre-trained through masked reconstruction on large-scale EEG data have emerged as a promising paradigm for learning generalizable neural representations across diverse brain-computer interface applications. However, a critical yet overlooked challenge is that EEG encoders must learn representations invariant to incomplete observations-when different masked views of the same signal have minimal overlap, existing methods fail to constrain them to a consistent latent subspace, leading to degraded transferability. To address this, we propose DARE-EEG, a self-supervised foundation model that explicitly enforces the mask-invariance property through dual-aligned representation learning during pre-training. Specifically, we introduce mask alignment that constrains representations from multiple masked views of the same EEG sample via contrastive learning, complementing anchor alignment that aligns masked representations to momentum-updated complete features for semantic stability. Additionally, we propose conv-linear-probing, a parameter-efficient strategy that adapts pre-trained representations to heterogeneous electrode configurations and sampling rates through decoupled spectro-spatial projections. Extensive experiments across diverse EEG benchmarks demonstrate that DARE-EEG consistently achieves state-of-the-art in accuracy performance while maintaining relatively low parameter complexity and superior cross-dataset portability compared to existing methods. Furthermore, DARE-EEG contributes to effectively discovering and utilizing the rich potential representations in EEG.
Authors: Jaskirat Singh, Boyang Zheng, Zongze Wu, Richard Zhang, Eli Shechtman, Saining Xie
Abstract: Representation Autoencoders (RAE) replace traditional VAE with pretrained vision encoders. In this paper, we systematically investigate several design choices and find three insights which simplify and improve RAE. First, we study a generalized formulation where the representation is defined as sum of the last k encoder layers rather than solely the final layer. This simple change greatly improves reconstruction without encoder finetuning or specialized data (e.g., text, faces). Second, we study the prevalent assumption that RAE (using pretrained representation as encoder) replaces representation alignment (REPA), which distills the same representation to intermediate layers instead. Through large-scale empirical analysis, we uncover a surprising finding: RAE and REPA exhibit complementary working mechanisms, allowing the same representation to be used as both encoder and target for intermediate diffusion layers. Finally, the original RAE struggles with classifier-free guidance (CFG) and requires training a second, weaker diffusion model for AutoGuidance (AG). We show that REPA itself can be viewed as x-prediction in RAE latent space. By simply re-parameterizing the output of the DiT model, it can provide guidance for "free". Overall, RAEv2 leads to more than 10x faster convergence over the original RAE, achieving a state-of-the-art gFID of 1.06 in just 80 epochs on ImageNet-256. On FDr^k, RAEv2 achieves a state-of-the-art 2.17 at just 80 epochs compared to the previous best 3.26 (800 epochs) without any post-training. This motivates EP_FID@k (epochs to reach unguided gFID <= k) as a measure of training efficiency. RAEv2 attains an EP_FID@2 of 35 epochs, versus 177 for the original RAE. We also validate our approach across diverse settings for text-to-image generation and navigation world models, showing consistent improvements. Code is available at https://raev2.github.io.
URLs: https://raev2.github.io.
Authors: Kirscher Tristan (ICube,DKFZ), Bujotzek Markus (DKFZ), Kirchhoff Yannick (DKFZ), Rokuss Maximilian (DKFZ), Isensee Fabian (DKFZ), Kahl Kim-Celine (DKFZ), Kovacs Balint (DKFZ), Maier-Hein Klaus (DKFZ)
Abstract: Ensemble disagreement is widely used as a proxy for epistemic uncertainty in medical image segmentation. In practice, many studies form ensembles via K-fold cross-validation (CV), yet refer to them as ``deep ensembles'' (DE). Because CV members are trained on different data subsets, their disagreement mixes seed-driven variability with data-exposure effects, which can change how uncertainty should be interpreted. We audit recent segmentation uncertainty studies and find that terminology--implementation mismatches are common. We then compare a standard 5-fold CV ensemble to a 5-member DE (fixed training set, different random seeds) under otherwise identical configurations on three multi-rater segmentation datasets spanning three modalities. We evaluate uncertainty for calibration, failure detection, ambiguity modeling, and robustness under distribution shift. DE match segmentation accuracy while improving calibration and failure detection, whereas CV ensembles sometimes correlate more strongly with inter-rater variability on the studied datasets. Thus, ensemble construction should be chosen to match the research question: DE for reliability-oriented use (e.g., selective referral/failure detection) and CV ensembles as a proxy for ambiguity. We provide a lightweight nnU-Net modification enabling DE training within the default pipeline.
Authors: Alberto Marchisio, Aayan Ebrahim, Nouhaila Innan, Muhammad Kashif, Muhammad Shafique
Abstract: Accurate and efficient time-series forecasting remains a challenging problem for both classical and quantum neural architectures, particularly in multivariate environmental settings. This work adapts the Quantum Leaky Integrate-and-Fire (QLIF) spiking neural network for time-series regression tasks, specifically short-term multivariate weather forecasting. We extend QLIF beyond classification and demonstrate its applicability to continuous-valued prediction problems. The QLIF-CAST model encodes neuron excitation states as single-qubit quantum superpositions, driven by Rx rotation gates and T1 relaxation decay, and is embedded within a hybrid quantum-classical recurrent architecture. We conduct two distinct evaluations. First, a controlled comparison against a parameter-matched classical LIF baseline on a multivariate weather dataset shows that QLIF-CAST achieves 15.4% lower MSE and 4.4% lower MAE, demonstrating that quantum neuronal dynamics reduce prediction error over classical equivalents. Second, a cross-domain comparative analysis with state-of-the-art quantum LSTM (QLSTM) and quantum neural network (QNN) models on air quality and wind speed benchmarks reveals that QLIF-CAST converges in up to 94% less training time, occupying a distinct position in the speed-error trade-off space. Hardware verification on IBM Marrakesh (156-qubit QPU) confirms reliable circuit execution with only 1.2% average deviation from simulation.
Authors: Min Heo, Pranav Kadiyam, Prasun Panthi
Abstract: Champion recommendation in multiplayer online battle arena games is usually framed informally as a problem of metagame strength, personal comfort, or global win rate. We formalize champion recommendation in League of Legends as an interpretable, player-conditional ranking problem under sparse, noisy, and non-stationary behavioral data. The proposed framework combines four information sources: a population-strength proxy, player-style similarity, direct and indirect mastery priors, and archetype-level guardrails. The method uses robust median/MAD normalization, logarithmic transforms for skewed event counts, recency-weighted player style vectors, mastery-weighted champion-pool vectors, weighted cosine similarity, rank-scaled score components, and k-means++ clustering for coarse archetype support. The implemented prototype uses a Python/Pandas modeling layer, Supabase-backed storage, and a web-facing recommendation interface. Unlike black-box supervised win-prediction systems, the proposed method returns decomposed recommendation scores that can be inspected as expected-performance proxy, fit, mastery, and archetype compatibility. A single-player case study on a 100-game history for the player identifier DIVINERAINRACCON is included as an end-to-end sanity check. The manuscript is therefore a methods and systems contribution: it specifies a reproducible, modular, and auditable champion recommender and gives a validation protocol for future large-scale evaluation through temporal train-test splits, next-champion recovery, calibration analysis, and ablation studies.
Authors: Alberto Marchisio, Muhammad Kashif, Nouhaila Innan, Muhammad Shafique
Abstract: Hybrid quantum-classical neural networks (HQNNs) are emerging as a practical approach for quantum machine learning in the noisy intermediate-scale quantum (NISQ) era, as they combine classical learning components with parameterized quantum circuits in an end-to-end trainable framework. However, their performance and efficiency depend strongly on architectural choices such as data encoding, circuit structure, measurement design, and the coupling between classical and quantum modules. This makes manual design increasingly difficult, especially when hardware limitations and resource constraints must also be taken into account. In this paper, we study the foundations of HQNNs and neural architecture search (NAS), discuss how NAS extends to quantum and hybrid settings, and demonstrate FLOPs-aware search (where FLOPs serve as a proxy for computational complexity), as an important hardware-aware direction for building HQNNs that are not only accurate but also computationally efficient and practically deployable.
Authors: Choudur Lakshminarayan
Abstract: We study sample quantiles of distributions indexed by estimated parameters, with a on Value-at-Risk related to linear projections of financial returns that whose underlying probability law is heavy-tailed. In this setting, the projection direction and the empirical quantile threshold are estimated from the data, so the standard Bahadur representation under a fixed distribution does not separate the distinct sources of instability. A canonical starting point is Bahadur's representation, which expresses the sample quantile through the empirical distribution function plus a remainder term \cite{bahadur1966}. Empirical-process theory provides a usable scaffolding through the mechanics of half-spaces, symmetric differences, and Glivenko--Cantelli uniform convergence. They yield stability bounds, but absorb changes in projection direction and changes in quantile threshold into a single symmetric-difference measure. Interestingly, a global uniform-convergence requirement is imposed on what is intrinsically a local quantile-stability problem. This paper introduces a Q-Q orthogonality formulation for separating projection-direction and quantile-threshold effects. The object of interest is the difference between the empirical quantile computed using the estimated projection direction and the population quantile computed at the reference projection direction. We decompose this difference into three terms, $\hat q_{\alpha}(\hat w)-q_{\alpha}(w_0)=D_1+D_2+D_3$. Here, $D_1$ measures the population quantile movement induced by perturbing the projection direction, $D_2$ measures the empirical quantile fluctuation with the projection direction held fixed, and $D_3$ is the Bahadur-type remainder.
Authors: Edoardo Caldarelli, Franco Coltraro, Adri\`a Colom\'e, Lorenzo Rosasco, Carme Torras
Abstract: Robotic cloth folding is a challenging task, particularly when considering dynamic folding tasks, which aim at folding cloth by fast motions that leverage its dynamics. When subject to such fast motions, the complexity of cloth dynamics hinders both system identification and planning of folding trajectories, resulting in a difficult simulation-to-reality transfer when using physical models of cloth. Compared to the dexterity that humans exhibit when performing folding tasks, robotic approaches usually employ small garments with quite rigid dynamics, and are either too slow, or fast but imprecise, requiring several attempts to achieve a reasonably good fold. In this paper, we tackle these challenges by generating fast folding trajectories with a novel model predictive controller, integrating physics-based simulation of cloth dynamics and efficient, kernel-based Koopman operator regression. Koopman operator regression, an increasingly popular machine learning technique for nonlinear system identification, is used to obtain a linear model for the cloth being folded. Such a surrogate model, trained with data from a high-fidelity, physics-based cloth simulator, can then be employed within a suitable model predictive control algorithm, in place of the costly, nonlinear one, to efficiently generate folding trajectories to be executed by a robotic manipulator. Both in simulated and real-robot experiments, we show how the linearization supplied by the Koopman operator-based model can be employed to efficiently generate fast folding trajectories to unseen poses, without sacrificing folding accuracy.
Authors: Yuyao Wang, Zhongjian Zhang, Mo Chi, Kaichi Yu, Yuhan Li, Miao Peng, Bing Tong, Chen Zhang, Yan Zhou, Jia Li
Abstract: Recent benchmarks for Large Language Model (LLM) agents mainly evaluate reasoning, planning, and execution. However, memory is also essential for agents, as it enables them to store, update, and retrieve information over time. This ability remains under-evaluated, largely because existing benchmarks do not provide a systematic way to assess memory mechanisms. In this paper, we study agent memory from a self-evolving perspective and introduce EvoMemBench, a unified benchmark organized along two axes: memory scope (in-episode vs. cross-episode) and memory content (knowledge-oriented vs. execution-oriented). We compare 15 representative memory methods with strong long-context baselines under a standardized protocol. Results show that current memory systems are still far from a general solution: long-context baselines remain highly competitive, memory helps most when the current context is insufficient or tasks are difficult, and no single memory form works consistently across all settings. Retrieval-based methods remain strong for knowledge-intensive settings, whereas procedural and long-term memory methods are more effective for execution-oriented tasks when their stored experience matches the task structure. We hope EvoMemBench facilitates future research on more effective memory systems for LLM-based agents. Our code is available at https://github.com/DSAIL-Memory/EvoMemBench.
Authors: Baptiste Ferrere, Nicolas Bousquet, Fabrice Gamboa, Jean-Michel Loubes
Abstract: The functional ANOVA, or Hoeffding decomposition, provides a principled framework for interpretability by decomposing a model prediction into main effects and higher-order interactions. For independent inputs, this classical decomposition is explicit. It is closely connected to SHAP values, generalized additive models, and orthogonal polynomial expansions, and therefore constitutes a fundamental tool for additive explainability. In the more general and realistic dependent setting, however, obtaining a tractable representation and estimating the decomposition from data remain challenging. In this work, we address this problem for continuous inputs. By combining Hilbert space methods with the generalized functional ANOVA, we build an explicit decomposition Riesz Basis allowing to easily compute the decomposition. Our formulation recovers the classical independent case and its associated orthogonal decomposition. Building on this representation, we propose a simple but mighty algorithm to estimate the decomposition from a data sample in a model-agnostic setting and we compare it empirically with several state-of-the-art explanation methods, demonstrating the power of the approach.
Authors: Andr\'e G. Viveiros, Nuno Gon\c{c}alves, Andr\'e F. T. Martins, Matthias Lindemann
Abstract: Humans can approach complex visual problems by mentally simulating intermediate visual steps, rather than reasoning through language alone. Inspired by this, several works on Vision-Language Models have recently explored chain-of-thought reasoning with continuous latent tokens as intermediate visual imagination steps. In this work, we investigate how recent models leverage such latent tokens. Surprisingly, we find that model accuracy is unaffected when latent tokens are replaced by uninformative dummy tokens. This indicates that latent tokens play a minimal causal role in the model's final prediction. To better understand this phenomenon, we analyze both the training signal provided by oracle latent representations and the quality of the latent tokens generated at inference time. Our experiments reveal two crucial issues holding back latent visual reasoning: First, in most existing datasets, oracle latent tokens provide limited additional information beyond the original image and do not substantially simplify the task, leading models to ignore them during training and effectively bypassing them at inference time. When fine-tuned on a diagnostic dataset, in which latent tokens provide sufficient support for the final prediction, we show that models can causally rely on them. Second, the latent tokens produced at inference time deviate from their corresponding oracle representations, collapsing to a narrow region and preventing benefits even when the model relies on them. Overall, our findings suggest that future progress in latent visual reasoning depends on two key pillars: high-quality datasets with informative intermediate steps and more precise latent token prediction.
Authors: MKA Ariyaratne, Azwirman Gusrialdi, Yury Nikulin, Jaakko Peltonen
Abstract: This work presents a novel variant of the Firefly Algorithm (FA) for data clustering, addressing limitations of traditional methods like K-Means that struggle with non-uniform cluster shapes, densities, and the need for pre-defining the number of clusters. The proposed algorithm introduces a centroid movement strategy and a multi-objective fitness function that balances compactness, separation, and a novel TSP-based navigation penalty. It automatically estimates the optimal number of clusters and dynamically adjusts cluster boundaries. Application to robotic sensor networks highlights its practical value, with experiments showing improved clustering quality and reduced intra-cluster path distances compared to K-Means. These results confirm the algorithm's robustness in complex spatial clustering tasks, with potential for future extensions to higher-dimensional and adaptive scenarios.
Authors: Weizhao Li, Fanghui Liu, Lei Shi
Abstract: We study approximation by shallow ReLU$^s$ networks, $\sigma_s(t)=\max{0,t}^s$, and the generalization behavior of such networks under $\ell_1$ path-norm control. For the $L^p$-type integral spaces $\widetilde{\mathcal{F}}_{p,\tau_d,s}$, $1\le p\le2$, we establish approximation bounds for shallow networks using spherical harmonic analysis. In particular, when the parameter measure is the uniform measure $\tau_d$ and $p
Authors: Friso de Kruiff, Dario Coscia, Max Welling, Erik Bekkers
Abstract: Generative models can produce nonsensical text, unrealistic images, and unstable materials faster than simulation or human review can absorb; without per-sample confidence, trust erodes. Existing fixes run $k$ ensembles or stochastic trajectories at $k\times$ compute, measuring variability between models, not model confidence. We propose Flow Matching with Confidence (FMwC). FMwC injects input-dependent multiplicative noise at selected layers, propagates its variance through the network in closed form, and integrates it along the ODE trajectory, yielding a per-sample confidence score at standard sampling cost. The score supports multiple uses: filtering improves image quality and thermodynamic stability of crystals; editing rewinds trajectories to the points where the model commits and redirects them; and adaptive stepping concentrates ODE compute where the flow is ambiguous. We find that the confidence score correlates with the magnitude of the divergence of the learned velocity field, which gives us a window to understand the generative process, opening up surgical forms of guidance that target the moments that matter, new sampling algorithms and interpretability of generative models.
Authors: Sixu Chen, Xiang Chen, Hongyao Yu, Jiaxin Hong, Hao Fang, Shuoyang Sun, Bin Chen, Shu-Tao Xia
Abstract: The widespread deployment and redistribution of large language models (LLMs) have made model provenance tracking a critical challenge. While existing LLM fingerprinting methods, particularly active approaches that embed identity signals via fine-tuning, achieve high accuracy and robustness, they suffer from significant scalability bottlenecks. These methods typically treat fingerprint injection as an independent, one-off optimization task rather than a reusable capability, necessitating separate, resource-intensive training for every new identity. This incurs prohibitive computational costs and deployment delays. To address this, we propose Prompt2Fingerprint (P2F), the first framework that reformulates fingerprinting as a conditional parameter generation task. By leveraging a specialized generator, P2F maps textual descriptions directly to low-rank parameter increments in a single forward pass, enabling plug-and-play LLM fingerprint injection without further model retraining. Our experiments demonstrate that P2F maintains high fingerprint accuracy, harmlessness, and robustness while significantly reducing computational overhead, offering a scalable and instant solution for LLM ownership management.
Authors: Jungang Zou, Alex Ziyu Jiang, Qixuan Chen
Abstract: Coding and computation remain major bottlenecks in Markov chain Monte Carlo (MCMC) workflows, especially as modern sampling algorithms have become increasingly complex and existing probabilistic programming systems remain limited in model support, extensibility, and composability. We introduce \textbf{AI4BayesCode}, an extensible LLM-driven system that translates natural-language Bayesian model descriptions into runnable, validated MCMC samplers. To improve reliability, AI4BayesCode adopts a modular design that decomposes models into modular sampling blocks and maps each block to a built-in sampling component, reducing the need to implement complex sampling algorithms from scratch. Reliability is further improved through pre-generation validation of model specifications and post-generation validation of generated sampler code. AI4BayesCode also introduces a novel recursively stateful coding paradigm for MCMC, allowing modular sampling components, potentially developed by different contributors, to be composed coherently within larger MCMC procedures. We develop a benchmark suite to evaluate AI4BayesCode for sampler-generation. Experiments show that AI4BayesCode can implement a wide range of Bayesian models from natural-language descriptions alone. As an open-ended system, its capability can continue to expand with improvements in the underlying AI agent and the addition of new built-in blocks.
Authors: Farnaz Kheiri, Shahryar Rahnamayan, Masoud Makrehchi
Abstract: In histopathology, human experts primarily rely on color as a means of enhancing contrast to interpret tissue morphology, whereas machine vision models process color as raw statistical information. This distinction raises a fundamental question: to what extent can pixel intensity alone, independent of structural and morphological cues, support cancer classification? To address this question, we systematically evaluated the standalone discriminative power of global color features while deliberately excluding all morphological information. Specifically, we extracted statistical color moments and discretized RGB and HSV color histograms, and assessed their performance across ten diverse experimental settings using classical machine learning classifiers. Our results demonstrate that color features alone can achieve strong performance in binary diagnostic tasks (e.g., benign versus malignant), with classification accuracies reaching up to 89%. This performance is likely attributable to global chromatic shifts associated with malignancy. Importantly, these simple color-based representations consistently outperformed random baselines by a substantial margin, indicating that raw color distributions encode a non-random and diagnostically relevant signal for cancer detection. Consequently, this study suggests that simple, computationally efficient color features can serve as an effective pre-screening tool. By identifying samples with strong chromatic indicators of malignancy, these lightweight models could function as a first-pass triage system, reducing the computational burden on complex deep learning architectures.
Authors: Jiayu Zhang, Tianyi Lin
Abstract: A growing lesson from neural network optimization is that optimizer design should respect how the model is parametrized. Scale-invariant methods become important because their normalized layerwise updates can not only support hyperparameter transfer across model sizes but exploit input-output matrix norm geometry. At the same time, stochastic gradient noises in deep learning are often far from sub-Gaussian and may exhibit heavy tails. These crucial observations have shaped recent algorithmic principles for training neural networks, yet their joint theoretical consequences remain underexplored. In particular, it is unclear what dimension dependence is unavoidable for scale-invariant methods with general input-output matrix norm, and whether higher-order smoothness can accelerate training under heavy-tailed noise. We study these questions through nonconvex smooth stochastic optimization over $\mathbb{R}^{m\times n}$ with general norms, where the goal is to achieve an $\epsilon$-stationary point under $p^{\mathrm{th}}$-moment heavy-tailed noise. Our first contribution is a dimension-dependent lower bound: when $\frac{\max\{m,n\}}{(\min\{m,n\})^2}$ is large enough, any scale-invariant first-order method with spectral norm requires $\Omega(\min\{m, n\}\epsilon^{-\frac{3p-2}{p-1}})$ oracle calls. We prove that a batched Scion method with spectral norm achieves the matching upper bound of $O(\min\{m, n\}\epsilon^{-\frac{3p-2}{p-1}})$. To exploit higher-order smoothness, we propose a transported Scion method and improve the bound to $O(\min\{m, n\}\epsilon^{-\frac{5p-3}{2p-2}})$ when the norm is spectral and the Hessian is Lipschitz. Finally, we incorporate practical heuristics into our transported method and evaluate it across multiple architectures and model sizes, demonstrating its flexibility and compatibility in training neural networks.
Authors: Zhihan Yang, Wei Guo, Shuibai Zhang, Subham Sekhar Sahoo, Yongxin Chen, Arash Vahdat, Morteza Mardani, John Thickstun
Abstract: While diffusion has drawn considerable recent attention from the language modeling community, continuous diffusion has appeared less scalable than discrete approaches. To challenge this belief we revisit Plaid, a likelihood-based continuous diffusion language model (DLM), and construct RePlaid by aligning the architecture of Plaid with modern discrete DLMs. In this unified setting, we establish the first scaling law for continuous DLMs that rivals discrete DLMs: RePlaid exhibits a compute gap of only $20\times$ compared to autoregressive models, outperforms Duo while using fewer parameters, and outperforms MDLM in the over-trained regime. We benchmark RePlaid against recent continuous DLMs: on OpenWebText, RePlaid achieves a new state-of-the-art PPL bound of $22.1$ among continuous DLMs and superior generation quality. These results suggest that continuous diffusion, when trained via likelihood, is a highly competitive and scalable alternative to discrete DLMs. Moreover, we offer theoretical insights to understand the advantage of likelihood-based training. We show that optimizing the noise schedule to minimize the ELBO's variance naturally yields linear cross-entropy (information loss) over time. This evenly distributes denoising difficulty without any case-specific time reparameterization. In addition, we find that optimizing embeddings via likelihood creates structured geometries and drives the most significant likelihood gain.
Authors: Diana Kolesnikova (Department of Methodology and Statistics, Tilburg University, Tilburg, Netherlands), Kirill Fedyanin (Smart Business Technologies, Belgrade, Serbia), Abe D. Hofman (Department of Psychological Methods, University of Amsterdam, Amsterdam, Netherlands, Prowise Learn, Amsterdam, Netherlands), Matthieu J. S. Brinkhuis (Department of Information and Computing Sciences, Utrecht University, Utrecht, Netherlands), Maria Bolsinova (Department of Methodology and Statistics, Tilburg University, Tilburg, Netherlands)
Abstract: Accurate estimates of item difficulty are essential for valid assessment and effective adaptive learning. However, for newly created tasks, response data are typically unavailable. Pretesting and expert judgement can be costly and slow, while machine learning methods often require large labelled training datasets. Recent work suggests that large language models (LLMs) may help. However, there is limited evidence on the elicitation procedures and prompt configurations used to emulate experts for difficulty estimation. This study addresses this gap by evaluating three off-the-shelf LLMs as difficulty raters for newly created items without access to response data. Using an item bank from an online learning system, the study examined 6 domains of primary-school mathematics, with empirical difficulty estimates treated as empirical reference. The study used a full factorial design crossing three factors: judgement format (absolute vs pairwise), decision type (hard decisions vs token-probability-based estimates), and prompting strategy (zero-shot vs few-shot). LLM-derived difficulty estimates were compared with empirical difficulties using Spearman rank correlations. Across domains, LLM-based estimates exhibited moderate to strong positive correlations with empirical item difficulties. For simpler arithmetic tasks, some configurations approached the upper end of the accuracy range reported for human experts in previous research. Pairwise comparison consistently outperformed absolute judgement in the absence of additional refinements. However, when token-level probabilities were incorporated and examples of items with known empirical difficulty were provided, the absolute judgement configuration likewise demonstrated moderate-to-high alignment. The study positions LLMs as a promising tool for initial item calibration and offers insights into effective workflow configuration.
Authors: Maximilian Reinhardt, Jonas Scharfenberger, Burkhardt Funk
Abstract: Structural equation modeling is widely used in IS research. However, inconsistent construct definitions impede the cumulative development of knowledge. In this work, we present an approach that aims at the integration of structural equation models into a unified model: We use a combination of task-adapted text embeddings and clustering to produce a candidate set of construct groupings. Subsequently, we select the optimal solution using a loss function that explicitly trades off semantic purity and parsimony in the number of clusters. By making this trade-off explicit, our approach allows to analyze how construct groupings and their relations change as one shifts the priority from purity to parsimony. Empirically, we evaluate and explore the proposed methodology on two datasets from the IS domain.
Authors: Peiying Zhu, Sidi Chang
Abstract: Outcome-only evaluation can certify economically unsafe agents: a policy can hit a business KPI while violating deployable behavioral discipline. In hotel pricing with hidden competitor state, a learner can achieve plausible revenue per available room while failing to preserve the rate discipline of a rule-based revenue-management competitor. We introduce discipline stability, a trace-based evaluation paradigm: define the benchmark behavior, restrict observations to the deployment regime, induce trace diagnostics from failure, separate mechanisms with ablations, and test transfer and deployment. Across a two-hotel benchmark and a compact hidden-budget bidding task, reward-only PPO variants miss trace alignment; revealing hidden state reduces label uncertainty; deterministic copy collapses uncertainty; and trace-prior or corrected history policies better preserve price or bid distributions. Pure behavior cloning is nearly enough for symmetric imitation, while Trace-Prior RL adds bounded adaptation under capacity asymmetry. The contribution is an evaluation and benchmark paradigm, not a new optimizer or a universal claim about MARL
Authors: Chenglei Yu*, Chuanrui Wang*, Bangyan Liao, Tailin Wu
Abstract: Single-cell trajectory inference from destructive time-course snapshots is fundamentally ill-posed: neither cross-time cell correspondences nor continuous trajectories are observed, so the snapshot distributions alone do not uniquely determine the underlying dynamics. Existing optimal transport and flow-based methods typically couple cells by Euclidean proximity at observed clock times, which can misalign trajectories when development is asynchronous and cells sampled at the same experimental time occupy different latent pseudotime stages. We propose PACE, a trajectory inference framework that recovers geometry-consistent continuous transport dynamics from destructive time-course snapshots through three coupled components. First, PACE constructs a state- and time-dependent anisotropic Riemannian metric that assigns low transport cost along locally supported tangent directions while penalizing normal velocity components. Second, it alternates between refining cross-time couplings under the induced path-action cost and fitting endpoint-preserving neural bridges between adjacent snapshots. Third, it distills the learned bridge dynamics into a global continuous-time velocity field over cellular states. Across seven controlled and biological datasets covering nine held-out reconstruction experiments, PACE achieves the strongest overall reconstruction performance, reducing MMD, Wasserstein-1 distance, and Wasserstein-2 distance by 23.7% on average relative to the strongest competing baseline. PACE also improves RNA-velocity alignment by 15.4% on an embryoid body differentiation benchmark, without requiring explicit cell pairing, lineage tracing, or RNA-velocity supervision during training. Code is available at https://github.com/AI4Science-WestlakeU/PACE.
Authors: Arkil Patel, Siva Reddy, Marius Mosbach, Dzmitry Bahdanau
Abstract: Progress in language model development is often driven by comparative decisions: which architecture to adopt, which pretraining corpus to use, or which training recipe to apply. Making these decisions well requires reliable performance forecasts, yet the two commonly used signals are fundamentally limited. Cross-entropy loss is poorly aligned with downstream capabilities, and direct downstream evaluation is expensive, sparse, and often uninformative at early training stages. Instead, we propose to construct proxy metrics by aggregating token-level statistics, such as entropy, top-k accuracy, and expert token rank, from a candidate model's next token distribution over expert-written solutions. Across three settings, our proxies consistently outperform loss- and compute-based baselines: 1) For cross-family model selection, they rank a heterogeneous population of reasoning models with mean Spearman Rho = 0.81 (vs. Rho = 0.36 for cross-entropy loss); 2) For pretraining data selection, they reliably rank 25 candidate corpora for a target model at roughly $10{,}000\times$ less compute than direct evaluation, pushing the Pareto frontier beyond existing methods; and 3) for training-time forecasting, they extrapolate downstream accuracy across an $18\times$ compute horizon with roughly half the error of existing alternatives. Together, these results suggest that expert trajectories are a broadly useful source of signal for assessing model capabilities, enabling reliable performance forecasting throughout the model development life cycle.
Authors: Shen Lin, Junhao Dong, Rongjie Chen, Xiaoyu Zhang, Li Xu, Xiaofeng Chen
Abstract: Vision-language models (VLMs) have shown remarkable ability in aligning visual and textual representations, enabling a wide range of multimodal applications. However, their large-scale training data inevitably raises concerns about privacy, copyright, and undesirable content, creating a strong need for machine unlearning. While existing studies mainly focus on single-shot unlearning, practical VLM deployment often involves sequential removal requests over time, giving rise to continual machine unlearning. In this work, we make the first attempt to study continual unlearning for VLMs and identify three key challenges in this setting: effectiveness in removing target knowledge, fidelity in preserving retained model utility, and persistence in preventing knowledge re-emergence under sequential updates. To address these challenges, we propose CATA, a conflict-averse task arithmetic method that represents each forget request as an unlearning task vector. By maintaining historical task vectors and performing sign-aware conflict-averse aggregation, CATA suppresses conflicting update components that may weaken previous forgetting effects. Extensive experiments under both single-shot and continual settings show that CATA outperforms baselines in terms of forgetting effectiveness, model fidelity, and forgetting persistence.
Authors: Josia John, Maximilian Probst Gutenberg, Simon Meierhans
Abstract: In the graph label selection problem, one is given an $n$-vertex graph and a budget $k$, and seeks to select $k$ vertices whose labels enable accurate prediction of the labels on the remaining vertices. This problem formalizes distilling a small representative set from the whole graph. We present the first $\tilde{O}(\log^{1.5} n)$-approximation algorithm for graph label selection under the standard budget constraint. Prior work either relies on resource augmentation, allowing substantially more than $k$ labeled vertices, or consists primarily of heuristics without provable guarantees. Finally, we demonstrate that practical heuristic variants of our algorithm scale to significantly larger graphs than previous methods, while essentially retaining their quality.
Authors: Juozas Dautartas, Olga Kurasova, Juozapas Rokas \v{C}ypas, Viktor Medvedev
Abstract: Machine learning-based malware detectors are widely deployed in antivirus and endpoint detection systems, yet their reliance on static features makes them vulnerable to adversarial manipulation. This paper investigates whether a malware sample can be intentionally misclassified as a specific benign software category, not merely as "not malware", by adding a small number of Win32 API imports characteristic of that selected category, without removing any existing imports or retraining the detector. We propose a framework centered on a Conditional Variational Autoencoder (CVAE) whose decoder is strictly additive. It can introduce new API calls but never remove existing ones, preserving malware functionality by design. For each malware sample, the framework automatically identifies which benign category it most closely resembles and uses that as the evasion target. A knowledge-distilled differentiable proxy enables gradient-based training against the non-differentiable ensemble detector. Experiments on a six-class dataset of binary Win32 API import vectors extracted from 3,799 Windows executables (five benign categories, one malware class) show that, against a detector achieving 87.5% malware recall, adding just 20 API imports reduces recall to 30%. At k=20, among samples that evaded detection, 99% are classified as the intended target category. The CVAE outperforms both a frequency-based baseline and random selection at every tested injection size (k = 5 to 50). Validation on real PE files submitted to VirusTotal confirms that the attack transfers to commercial static detection engines, with an average 54.5% reduction in flagging engines. These findings expose a concrete vulnerability in API-based malware classifiers and demonstrate that targeted evasion into a chosen benign category is achievable with minimal, functionality-preserving modifications.
Authors: Arnab Auddy, Xiangni Peng, Subhadeep Paul
Abstract: Federated Learning is a leading framework for training ML and AI models collaboratively across numerous user devices or databases. We study the trade-offs among estimation accuracy, privacy constraints, and communication cost for differentially private (DP) federated M estimation. The two standard methods in the literature are FedAvg, which may suffer from high federation bias, and FedSGD, which can incur high communication cost. Aimed at improving accuracy at a reduced communication cost, we propose FedHybrid, which uses FedSGD starting with an improved initialization by the FedAvg estimator. We propose FedNewton, which averages local Newton iterations to reduce bias in FedAvg, achieving an estimation accuracy comparable to FedSGD with much fewer communication rounds when the number of clients grows sufficiently slowly. We establish finite sample upper bounds on the mean-squared error rates of the DP versions of these estimators as functions of the number of clients, local sample sizes, privacy budget, and number of iterations. We further derive a minimax lower bound on the MSE of any iterative private federated procedure that provides a benchmark to assess the optimality gap of these methods. We numerically evaluate our methods for training a logistic regression and a neural network on the computer vision datasets MNIST and CIFAR-10.
Authors: Rohit Patel, Alexandre Rezende, Steven McClain
Abstract: As LLM benchmarks saturate, the evaluation community has pursued two strategies to increase difficulty: escalating knowledge demands (GPQA, HLE) or removing knowledge entirely in favor of abstract reasoning (ARC-AGI). The first conflates memorization with capability; the second divorces reasoning from the practical contexts in which it matters. We take a different approach. The Grounded Integration Measure (GIM) is a benchmark of 820 original problems (615 public, 205 private) where difficulty comes from integration; individual problems require coordinating multiple cognitive operations (constraint satisfaction, state tracking, epistemic vigilance, audience calibration) over broadly accessible knowledge, so that reasoning stays grounded in realistic tasks without being gated on specialized expertise. Each problem is an original expert-authored composition, majority with rubric-decomposed scoring (median 6 independently judged criteria). A balanced public--private split provides built-in contamination diagnostic. We calibrate a continuous response 2-parameter logistic (2PL) IRT model over >200k prompt-response pairs across 28 models, producing robust ability estimates that correctly order test-configurations even when raw accuracy is distorted by errors or missing data, addressing a common challenge in benchmark reporting. Using this framework, we present a comprehensive leaderboard spanning 22 models and 47 test-configurations (unique model, thinking-level pairs), and conduct what is to our knowledge the most extensive published study of how test-time compute trades off against model capability on a fixed benchmark: 11 models swept across 35 test-configurations. We observe that within-family configuration choices, such as thinking budget and quantization, matter as much as model selection. We release the evaluation framework, calibrated IRT parameters, and all public problems.
Authors: Thijs L van der Plas, Jacob JW Bakermans, Vishal Nedungadi, Gabriel\.e Tij\=unaityt\.e, Marc Ru{\ss}wurm, Ioannis N Athanasiadis
Abstract: Earth embedding models transform Earth observation data into embeddings uniquely tied to locations on the Earth's surface. These models are typically evaluated in isolation, comparing the downstream task performance across different Earth embeddings. However, spatially aligned embeddings can naturally be fused, providing richer information per location, a capability that isolated evaluations fail to capture. We therefore propose assessing Earth embeddings by their complementarity: the performance gain of fused embeddings over the best single-model baseline. To operationalise this, we introduce an embedding complementarity index applicable to any embedding and task, and evaluate four Earth embedding models (AlphaEarth, Tessera, GeoCLIP, SatCLIP) in isolation, in all pairs, and jointly across six downstream tasks. Fused embeddings outperform the best single model in four out of six tasks, confirming that single-embedding evaluations often underestimate Earth embedding capabilities. Complementarity proves both task- and location-dependent. Further, for a land cover regression task, we find that complementarity is partially determined by the spatial scale of land cover classes. Complementarity reframes Earth embeddings: the greatest future gains may come not from any single Earth embedding model, but from combinations that are better together.
Authors: Amritpal Singh, Andrey Barsky, Mohamed Ali Souibgui, Ernest Valveny, Dimosthenis Karatzas
Abstract: Explainable AI (XAI) techniques are increasingly important for the validation and responsible use of modern deep learning models, but are difficult to evaluate due to the lack of good ground-truth to compare against. We propose a framework that serves as a quantifiable metric for the quality of XAI methods, based on continuous input perturbation. Our metric formally considers the sufficiency and necessity of the attributed information to the model's decision-making, and we illustrate a range of cases where it aligns better with human intuitions of explanation quality than do existing metrics. To exploit the properties of this metric, we also propose a novel XAI method, considering the case where we fine-tune a model using a differentiable approximation of the metric as a supervision signal. The result is an adapter module that can be trained on top of any black-box model to output causal explanations of the model's decision process, without degrading model performance. We show that the explanations generated by this method outperform those of competing XAI techniques according to a number of quantifiable metrics.
Authors: I. B. Spielman amd J. P. Zwolak
Abstract: Virtually all aspects of many-body atomic physics are challenging: experiments are technically demanding, datasets have become enormous, and the memory and CPU requirements for classical simulation of generic quantum systems often scale exponentially with system size. Machine learning (ML) methods are already assisting in each of these areas and are poised to become transformative. Here, we focus on two specific applications of ML to cold-atom-based quantum simulators. These devices generally generate data in the form of images; we first showcase denoising of raw images and then identify solitonic waves in Bose-Einstein condensates. In both of these examples, we comment on the interplay between performance, model complexity, and interpretability.
Authors: Zijian Liu
Abstract: Many tasks in modern machine learning are observed to involve heavy-tailed gradient noise during the optimization process. To manage this realistic and challenging setting, new mechanisms, such as gradient clipping and gradient normalization, have been introduced to ensure the convergence of first-order algorithms. However, adaptive gradient methods, a famous class of modern optimizers that includes popular $\mathtt{Adam}$ and $\mathtt{AdamW}$, often perform well even without any extra operations mentioned above. It is therefore natural to ask whether adaptive gradient methods can converge under heavy-tailed noise without any algorithmic changes. In this work, we take the first step toward answering this question by investigating a special case, $\mathtt{AdaGrad}$, the origin of adaptive gradient methods. We provide the first provable convergence rate for $\mathtt{AdaGrad}$ in non-convex optimization when the tail index $p$ satisfies $4/3
Authors: Minrui Xu, Zilin Wang, Mengyi DENG, Zhiwei Li, Zhicheng Yang, Xiao Zhu, Yinhong Liu, Boyu Zhu, Baiyu Huang, Chao Chen, Heyuan Deng, Fei Mi, Lifeng Shang, Xingshan Zeng, Zhijiang Guo
Abstract: Equipping LLMs with tool-use capabilities via Agentic Reinforcement Learning (Agentic RL) is bottlenecked by two challenges: the lack of scalable, robust execution environments and the scarcity of realistic training data that captures implicit human reasoning. Existing approaches depend on costly real-world APIs, hallucination-prone LLM simulators, or synthetic environments that are often single-turn or depend on pre-collected documents. Moreover, synthetic trajectories are frequently over-specified, resembling instruction sequences rather than natural human intents, reducing their effectiveness for RL training. We introduce EnvFactory, a fully automated framework that addresses both challenges. EnvFactory autonomously explores and verifies stateful, executable tool environments from authentic resources, and synthesizes natural multi-turn trajectories through topology-aware sampling and calibrated refinement, producing grounded queries with implicit intents. Using only 85 verified environments across 7 domains, EnvFactory generates 2,575 SFT and RL trajectories. Despite using significantly fewer environments than prior work, which are often 5 times more, EnvFactory achieves superior training efficiency and downstream performance, improving Qwen3-series models by up to +15% on BFCLv3, +8.6% on MCP-Atlas, and +6% on conversational benchmarks including $\tau^2$-Bench and VitaBench. By fully automating both environment construction and trajectory synthesis, EnvFactory provides a scalable, extensible, and robust foundation for Agentic RL.
Authors: Kenan Majewski, Marcin \.Zugaj
Abstract: Unmanned Aerial Vehicles in dynamic environments face telemetry outages, structural vibrations, and regime-dependent noise that invalidate the stationary covariance assumptions of classical Kalman filters. The Sage-Husa Kalman Filter (SHKF) estimates noise statistics online, but its reliance on a static, scalar forgetting factor forces a strict compromise between steady-state stability and transient responsiveness. We introduce the N-Deep Recurrent Sage-Husa Filter (NDR-SHKF), which replaces this scalar parameter with a vector-valued memory attenuation policy learned by a hierarchical recurrent network operating on whitened innovation sequences. A bifurcated architecture routes shallow recurrent states to capture instantaneous sensor anomalies and deep states to encode sustained dynamic trends, while an auxiliary reconstruction objective prevents feature collapse. The complete filter, including recursive covariance updates, is trained end-to-end via backpropagation through time to directly minimize state estimation error. Evaluations on topologically distinct chaotic attractors demonstrate cross-domain generalization, outperforming purely data-driven baselines that diverge under out-of-distribution dynamics. Furthermore, evaluations on recorded real-world UAV flight datasets validate the framework's practical viability, demonstrating its capacity to bridge transitions into proprioceptive dead reckoning and outperform classical adaptive estimators during sensor outages.
Authors: Matthew L. Smith, Jonathan P. Shock, Samuel T. Segun, Iyiola E. Olatunji, Tegawend\'e F. Bissyand\'e
Abstract: While scaling laws govern aggregate large language model performance, no scaling law has linked factual recall to both model size and training-data composition. We evaluated 38 models on over 8,900 scholarly references evaluated by an automated reference verification system. Recall quality follows a sigmoid in the log-linear combination of model parameter count and topic representation in training data. These two variables alone explain 60% of the variance across 16 dense models from four families, rising to 74-94% within individual families. The form matches a superposition-inspired account in which recall is gated by a signal-to-noise ratio: signal strength scales with concept frequency and the noise floor with model capacity.
Authors: Miguel Farinha, Ronald Clark
Abstract: We present PIXLRelight, a feed-forward approach for physically controllable single-image relighting. Existing methods either provide limited lighting control (e.g. through text or environment maps), accumulate errors when chaining inverse and forward rendering, or require costly per-image optimization. Our key idea is to bridge physically based rendering (PBR) and learned image synthesis through a shared intrinsic conditioning that can be obtained from either real photographs or PBR renders. At training time, paired multi-illumination photographs are decomposed into albedo, diffuse shading, and non-diffuse residuals, which condition the model. At inference time, the same conditioning is computed from a path-traced render of a coarse 3D reconstruction of the input under user-specified PBR lights. A transformer-based neural renderer then applies the target illumination to the source photograph, preserving fine image detail through a per-pixel affine modulation. PIXLRelight enables arbitrary PBR-style lighting control, achieves state-of-the-art relighting quality, and runs in under a tenth of a second per image. Code and models are available at https://mlfarinha.github.io/pixl-relight/.
Authors: Qianhao Yuan, Jie Lou, Xing Yu, Hongyu Lin, Le Sun, Xianpei Han, Yaojie Lu
Abstract: Multimodal Large Language Models (MLLMs) still struggle with fine-grained visual understanding, where answers often depend on small but decisive evidence in the full image. We observe a regional-to-global perception gap: the same MLLM answers fine-grained questions more accurately when conditioned on evidence-centered crops than on the corresponding full images, suggesting that many failures stem from difficulty to focus on relevant evidence rather than insufficient local recognition ability. Motivated by this observation, we propose Vision-OPD (Vision On-Policy Distillation), a regional-to-global self-distillation framework that transfers the model's own privileged regional perception to its full-image policy. Vision-OPD instantiates two conditional policies from the same MLLM: a crop-conditioned teacher and a full-image-conditioned student. The student generates on-policy rollouts, and Vision-OPD minimizes token-level divergence between the teacher and student next-token distributions along these rollouts. This enables the model to internalize the benefit of visual zooming without external teacher models, ground-truth labels, reward verifiers, or inference-time tool use. Experiments on multiple fine-grained visual understanding benchmarks show that Vision-OPD models achieve competitive or superior performance against much larger open-source, closed-source, and "Thinking-with-Images" agentic models.
Authors: Lifu Wei, Yinuo Ren, Naichen Shi, Yiping Lu
Abstract: Diffusion-based generative models increasingly rely on inference-time guidance, adding a drift term or reweighting mixture of experts, to improve sample quality on task-specific objectives. However, most existing techniques require repeated score or gradient evaluations, introducing bias, high computational overhead, or both. We introduce \texttt{URGE}, Unbiased Resampling via Girsanov Estimation, a derivative-free inference-time scaling algorithm that performs path-wise importance reweighting via a Girsanov change of measure. Instead of computing gradient-based particle weights in previous work, \texttt{URGE} attaches a simple multiplicative weight to each simulated trajectory and periodically resamples. No score, no Hessian, and no PDE evaluation is required. We establish an equivalence between path-wise and particle-wise SMC: the Girsanov path weight admits a backward conditional expectation that recovers the previous particle-level weights, guaranteeing that both schemes produce the same unbiased terminal law. Empirically, \texttt{URGE} outperforms existing inference-time guidance baselines on synthetic tests and diffusion-model benchmarks, achieving better generation quality, while being significantly simpler to implement and fully gradient-free.
Authors: Yining Hong, Jiageng Liu, Han Yin, Manling Li, Leonidas Guibas, Li Fei-Fei, Jiajun Wu, Yejin Choi
Abstract: Spatial intelligence unfolds through a perception-action loop: agents act to acquire observations, and reason about how observations vary as a function of action. Rather than passively processing what is seen, they actively uncover what is unseen - occluded structure, dynamics, containment, and functionality that cannot be resolved from passive sensing alone. We move beyond prior formulations of spatial intelligence that assume oracle observations by recasting the observer as an actor. We introduce ESI-BENCH, a comprehensive benchmark for embodied spatial intelligence spanning 10 task categories and 29 subcategories built on OmniGibson, grounded in Spelke's core knowledge systems. Agents must decide what abilities to deploy - perception, locomotion, and manipulation - and how to sequence them to actively accumulate task-relevant evidence. We conduct extensive experiments on state-of-the-art MLLMs and find that active exploration substantially outperforms passive counterparts, with agents spontaneously discovering emergent spatial strategies without explicit instructions, while random multi-view often adds noise rather than signal despite consuming far more images. Most failures stem not from weak perception but from action blindness: poor action choices lead to poor observations, which in turn drive cascading errors. While explicit 3D grounding stabilizes reasoning on depth-sensitive tasks, imperfect 3D representation proves more harmful than 2D baselines by distorting spatial relations. Human studies further reveal that unlike humans who seek falsifying viewpoints and revise beliefs under contradiction, models commit prematurely with high confidence regardless of evidence quality, exposing a metacognitive gap that neither better perception nor more embodied interaction alone can close.
Authors: Ruitao Liu (Tsinghua University), Xinyang Tian (Tsinghua University), Shuo Chen (Tsinghua University), Tingrui Zhang (Tsinghua University), Guang Yang (Tsinghua University), Alan Zhao (Scitix AI), Wei Xu (Tsinghua University)
Abstract: Pipeline parallelism is a key technique for scaling large-model training, but modern workloads exhibit runtime variability in computation and communication. Existing pipeline systems typically consume static, profiled, or adaptively generated schedules as pre-committed execution orders. When realized task readiness diverges from the pre-committed order, stages may wait for not-yet-ready work even though other executable work is available, creating stage misalignment, idle bubbles, and reduced utilization. We present Runtime-Readiness-First Pipeline (RRFP), a readiness-driven runtime for pipeline-parallel training. RRFP changes how schedules are consumed at runtime: instead of treating a schedule as a sequence that stages must wait to follow, it treats the schedule as a non-binding hint order for ranking currently ready work. To support this model, RRFP combines message-driven asynchronous communication, lightweight tensor-parallel coordination for collective consistency, and ready-set arbitration for low-overhead dispatch. We implement RRFP in a Megatron-based training framework and evaluate it on language-only and multimodal workloads at up to 128 GPUs. RRFP improves over fixed-order pipeline baselines across all settings. Using the BFW hint, RRFP achieves up to 1.77$\times$ speedup on language-only workloads and up to 2.77$\times$ on multimodal workloads. In cross-framework comparisons, RRFP with the default BF hint outperforms the faster available external system by up to 1.84$\times$ while preserving training correctness.
Authors: Yuxiang Huang, Nuno M. T. Gon\c{c}alves, Federico Alvetreti, Lei Li, Xu Han, Edoardo M. Ponti, Andr\'e F. T. Martins, Marcos V. Treviso
Abstract: Current hierarchical attention methods, such as NSA and InfLLMv2, select the top-k relevant key-value (KV) blocks based on coarse attention scores and subsequently apply fine-grained softmax attention on the selected tokens. However, the top-k operation assumes the number of relevant tokens for any query is fixed and it precludes the gradient flow between the sparse and dense stages. In this work, we propose DashAttention (Differentiable and Adaptive Sparse Hierarchical Attention), which leverages the adaptively sparse $\alpha$-entmax transformation to select a variable number of blocks according to the current query in the first stage. This in turn provides a prior for the second-stage softmax attention, keeping the entire hierarchy fully differentiable. Contrary to other hierarchical attention methods, we show that DashAttention is non-dispersive, translating to better long-context modeling ability. Experiments with large language models (LLMs) show that DashAttention achieves comparable accuracy as full attention with 75% sparsity and a better Pareto frontier than NSA and InfLLMv2, especially in high-sparsity regimes. We also provide an efficient, GPU-aware implementation of DashAttention in Triton, which achieves a speedup of up to over FlashAttention-3 at inference time. Overall, DashAttention offers a cost-effective strategy to model long contexts.
Authors: Zhe Li, Shiyi Qi, Yiduo Li, Zenglin Xu
Abstract: Introduction: Long-term time series forecasting (LTSF) has gained significant attention in recent years. While various specialized designs exist for capturing temporal dependency, recent studies have shown that even a single linear layer can achieve competitive performance. This paper investigates the intrinsic effectiveness of recent LTSF approaches and reveals the critical role of affine mapping. Materials and methods: We conduct comprehensive experiments on both simulated and real-world datasets to analyze the components of state-of-the-art models. A theoretical analysis is provided to explain the working mechanisms of affine mapping in periodic signal forecasting. We evaluate the impact of reversible normalization and input horizon extension on model robustness. Results: We find that (1) affine mapping dominates forecasting performance across commonly utilized benchmarks, with models learning similar transition matrices from input to output; (2) affine mapping effectively captures periodic patterns but struggles with non-periodic signals or time series with varying periods across channels; (3) reversible normalization significantly enhances trend forecasting by transforming non-periodic trends into periodic-like patterns; (4) increasing input horizon improves performance on multi-channel data with different periods. Code is available at: \url{https://github.com/plumprc/RTSF}. Conclusions: Our findings provide theoretical and experimental insights into the working mechanisms of LTSF models, highlighting both the strengths and limitations of linear approaches. The results suggest that future model development should focus on handling cross-channel period variations and non-periodic components.
Authors: Laura Iacovissi, Nan Lu, Robert C. Williamson
Abstract: Corruption is notoriously widespread in data collection. Despite extensive research, the existing literature predominantly focuses on specific settings and learning scenarios, lacking a unified view of corruption modelization and mitigation. In this work, we develop a general theory of corruption, which incorporates all modifications to a supervised learning problem, including changes in model class and loss. Focusing on changes to the underlying probability distributions via Markov kernels, our approach leads to three novel opportunities. First, it enables the construction of a novel, provably exhaustive corruption framework, distinguishing among different corruption types. This serves to unify existing models and establish a consistent nomenclature. Second, it facilitates a systematic analysis of corruption's consequences on learning tasks, by comparing Bayes risks in the clean and corrupted scenarios. Notably, while label corruptions affect only the loss function, attribute corruptions additionally influence the hypothesis class. Third, building upon these results, we investigate mitigations for various corruption types. We expand existing loss-correction methods for label corruption to handle dependent corruption types. Our findings highlight the necessity to generalize this classical corruption-corrected learning framework to a new paradigm with weaker requirements to encompass more corruption types. We provide such a paradigm as well as loss correction formulas in the attribute and joint corruption cases.
Authors: Dimitris Bertsimas, Cheol Woo Kim
Abstract: We propose a machine learning approach to the optimal control of multiclass fluid queueing networks (MFQNETs) that provides explicit and insightful control policies. We prove that a piecewise constant optimal policy exists for MFQNET control problems, with segments separated by hyperplanes passing through the origin. We use Optimal Classification Trees with hyperplane splits (OCT-H) to learn an optimal control policy for MFQNETs. We use numerical solutions of MFQNET control problems as a training set and apply OCT-H to learn explicit control policies. Furthermore, we show that both the theoretical results and the proposed algorithm extend to robust MFQNETs with uncertain service and arrival rates. We report experimental results with up to 33 servers and 99 classes that demonstrate that the learned policies achieve 100% accuracy on the test set. While the offline training of OCT-H can take days in large networks, the online application takes milliseconds.
Authors: Luyao Guo, Sulaiman A. Alghunaim, Kun Yuan, Laurent Condat, Jinde Cao
Abstract: The ProxSkip algorithm for distributed optimization is gaining increasing attention due to its effectiveness in reducing communication. However, existing analyses of ProxSkip are limited to the strongly convex setting and fail to achieve linear speedup with respect to the number of nodes. Key questions regarding its behavior in the non-convex setting and the achievability of linear speedup remain open. In this paper, we revisit decentralized ProxSkip and answer these questions affirmatively. We provide a unified convergence analysis for stochastic non-convex, convex, and strongly convex problems, revealing how gradient noise, local updates, network connectivity, and data heterogeneity jointly determine the convergence behavior. To the best of our knowledge, this is the first analysis showing that decentralized ProxSkip achieves linear speedup in the number of nodes under stochastic gradients. Moreover, our results demonstrate that local updates can effectively reduce communication frequency and improve communication efficiency.
Authors: Patara Trirat, Yooju Shin, Junhyeok Kang, Youngeun Nam, Jihye Na, Minyoung Bae, Joeun Kim, Byunghyun Kim, Jae-Gil Lee
Abstract: Time-series data exists in every corner of real-world systems and services, ranging from satellites in the sky to wearable devices on human bodies. Learning representations by extracting and inferring valuable information from these time series is crucial for understanding the complex dynamics of particular phenomena and enabling informed decisions. With the learned representations, we can perform numerous downstream analyses more effectively. Among several approaches, deep learning has demonstrated remarkable performance in extracting hidden patterns and features from time-series data without manual feature engineering. This survey first presents a novel taxonomy based on three fundamental elements in designing state-of-the-art universal representation learning methods for time series. According to the proposed taxonomy, we comprehensively review existing studies and discuss their intuitions and insights into how these methods enhance the quality of learned representations. Finally, as a guideline for future studies, we summarize commonly used experimental setups and datasets and discuss several promising research directions. An up-to-date corresponding resource is available at https://github.com/itouchz/awesome-deep-time-series-representations.
URLs: https://github.com/itouchz/awesome-deep-time-series-representations.
Authors: Marshal Arijona Sinaga, Julien Martinelli, Samuel Kaski
Abstract: Preferential Bayesian optimization (PBO) learns latent utilities from pairwise comparisons, but most existing methods assume homoscedastic comparison noise. This is inadequate in human-in-the-loop settings, where a user may compare some designs reliably and others only hesitantly. We propose a heteroscedastic noise model for PBO: before optimization, the user provides a small set of reliable examples, called anchors, and a kernel density estimator (KDE) turns these anchors into an input-dependent map of user uncertainty. We incorporate this map into preferential GP surrogates and derive risk-averse acquisition functions that trade off utility and ease of comparison. We further show that a risk-adjusted variant of the popular expected utility of the best option (EUBO) preserves the one-step Bayes-optimality guarantee up to an additive constant, and that under an idealized i.i.d. anchor model the KDE estimator enjoys standard consistency and concentration rates. Experiments on synthetic problems and human-preference datasets show improved risk-adjusted performance and clarify how anchor placement affects the method.
Authors: Hanye Zhao, Xiaoshen Han, Zhengbang Zhu, Minghuan Liu, Yong Yu, De-Chuan Zhan, Weinan Zhang
Abstract: With the great success of diffusion models (DMs) in generating realistic synthetic vision data, many researchers have investigated their potential in decision-making and control. Most of these works utilized DMs to sample directly from the trajectory space, where DMs can be viewed as a combination of dynamics models and policies. In this work, we explore how to decouple DMs' ability as dynamics models in fully offline settings, allowing the learning policy to roll out trajectories. As DMs learn the data distribution from the dataset, their intrinsic policy is actually the behavior policy induced from the dataset, which results in a mismatch between the behavior policy and the learning policy. We propose Dynamics Diffusion, short as DyDiff, which can inject information from the learning policy to DMs iteratively. DyDiff ensures long-horizon rollout accuracy while maintaining policy consistency and can be easily deployed on model-free algorithms. We provide theoretical analysis to show the advantage of DMs on long-horizon rollout over models and demonstrate the effectiveness of DyDiff in the context of offline reinforcement learning, where the rollout dataset is provided but no online environment for interaction.
Authors: Kai Gan, Tong Wei, Min-Ling Zhang
Abstract: While long-tailed semi-supervised learning (LTSSL) has attracted growing attention in many real-world classification tasks, existing LTSSL algorithms typically assume that labeled and unlabeled data share nearly identical class distributions. When this assumption is violated, these methods can perform poorly because they rely on biased model-generated pseudo-labels. To address this issue, we propose a simple yet effective approach called DeCon for LTSSL with unknown unlabeled class distributions. Specifically, DeCon decouples learning into two specialized branches: a standard branch that focuses on head classes and a balanced branch that focuses on tail classes. During training, the two branches interact and gradually converge, allowing them to complement each other and ultimately achieve strong performance across all classes. Despite its simplicity, we show that DeCon achieves state-of-the-art performance on a variety of standard LTSSL benchmarks, e.g., an averaged 2.7\% absolute increase in test accuracy against existing algorithms when the class distributions of labeled and unlabeled data are mismatched. Even when the class distributions are identical, DeCon consistently outperforms many sophisticated LTSSL algorithms. Furthermore, we conduct extensive ablation analyses to tease apart the factors that are the most important to the success of DeCon. The source code is available at \url{https://github.com/Gank0078/DeCon}.
Authors: Shifei Ding, Benyu Wu, Xiao Xu, Ling Ding, Xindong Wu
Abstract: Employing graph neural networks (GNNs) for graph clustering has shown promising results in deep graph clustering. However, existing methods disregard the reciprocal relationship between representation learning and structure augmentation: the more homogeneous the graph, the more cohesive the node representations; the more cohesive the node representations, the more reliable the structure augmentation becomes. Moreover, the generalization ability of existing GNN-based models on the low homophily graph is relatively poor. To this end, we propose a graph clustering framework named Synergistic Deep Graph Clustering Network (SynC). SynC employs a Transform Input Graph Auto-Encoder (TIGAE) to obtain high-quality embeddings via mitigating the representations collapse issue of GAE for guiding structure augmentation. Then, we re-capture neighborhood representations on the refined graph to obtain clustering-friendly embeddings and conduct self-supervised clustering. Notably, these two stages share weights, resulting in synergistic boosting while significantly reducing the number of model parameters. Additionally, we introduce a structure fine-tuning strategy to improve the model's generalization on the low homophily graph. Extensive experiments on benchmark datasets demonstrate the superiority of SynC. The code is released at GitHub.
Authors: Guanwen Xie, Jingzehua Xu, Yiyuan Yang, Yimian Ding, Shuai Zhang
Abstract: Achieving the effective design and improvement of reward functions in reinforcement learning (RL) tasks with complex custom environments and multiple requirements presents considerable challenges. In this paper, we propose ERFSL, an efficient reward function searcher using LLMs, which enables LLMs to be effective white-box searchers and highlights their advanced semantic understanding capabilities. Specifically, we generate reward components for each numerically explicit user requirement and employ a reward critic to identify the correct code form. Then, LLMs assign weights to the reward components to balance their values and iteratively adjust the weights without ambiguity and redundant adjustments by flexibly adopting directional mutation and crossover strategies, similar to genetic algorithms, based on the context provided by the training log analyzer. We applied the framework to a customized data collection RL task without direct human feedback or reward examples (zero-shot learning). The reward critic successfully corrects the reward code with only one feedback instance for each requirement, effectively preventing unrectifiable errors. The initialization of weights enables the acquisition of different reward functions within the Pareto solution set without the need for weight search. Even in cases where a weight is 500 times off, on average, only 5.2 iterations are needed to meet user requirements. The ERFSL also works well with most prompts utilizing GPT-4o mini, as we decompose the weight searching process to reduce the requirement for numerical and long-context understanding capabilities.
Authors: Kutay B\"olat, Simon Tindemans
Abstract: Generative modelling of multi-user datasets has become prominent in science and engineering. Generating a data point for a given user requires employing user information, and conventional generative models, including variational autoencoders (VAEs), often ignore this. This paper introduces GUIDE-VAE, a novel conditional generative model that leverages user embeddings to generate user-guided data. By leveraging shared patterns across users, GUIDE-VAE improves performance in multi-user settings, even under significant data imbalance. In addition to integrating user information, GUIDE-VAE incorporates a pattern dictionary-based covariance composition (PDCC) to improve the realism of generated samples by capturing complex feature dependencies. While user embeddings drive performance gains, PDCC addresses common issues such as noise and over-smoothing typically seen in VAEs. The proposed GUIDE-VAE was evaluated on a multi-user smart meter dataset characterised by substantial data imbalance across users. Quantitative results show that GUIDE-VAE performs effectively on both synthetic data generation and missing-record imputation tasks, while qualitative evaluations indicate that it produces more plausible and less noisy data. These results establish GUIDE-VAE as a promising tool for controlled, realistic data generation in multi-user datasets, with potential applications across domains that require user-informed modelling.
Authors: Abhay Kumar Pathak, Mrityunjay Chaubey, Manjari Gupta
Abstract: Cardiovascular diseases (CVDs) are any serious illness of the heart, which require accurate diagnosis to prevent fatal consequences. Hyperparameter tuning plays a critical role in optimizing machine learning model performance by selecting the most suitable parameter configurations for improved accuracy, generalization, and reliability. Grid search systematically evaluates predefined hyperparameter combinations, whereas random search samples configurations randomly from the search space enabling broader exploration with reduced computational cost. Therefore, an efficient tuning strategy is essential when developing classification models where time plays an crucial role along with the predictive capability. In this work, we propose a new hyperparameter tuning approach to tune the hyperparameters of ML models for CVD classification. The proposed random grid search combines the power of random search to explore the global space with the focused and exhaustive search of grid search in the most promising areas. This hybrid approach finds an optimal balance between exploration and exploitation and yields a robust and time-efficient ML model for classification seetings. Experimental results on state of the art models demonstrated that randomised grid search performed better than traditional hyperparameter tuning methods. In addition to the observed improvement in model performance, the computational time required for training models was substantially reduced across most of the models. Presented results of the proposed study emphasizes the reduction in training time and computational efficiency of the proposed Randomized-Grid Search method. The proposed technique has significant potential to advance ML application in healthcare providing timely and accurate CVDs diagnosis.
Authors: J. Antonio Lara Benitez, Kareem Hegazy, Junyi Guo, Ivan Dokmani\'c, Michael W. Mahoney, Maarten V. de Hoop
Abstract: Nonlinear conservation laws govern a broad class of important physical systems in science and industry and are central to scientific machine learning (SciML). Large general-purpose models offer speed, but replacing the numerical and physical structure of solvers often compromises stability, accuracy, and physical faithfulness. Here, we aim to balance the general inductive bias of conservation with the flexibility and speed of neural networks through a conservation-aware SciML backbone, which we call Neural Discrete Equilibrium (NeurDE). NeurDE places machine learning inside a kinetic solver by learning the local equilibrium closure of a Boltzmann formulation. The kinetic solver still performs transport, relaxation, moment recovery, and conservation; the neural network provides only the nonlinear equilibrium target. We test NeurDE on $6$ conserved systems, including three very challenging subsonic, transonic, and supersonic shock systems. NeurDE outperforms state-of-the-art SciML methods, including neural operators and pretrained SciML foundation models that are $10^4$ and $10^6$ times larger, respectively. Most notably, NeurDE improves upon the numerical method from which it is derived. NeurDE therefore provides a compact target for scientific machine learning in conservative simulation: learn the equilibrium law toward which the system relaxes, not the evolution law itself.
Authors: Yunbo Long, Liming Xu, Alexandra Brintrup
Abstract: Current evaluations of synthetic tabular data mainly focus on how well joint distributions are modeled, often overlooking the assessment of their effectiveness in preserving realistic event sequences and coherent entity relationships across columns.This paper proposes three evaluation metrics designed to assess the preservation of logical relationships among columns in synthetic tabular data. We validate these metrics by assessing the performance of both classical and state-of-the-art generation methods on a real-world industrial dataset.Experimental results reveal that existing methods often fail to rigorously maintain logical consistency (e.g., hierarchical relationships in geography or organization) and dependencies (e.g., temporal sequences or mathematical relationships), which are crucial for preserving the fine-grained realism of real-world tabular data. Building on these insights, this study also discusses possible pathways to better capture logical relationships while modeling the distribution of synthetic tabular data. The code is available at https://github.com/Yunbo-max/TabLogicEval.
Authors: Peiliang Zhang, Jingling Yuan, Qing Xie, Yongjun Zhu, Lin Li
Abstract: Molecular Relational Learning (MRL) is widely applied in natural sciences to predict relationships between molecular pairs by extracting structural features. The representational similarity between substructure pairs determines the functional compatibility of molecular binding sites. Nevertheless, aligning substructure representations by attention mechanisms lacks guidance from chemical knowledge, resulting in unstable model performance in chemical space (\textit{e.g.}, functional group, scaffold) shifted data. With theoretical justification, we propose the \textbf{Re}presentational \textbf{Align}ment with Chemical Induced \textbf{Fit} (ReAlignFit) to enhance the stability of MRL. ReAlignFit dynamically aligns substructure representation in MRL by introducing chemical Induced Fit-based inductive bias. In the induction process, we design the Bias Correction Function based on substructure edge reconstruction to align representations between substructure pairs by simulating chemical conformational changes (dynamic combination of substructures). ReAlignFit further integrates the Subgraph Information Bottleneck during fit process to refine and optimize substructure pairs exhibiting high chemical functional compatibility, leveraging them to generate molecular embeddings. Experimental results on nine datasets demonstrate that ReAlignFit outperforms state-of-the-art models in two tasks and significantly enhances model's stability in both rule-shifted and scaffold-shifted data distributions.
Authors: Kacper Sokol, Santo M. A. R. Thies, Eyke H\"ullermeier
Abstract: In this paper we argue that, to its detriment, transparency research overlooks many foundational concepts of artificial intelligence. As an illustrating example we focus on uncertainty quantification in the context of counterfactual explainability, demonstrating that its broader adoption could address key challenges in the field. To this end, we show how uncertainty can provide a principled unifying framework for counterfactual explainability by expressing the core counterfactual properties in terms of uncertainty, allowing us to build two variants of an explainer upon them -- one based solely on uncertainty estimates and another pairing them with distance measured in the feature space. Our comprehensive experiments illustrate highly competitive performance of our framework when compared to many state-of-the-art methods despite its radically simple design. More broadly, the paper demonstrates that integrating artificial intelligence fundamentals into transparency research promises to yield more reliable, robust and understandable predictive models. We posit that making artificial intelligence explainability truly uncertainty-aware is the first step towards this goal.
Authors: A. Chervov, M. Obozov, A. Soibelman, S. Lytkin, I. Kiselev, S. Fironov, A. Lukyanenko, A. Dolgorukova, A. Ogurtsov, F. Petrov, S. Krymskii, M. Evseev, L. Grunvald, D. Gorodkov, G. Antiufeev, G. Verbii, V. Zamkovoy, L. Cheldieva, I. Koltsov, A. Sychev, A. Eliseev, S. Nikolenko, N. Narynbaev, R. Turtayev, N. Rokotyan, S. Kovalev, A. Rozanov, V. Nelin, S. Ermilov, L. Shishina, D. Mamayeva, A. Korolkova, K. Khoruzhii, A. Romanov
Abstract: This paper is the second in a series of studies on developing efficient artificial intelligence-based approaches to pathfinding on extremely large graphs (e.g. $10^{70}$ nodes) with a focus on Cayley graphs and mathematical applications. The open-source CayleyPy project is a central component of our research. The present paper proposes a novel combination of a reinforcement learning approach with a more direct diffusion distance approach from the first paper. Our analysis includes benchmarking various choices for the key building blocks of the approach: architectures of the neural network, generators for the random walks and beam search pathfinding. We compared these methods against the classical computer algebra system GAP, demonstrating that they "overcome the GAP" for the considered examples. As a particular mathematical application we examine the Cayley graph of the symmetric group with cyclic shift and transposition generators. We provide strong support for the OEIS-A186783 conjecture that the diameter is equal to n(n-1)/2 by machine learning and mathematical methods. We identify the conjectured longest element and generate its decomposition of the desired length. We prove a diameter lower bound of n(n-1)/2-n/2 and an upper bound of n(n-1)/2+ 3n by presenting the algorithm with given complexity. We also present several conjectures motivated by numerical experiments, including observations on the central limit phenomenon (with growth approximated by a Gumbel distribution), the uniform distribution for the spectrum of the graph, and a numerical study of sorting networks. To stimulate crowdsourcing activity, we create challenges on the Kaggle platform and invite contributions to improve and benchmark approaches on Cayley graph pathfinding and other tasks.
Authors: Yunbo Long, Liming Xu, Alexandra Brintrup
Abstract: Synthetic tabular data are increasingly being used to replace real data, serving as an effective solution that simultaneously protects privacy and addresses data scarcity. However, in addition to preserving global statistical properties, synthetic datasets must also maintain domain-specific logical consistency**-**especially in complex systems like supply chains, where fields such as shipment dates, locations, and product categories must remain logically consistent for real-world usability. Existing generative models often overlook these inter-column relationships, leading to unreliable synthetic tabular data in real-world applications. To address these challenges, we propose LLM-TabLogic, a novel approach that leverages Large Language Model reasoning to capture and compress the complex logical relationships among tabular columns, while these conditional constraints are passed into a Score-based Diffusion model for data generation in latent space. Through extensive experiments on real-world industrial datasets, we evaluate LLM-TabLogic for column reasoning and data generation, comparing it with five baselines including SMOTE and state-of-the-art generative models. Our results show that LLM-TabLogic demonstrates strong generalization in logical inference, achieving over 90% accuracy on unseen tables. Furthermore, our method outperforms all baselines in data generation by fully preserving inter-column relationships while maintaining the best balance between data fidelity, utility, and privacy. This study presents the first method to effectively preserve inter-column relationships in synthetic tabular data generation without requiring domain knowledge, offering new insights for creating logically consistent real-world tabular data. The code is available at https://github.com/Yunbo-max/TabKG.
Authors: Fares B. Mehouachi, Saif Eddin Jabari
Abstract: Adversarial training is a cornerstone of robust deep learning, but fast methods like the Fast Gradient Sign Method (FGSM) often suffer from Catastrophic Overfitting (CO), where models become robust to single-step attacks but fail against multi-step variants. While existing solutions rely on noise injection, regularization, or gradient clipping, we propose a novel solution that purely controls the $l^p$ training norm to mitigate CO. Our study is motivated by the empirical observation that CO is more prevalent under the $l^{\infty}$ norm than the $l^2$ norm. Leveraging this insight, we develop a framework for generalized $l^p$ attack as a fixed point problem and craft $l^p$-FGSM attacks to understand the transition mechanics from $l^2$ to $l^{\infty}$. This leads to our core insight: CO emerges when highly concentrated gradients where information localizes in few dimensions interact with aggressive norm constraints. By quantifying gradient concentration through Participation Ratio and entropy measures, we develop an adaptive $l^p$-FGSM that automatically tunes the training norm based on gradient information. Extensive experiments demonstrate that this approach achieves strong robustness without requiring additional regularization or noise injection, providing a novel and theoretically-principled pathway to mitigate the CO problem.
Authors: Anming Gu, Juno Kim
Abstract: The mean-field Langevin dynamics (MFLD) minimizes an entropy-regularized nonlinear convex functional on the Wasserstein space over $\mathbb{R}^d$, and has gained attention recently as a model for the gradient descent dynamics of interacting particle systems such as infinite-width two-layer neural networks. However, many problems of interest have constrained domains, which are not solved by existing mean-field algorithms due to the global diffusion term. We study the optimization of probability measures constrained to a convex subset of $\mathbb{R}^d$ by proposing the \emph{mirror mean-field Langevin dynamics} (MMFLD), an extension of MFLD to the mirror Langevin framework. We obtain linear convergence guarantees for the continuous MMFLD via a uniform log-Sobolev inequality, and uniform-in-time propagation of chaos results for its time- and particle-discretized counterpart.
Authors: Zhaiming Shen, Alex Havrilla, Rongjie Lai, Alexander Cloninger, Wenjing Liao
Abstract: Transformers serve as the foundational architecture for large language and video generation models, such as GPT, BERT, SORA and their successors. Empirical studies have demonstrated that real-world data and learning tasks exhibit low-dimensional structures, along with some noise or measurement error. The performance of transformers tends to depend on the intrinsic dimension of the data/tasks, though theoretical understandings remain largely unexplored for transformers. This work establishes a theoretical foundation by analyzing the performance of transformers for regression tasks involving noisy input data near a manifold. Specifically, the input data are in a tubular neighborhood of a manifold, while the ground truth function depends on the projection of the noisy data onto this manifold, referred to as the task-level manifold. We prove approximation and generalization errors which crucially depend on the intrinsic dimension of the task-level manifold. Our results demonstrate that transformers can leverage low-complexity structures in learning task even when the input data are perturbed by high-dimensional noise. Our novel proof technique constructs representations of basic arithmetic operations by transformers, which may hold independent interest.
Authors: Ziyi Liu, Phuc Luong, Mario Boley, Daniel F. Schmidt
Abstract: Random forest regression is a powerful non-parametric method that adapts to local data characteristics through data-driven partitioning, making it effective across diverse application domains. However, the piecewise constant nature of random forest predictions means each partition is predicted independently, ignoring potential smoothness in the underlying function. Particularly in the small data regime, this lack of information sharing across the input space can lead to suboptimal performance. In this work, we propose a kernel-based smoothing mechanism that enhances random forests by introducing local regularity to their predictions while preserving their adaptive partitioning capabilities. Our approach applies kernel smoothing to the piecewise constant outputs of random forests, effectively combining the adaptability of tree-based methods with the smoothness assumptions of kernel methods. We show that this smoothing procedure can be interpreted as capturing the variability/uncertainty in the tree cut points under resampling of the training inputs. Empirical results demonstrate that the proposed smoothed random forest model consistently improves predictive performance across diverse test cases, particularly in data-scarce settings. Code, datasets, and experiment results are publicly available at https://github.com/Neal-Liu-Ziyi/SmoothedRandomForest.git.
URLs: https://github.com/Neal-Liu-Ziyi/SmoothedRandomForest.git.
Authors: Fares B. Mehouachi, Saif Eddin Jabari
Abstract: We introduce FlowMixer, a single-layer neural architecture that leverages constrained matrix operations to model structured spatiotemporal patterns with enhanced interpretability. FlowMixer incorporates non-negative matrix mixing layers within a reversible mapping framework - applying transforms before mixing and their inverses afterward. This shape-preserving design enables a Kronecker-Koopman eigenmodes framework that bridges statistical learning with dynamical systems theory, providing interpretable spatiotemporal patterns and facilitating direct algebraic manipulation of prediction horizons without retraining. The architecture's semi-group property enables this single layer to mathematically represent any depth through composition, eliminating depth search entirely. Extensive experiments across diverse domains demonstrate FlowMixer's long-horizon forecasting capabilities while effectively modeling physical phenomena such as chaotic attractors and turbulent flows. Our results achieve performance matching state-of-the-art methods while offering superior interpretability through directly extractable eigenmodes. This work suggests that architectural constraints can simultaneously maintain competitive performance and enhance mathematical interpretability in neural forecasting systems.
Authors: Huanrong Liu, Chunlin Tian, Xuyang Wei, Qingbiao Li, Li Li
Abstract: Large language models (LLMs) excel at language understanding and generation, but their enormous computational and memory requirements hinder deployment. Compression offers a potential solution to mitigate these constraints. However, most existing methods rely on fixed heuristics and thus fail to adapt to runtime memory variations or heterogeneous KV-cache demands arising from diverse user requests. To address these limitations, we propose RAP, an elastic pruning framework driven by reinforcement learning (RL) that dynamically adjusts compression strategies in a runtime-aware manner. Specifically, RAP dynamically tracks the evolving ratio between model parameters and KV-cache across practical execution. Recognizing that FFNs house most parameters, whereas parameter -light attention layers dominate KV-cache formation, the RL agent retains only those components that maximize utility within the current memory budget, conditioned on instantaneous workload and device state. Extensive experiments results demonstrate that RAP outperforms state-of-the-art baselines, marking the first time to jointly consider model weights and KV-cache on the fly.
Authors: Xuandong Zhao, Zhewei Kang, Aosong Feng, Sergey Levine, Dawn Song
Abstract: Training large language models (LLMs) for complex reasoning via Reinforcement Learning with Verifiable Rewards (RLVR) is effective but limited by reliance on costly, domain-specific supervision. We explore Reinforcement Learning from Internal Feedback (RLIF), a framework that enables LLMs to learn from intrinsic signals without external rewards or labeled data. We propose Intuitor, an RLIF method that uses a model's own confidence-termed self-certainty-as its sole reward signal. Intuitor replaces external rewards in Group Relative Policy Optimization (GRPO) with self-certainty scores, enabling fully unsupervised learning. Experiments demonstrate that Intuitor matches GRPO's performance on mathematical benchmarks while achieving better generalization to out-of-domain tasks like code generation, without requiring gold solutions or test cases. Our findings show that intrinsic model signals can drive effective learning across domains, offering a scalable alternative to RLVR for autonomous AI systems where verifiable rewards are unavailable. Code is available at https://github.com/sunblaze-ucb/Intuitor
Authors: Chenxiao Fan, Chongming Gao, Wentao Shi, Yaxin Gong, Zihao Zhao, Fuli Feng
Abstract: Accurate and safe medication recommendations are critical for effective clinical decision-making, especially in multimorbidity cases. However, existing systems rely on point-wise prediction paradigms that overlook synergistic drug effects and potential adverse drug-drug interactions (DDIs). We propose FLAME, a fine-grained list-wise alignment framework for large language models (LLMs), enabling drug-by-drug generation of drug lists. FLAME formulates recommendation as a sequential decision process, where each step adds or removes a single drug. To provide fine-grained learning signals, we devise step-wise Group Relative Policy Optimization (GRPO) with potential-based reward shaping, which explicitly models DDIs and optimizes the contribution of each drug to the overall prescription. Furthermore, FLAME enhances patient modeling by integrating structured clinical knowledge and collaborative information into the representation space of LLMs. Experiments on benchmark datasets demonstrate that FLAME achieves state-of-the-art performance, delivering superior accuracy, controllable safety-accuracy trade-offs, and strong generalization across diverse clinical scenarios. Our code is available at https://github.com/cxfann/Flame.
Authors: Xiaomeng Yang, Mengping Yang, Junyan Wang, Zhijian Zhou, Zhiyu Tan, Hao Li
Abstract: Preference learning has garnered extensive attention as an effective technique for aligning diffusion models with human preferences in visual generation. However, existing alignment approaches such as Diffusion-DPO suffer from two fundamental challenges: training instability caused by high gradient variances at various timesteps and high parameter sensitivities, and off-policy bias arising from the discrepancy between the optimization data and the policy models' distribution. Our first contribution is a systematic analysis of diffusion trajectories across different timesteps, identifying that the instability primarily originates from early timesteps with low importance weights. To address these issues, we propose \textbf{SIPO}, a \textbf{S}tabilized and \textbf{I}mproved \textbf{P}reference \textbf{O}ptimization framework for aligning diffusion models with human preferences. Concretely, a key gradient, \emph{i.e.,} DPO-C\&M is introduced to stabilize training by clipping and masking uninformative timesteps. This is followed by a timestep-aware importance-reweighting paradigm to mitigate off-policy bias and emphasize informative updates throughout the alignment process. Extensive experiments on various baseline models including image generation models on SD1.5, SDXL, and video generation models CogVideoX-2B/5B, Wan2.1-1.3B, demonstrate that our SIPO consistently promotes stabilized training and outperforms existing alignment methods that with meticulous adjustments on parameters.Overall, these results suggest the importance of timestep-aware alignment and provide valuable guidelines for improved preference optimization in aligning diffusion models.
Authors: Franziska Heeg, Jonas Sauer, Petra Mutzel, Ingo Scholtes
Abstract: An important characteristic of temporal graphs is how the directed arrow of time influences their causal topology, i.e., which nodes can possibly influence each other causally via time-respecting paths. The resulting patterns are often neglected by temporal graph neural networks (TGNNs). To formally analyze the expressive power of TGNNs, we lack a generalization of graph isomorphism to temporal graphs that fully captures their causal topology. Addressing this gap, we introduce the notion of consistent event graph isomorphism, which utilizes a time-unfolded representation of time-respecting paths in temporal graphs. We compare this definition with existing notions of temporal graph isomorphisms. We illustrate and highlight the advantages of our approach and develop a temporal generalization of the Weisfeiler-Leman algorithm to heuristically distinguish non-isomorphic temporal graphs. Building on this theoretical foundation, we derive a novel message passing scheme for temporal graph neural networks that operates on the event graph representation of temporal graphs. An experimental evaluation shows that our approach performs well in a temporal graph classification experiment.
Authors: Jihun Yun, Juno Kim, Jongho Park, Junhyuck Kim, Jongha Jon Ryu, Jaewoong Cho, Kwang-Sung Jun
Abstract: Alignment via reinforcement learning from human feedback (RLHF) has become the dominant paradigm for controlling the quality of outputs from large language models (LLMs). However, existing theories do not provide strong justification for the RLHF objective itself and do not allow comparisons of the guarantees between various methods because different methods are often analyzed under different frameworks. Toward a unified framework for alignment, we ask under what assumptions can we derive existing or new training objectives and obtain theoretical guarantees. To this end, we reframe alignment as distribution learning from pairwise preferences, which makes a probabilistic assumption describing how preferences reveal information about the target LM. This leads us to propose three principled alignment objectives: preference maximum likelihood estimation, preference distillation, and reverse KL minimization. We prove that they all enjoy strong non-asymptotic $O(1/n)$ convergence to the target LM, naturally avoiding degeneracy. In particular, reverse KL highly resembles the RLHF objective, providing strong justification for RLHF. Furthermore, our theory explains, for the first time, the empirical finding that on-policy objectives (e.g., RLHF) typically outperform likelihood-style objectives (e.g., DPO). Finally, empirical results indicate that the proposed objectives are competitive with strong baselines across several tasks and models.
Authors: Xudong Zhang, Renato Cordeiro de Amorim
Abstract: Unsupervised feature selection is critical for improving clustering performance in high-dimensional data, where irrelevant features can obscure meaningful structure. In this work, we introduce the Minkowski weighted $k$-means++, a novel initialisation strategy for the Minkowski Weighted $k$-means. Our initialisation selects centroids probabilistically using feature relevance estimates derived from the data itself. Building on this, we propose two new feature selection algorithms, FS-MWK++, which aggregates feature weights across a range of Minkowski exponents to identify stable and informative features, and SFS-MWK++, a scalable variant based on subsampling. We support our approach with a theoretical analysis, demonstrating that, under explicit assumptions on noise features and cluster structure, relevant features are assigned consistently higher weights than noise features across a range of Minkowski exponents. Our software can be found at https://github.com/xzhang4-ops1/FSMWK.
Authors: Riccardo Ali, Pietro Li\`o, Jamie Vicary
Abstract: Equivariant neural networks incorporate symmetries through group actions, embedding them as an inductive bias to improve performance. Existing methods learn an equivariant action on the latent space, or design architectures that are equivariant by construction. These approaches often deliver strong empirical results but can involve architecture-specific constraints, large parameter counts, and high computational cost. We challenge the paradigm of complex equivariant architectures with a parameter-free approach grounded in group representation theory. We prove that for an equivariant encoder over a finite group, the latent space must almost surely contain one copy of its regular representation for each linearly independent data orbit, which we explore with a number of empirical studies. Leveraging this foundational algebraic insight, we impose the group's regular representation as an inductive bias via an auxiliary loss, adding no learnable parameters. Our extensive evaluation shows that this method matches or outperforms specialized models in several cases, even those for infinite groups. We further validate our choice of the regular representation through an ablation study, showing it consistently outperforms defining and trivial group representation baselines.
Authors: Xianquan Yan, Hakan Akg\"un, Kenji Kawaguchi, N. Duane Loh, Ching Hua Lee
Abstract: AI is transforming scientific research by revealing new ways to understand complex physical systems, but its impact remains constrained by the lack of large, high-quality domain-specific datasets. A rich, largely untapped resource lies in non-Hermitian quantum physics, where the energy spectra of crystals form intricate geometries on the complex plane -- termed as Hamiltonian spectral graphs. Despite their significance as fingerprints for electronic behavior, their systematic study has been intractable due to the reliance on manual extraction. To unlock this potential, we introduce Poly2Graph: a high-performance, open-source pipeline that automates the mapping of 1-D crystal Hamiltonians to spectral graphs. Using this tool, we present HSG-12M: a dataset containing 11.6 million static and 5.1 million dynamic Hamiltonian spectral graphs across 1401 characteristic-polynomial classes, distilled from 177 TB of spectral potential data. Crucially, HSG-12M is the first large-scale dataset of spatial multigraphs -- graphs embedded in a metric space where multiple geometrically distinct trajectories between two nodes are retained as separate edges. This simultaneously addresses a critical gap, as existing graph benchmarks overwhelmingly assume simple, non-spatial edges, discarding vital geometric information. Benchmarks with popular GNNs expose new challenges in learning spatial multi-edges at scale. Beyond its practical utility, we show that spectral graphs serve as universal topological fingerprints of polynomials, vectors, and matrices, forging a new algebra-to-graph link. HSG-12M lays the groundwork for data-driven scientific discovery in condensed matter physics, new opportunities in geometry-aware graph learning and beyond.
Authors: Zhaiming Shen, Alexander Hsu, Rongjie Lai, Wenjing Liao
Abstract: While in-context learning (ICL) has achieved remarkable success in natural language and vision domains, its theoretical understanding-particularly in the context of structured geometric data-remains unexplored. This paper initiates a theoretical study of ICL for regression of H\"older functions on manifolds. We establish a novel connection between the attention mechanism and classical kernel methods, demonstrating that transformers effectively perform kernel-based prediction at a new query through its interaction with the prompt. This connection is validated by numerical experiments, revealing that the learned query-prompt scores for H\"older functions are highly correlated with the Gaussian kernel. Building on this insight, we derive generalization error bounds in terms of the prompt length and the number of training tasks. When a sufficient number of training tasks are observed, transformers give rise to the minimax regression rate of H\"older functions on manifolds, which scales exponentially with respect to the prompt length with the exponent depending on the intrinsic dimension of the manifold, rather than the ambient space dimension. Our result also characterizes how the generalization error scales with the number of training tasks, shedding light on the complexity of transformers as in-context kernel algorithm learners. Our findings provide foundational insights into the role of geometry in ICL and novels tools to study ICL of nonlinear models.
Authors: Alex Mulrooney, Devansh Gupta, James Flemings, Huanyu Zhang, Murali Annavaram, Meisam Razaviyayn, Xinwei Zhang
Abstract: Differential privacy (DP) protects sensitive data during neural network training, but standard methods like DP-Adam suffer from high memory overhead due to per-sample gradient clipping, limiting scalability. We introduce DP-GRAPE (Gradient RAndom ProjEction), a DP training method that significantly reduces memory usage while maintaining utility on par with first-order DP approaches. DP-GRAPE is motivated by our finding that privatization flattens the gradient singular value spectrum, making SVD-based projections (as in GaLore (Zhao et al., 2024)) unnecessary. Consequently, DP-GRAPE employs three key components: (1) random Gaussian matrices replace SVD-based subspaces, (2) gradients are privatized after projection, and (3) projection is applied during backpropagation. These contributions eliminate the need for costly SVD computations, enable substantial memory savings, and lead to improved utility. Despite operating in lower-dimensional subspaces, our theoretical analysis shows that DP-GRAPE achieves a privacy-utility tradeoff comparable to DP-SGD. Our extensive empirical experiments show that DP-GRAPE can significantly reduce the memory footprint of DP training without sacrificing accuracy or training time. In particular, DP-GRAPE reduces memory usage by over 63% when pre-training Vision Transformers and over 70% when fine-tuning RoBERTa-Large as compared to DP-Adam, while achieving similar performance. We further demonstrate that DP-GRAPE scales to fine-tuning large models such as OPT with up to 6.7 billion parameters, a scale at which DP-Adam fails due to memory constraints. Our code is available at https://github.com/alexmul1114/DP_GRAPE.
Authors: Sina Tabakhi (Cherise), Chen (Cherise), Chen (Cherise), Haiping Lu
Abstract: A key challenge in learning from multimodal biological data is missing modalities, where data from one or more modalities are absent for some patients. Existing approaches either exclude patients with missing modalities, impute missing modalities, or make predictions directly with partial modalities. However, most of these methods rely on inflexible, patient-agnostic fusion strategies and do not scale computationally to the combinatorial growth of missing-modality patterns as the number of modalities increases. To address these limitations, we propose MAGNET (Missing-modality-Aware Graph neural NETwork) to enhance multimodal prediction with partial modalities, featuring a dynamic patient-modality multi-head attention mechanism to fuse lower-dimensional modality embeddings based on their contribution and missingness. MAGNET fusion's complexity increases linearly with the number of modalities while adapting to missing-pattern variability. To generate predictions, MAGNET further constructs a patient graph with fused multimodal embeddings as node features and connectivity determined by the modality missingness, followed by a graph neural network. Experiments on three public multiomics datasets for cancer classification, with real-world missingness, show that MAGNET outperforms state-of-the-art fusion methods. The data and code are available at https://github.com/SinaTabakhi/MAGNET.
Authors: Zelin Zang, WenZhe Li, Yongjie Xu, Chang Yu, Changxi Chi, Jingbo Zhou, Zhen Lei, Stan Z. Li
Abstract: In single-cell research, tracing and analyzing high-throughput single-cell differentiation trajectories is crucial for understanding biological processes. Key to this is the robust modeling of hierarchical structures that govern cellular development. Traditional methods face limitations in computational cost, performance, and stability. VAE-based approaches have made strides but still require branch-specific network modules, limiting their scalability and stability, while often suffering from posterior collapse. To overcome these challenges, we introduce HDTree, a generative modeling framework designed for robust lineage inference. HDTree captures tree relationships within a hierarchical latent space using a unified hierarchical codebook and employs a quantized diffusion process to model continuous cell state transitions. By aligning the generative process with the Waddington landscape, this method not only improves stability and scalability but also enhances the biological plausibility of inferred lineages. HDTree's effectiveness is demonstrated through comparisons on both general-purpose and single-cell datasets, where it outperforms existing methods in lineage inference accuracy, reconstruction quality, and hierarchical consistency. These contributions enable accurate and efficient modeling of cellular differentiation paths, offering reliable insights for biological discovery.\footnote{Code is available at https://github.com/zangzelin/code\_HDTree\_icml.
Authors: Samuele Marro, Philip Torr
Abstract: While the Internet's core infrastructure was designed to be open and universal, today's application layer is dominated by closed, proprietary platforms. Open and interoperable APIs require significant investment, and market leaders have little incentive to enable data exchange that could erode their user lock-in. We argue that LLM-based agents fundamentally disrupt this status quo. Agents can automatically translate between data formats and interact with interfaces designed for humans: this makes interoperability dramatically cheaper and effectively unavoidable. We name this shift universal interoperability: the ability for any two digital services to exchange data seamlessly using AI-mediated adapters. Universal interoperability undermines monopolistic behaviours and promotes data portability. However, it can also lead to new security risks, technical debt, and legal frictions. Our position is that the ML community should embrace this development while building the appropriate frameworks to mitigate the downsides. By acting now, we can harness AI to restore user freedom and competitive markets without sacrificing security.
Authors: Van Khoa Nguyen, Lionel Blond\'e, Alexandros Kalousis
Abstract: Training-free diffusion guidance offers a flexible framework for leveraging off-the-shelf classifiers without additional training. Yet, current approaches hinge on posterior approximations via Tweedie's formula, which often yield unreliable guidance, particularly in low-density regions. Stochastic optimal control (SOC), in contrast, enables principled posterior sampling but remains computationally prohibitive for efficient inference. In this work, we reconcile the strengths of these paradigms by introducing Stein Diffusion Guidance (SDG), a novel training-free framework grounded in a surrogate SOC objective. We establish a new theoretical bound on the SOC value function, revealing the necessity of correcting approximate posteriors to reflect true diffusion dynamics. Building on Stein variational inference, SDG computes the steepest descent direction that minimizes the Kullback-Leibler divergence between approximate and true posteriors. By integrating a principled Stein correction mechanism along with a novel running cost functional, SDG enables effective guidance in low-density regions. Our experiments on diverse image-guidance tasks and on challenging small-ligand sampling for protein docking suggest that SDG consistently outperforms standard training-free guidance methods and highlights its potential for broader posterior sampling problems beyond high-density regimes.
Authors: Xin-De Wang, Zhi-Rui Chen, Peng-Jie Guo, Ze-Feng Gao, Cheng Mu, Zhong-Yi Lu
Abstract: Perovskite solar cells (PSCs) have rapidly emerged as a leading contender in next-generation photovoltaic technologies, owing to their exceptional power conversion efficiencies and advantageous material properties. Despite these advances, challenges such as long-term stability, environmental sustainability, and scalable manufacturing continue to hinder their commercialization. Precursor additive engineering has shown promise in addressing these issues by enhancing both the performance and durability of PSCs. However, the explosive growth of scientific literature and the complex interplay of materials, processes, and device architectures make it increasingly difficult for researchers to efficiently access, organize, and utilize domain knowledge in this rapidly evolving field. To address this gap, we introduce Perovskite-R1, a specialized large language model (LLM) with advanced reasoning capabilities tailored for the discovery and design of PSC precursor additives. By systematically mining and curating 1,232 high-quality scientific publications and integrating a comprehensive library of 33,269 candidate materials, we constructed a domain-specific instruction-tuning dataset using automated question-answer generation and chain-of-thought reasoning. Fine-tuning the QwQ-32B model on this dataset resulted in Perovskite-R1, which can intelligently synthesize literature insights and generate innovative and practical solutions for defect passivation and the selection of precursor additives. Experimental validation of several model-proposed strategies confirms their effectiveness in improving material stability and performance. Our work demonstrates the potential of domain-adapted LLMs in accelerating materials discovery and provides a closed-loop framework for intelligent, data-driven advancements in perovskite photovoltaic research.
Authors: Dien Nguyen, Diego Perez-Liebana, Simon Lucas
Abstract: We introduce JSON Bag-of-Tokens model (JSON-Bag) as a method to generically represent game trajectories by tokenizing their JSON descriptions and apply Jensen-Shannon distance (JSD) as distance metric for them. Using a prototype-based nearest-neighbor search (P-NNS), we evaluate the validity of JSON-Bag with JSD on six tabletop games: 7 Wonders, Dominion, Sea Salt and Paper, Can't Stop, Connect4, Dots and boxes; each over three game trajectory classification tasks: classifying the playing agents, game parameters, or game seeds that were used to generate the trajectories. Our approach outperforms a baseline using hand-crafted features in the majority of tasks. Evaluating on N-shot classification suggests using JSON-Bag prototype to represent game trajectory classes is also sample efficient. Additionally, we demonstrate JSON-Bag ability for automatic feature extraction by treating tokens as individual features to be used in Random Forest to solve the tasks above, which significantly improves accuracy on underperforming tasks. Finally, we show that, across all six games, the JSD between JSON-Bag prototypes of agent classes highly correlates with the distances between agents' policies.
Authors: Ruichen Xu, Kexin Chen
Abstract: Large language models may encounter factual knowledge during pre-training yet fail to reliably use that knowledge after fine-tuning. Despite growing empirical evidence that MLP layers store factual associations and fine-tuning affects factual recall, the training-dynamics mechanisms linking next-token pre-training, knowledge storage, and post-fine-tuning extraction remain poorly understood. We study this problem in a stylized one-layer transformer with self-attention and MLP modules, trained by next-token prediction and subsequently fine-tuned on question-answering data. Under suitable regularity conditions, we first prove that the model reaches near-optimal pre-training loss while learning structured attention patterns and relation-specific feature directions, giving a mechanism for factual knowledge acquisition. We then show that fine-tuning can turn the Q&A prompt format into a trigger for pre-trained relation features, enabling the model to extract facts that are not revisited during fine-tuning. Our analysis yields a relation-covering characterization of knowledge extraction: fine-tuning need not revisit every stored subject-answer pair, but it must cover enough latent relation-template directions through which facts were encoded during pre-training. Consequently, extraction improves with pre-training multiplicity and fine-tuning coverage, but becomes harder as the relation-template universe grows. Conversely, insufficient coverage leads to a failure regime in which facts may be stored but remain inaccessible, providing a stylized mechanism for hallucination. The theory applies to both full and low-rank fine-tuning, offering insight into why low-rank adaptation can recover pre-trained factual knowledge when relation coverage is sufficient. Experiments on synthetic data and PopQA-based GPT-2/Llama models support the predicted trends.
Authors: Changjie Sheng, Zhichao Zhang, Yangfan He
Abstract: Spectral graph embedding plays a critical role in graph representation learning by generating low-dimensional vector representations from graph spectral information. However, the embedding space of traditional spectral embedding methods often exhibit limited expressiveness, failing to exhaustively capture latent structural features across alternative transform domains. To address this issue, we use the graph fractional Fourier transform to extend the existing state-of-the-art generalized frequency filtering embedding (GEFFE) into fractional domains, giving birth to the generalized fractional filtering embedding (GEFRFE), which enhances embedding informativeness via the graph fractional domain.The GEFRFE leverages graph fractional domain filtering and a nonlinear composition of eigenvector components derived from a fractionalized graph Laplacian. To dynamically determine the fractional order, two parallel strategies are introduced: search-based optimization and a ResNet18-based adaptive learning. Extensive experiments on five benchmark datasets demonstrate that the GEFRFE captures richer structural features and significantly enhance classification performance. The GEFRFE provides a new paradigm for the development of graph embedding from the "fixed domain" to the "generalized domain". The results indicate that introducing the GFRFT into the graph embedding domain is a correct and effective research path. Notably, the proposed method retains computational complexity comparable to GEFFE approaches.
Authors: Cas Oude Hoekstra, Floris den Hengst
Abstract: Symbolic Regression (SR) is a well-established framework for generating interpretable or white-box predictive models. Although SR has been successfully applied to create interpretable estimates of the average of the outcome, it is currently not well understood how it can be used to estimate the relationship between variables at other points in the distribution of the target variable. Such estimates of e.g. the median or an extreme value provide a fuller picture of how predictive variables affect the outcome and are necessary in high-stakes, safety-critical application domains. This study introduces Symbolic Quantile Regression (SQR), an approach to predict conditional quantiles with SR. In an extensive evaluation, we find that SQR outperforms transparent models and performs comparably to a strong black-box baseline without compromising transparency. We also show how SQR can be used to explain differences in the target distribution by comparing models that predict extreme and central outcomes in an airline fuel usage case study. We conclude that SQR is suitable for predicting conditional quantiles and understanding interesting feature influences at varying quantiles.
Authors: Ahmed Mujtaba, Gleb Radchenko, Radu Prodan, Marc Masana
Abstract: Federated distillation has emerged as a promising collaborative machine learning approach, offering enhanced privacy protection and reduced communication compared to traditional federated learning by exchanging model outputs (soft logits) rather than full model parameters. However, existing methods employ complex selective knowledge-sharing strategies that require clients to identify in-distribution proxy data through computationally expensive statistical density ratio estimators. Additionally, server-side filtering of ambiguous knowledge introduces latency to the process. To address these challenges, we propose a robust, resource-efficient EdgeFD method that reduces the complexity of the client-side density ratio estimation and removes the need for server-side filtering. EdgeFD introduces an efficient KMeans-based density ratio estimator for effectively filtering both in-distribution and out-of-distribution proxy data on clients, significantly improving the quality of knowledge sharing. We evaluate EdgeFD across diverse practical scenarios, including strong non-IID, weak non-IID, and IID data distributions on clients, without requiring a pre-trained teacher model on the server for knowledge distillation. Experimental results demonstrate that EdgeFD outperforms state-of-the-art methods, consistently achieving accuracy levels close to IID scenarios even under heterogeneous and challenging conditions. The significantly reduced computational overhead of the KMeans-based estimator is suitable for deployment on resource-constrained edge devices, thereby enhancing the scalability and real-world applicability of federated distillation. The code is available online for reproducibility.
Authors: Chenlu Ye, Zhou Yu, Ziji Zhang, Hao Chen, Narayanan Sadagopan, Jing Huang, Tong Zhang, Anurag Beniwal
Abstract: Reinforcement Learning with Verifiable Rewards (RLVR) improves final-answer accuracy on reasoning tasks, but it does not reliably improve reasoning quality. Because outcome rewards only assess final answers, they also reward spurious successes: flawed reasoning can still receive maximal reward when it accidentally reaches the correct outcome. This outcome reward hacking creates biased gradients, making current RLVR insufficient for learning faithful reasoning. Process Reward Models (PRMs) provide step-wise supervision, but directly optimizing PRMs or naively combining them with outcome rewards is unstable under distribution shift during RL training process. We introduce PRocess cOnsistency Filter (PROF), a data curation method that uses PRM--ORM consistency for sample selection rather than direct reward optimization. PROF keeps correct responses with strong process support and incorrect responses with weak process support while maintaining a balanced training ratio. Experiments show that PROF consistently improves both final-answer accuracy and intermediate reasoning quality over strong baselines, with less dependence on strong PRMs.
Authors: Lishan Yang, Wei Emma Zhang, Nam Kha Nguygen, Po Hu, Yanjun Shu, Weitong Chen, Mong Yuan Sim
Abstract: Federated Learning with LoRA fine-tuning offers an efficient and privacy-aware solution for institutions to collaboratively leverage their large datasets to train VLLMs. However, participating institutions often possess heterogeneous computational resources, resulting in imbalanced LoRA ranks, which pose a major challenge for effective collaboration. In addition, real-world applications in domains such as healthcare and transportation frequently suffer from missing modalities due to user mistakes or device failures, which significantly degrade global model performance in federated settings. To the best of our knowledge, no prior work has addressed these two challenges simultaneously in federated VLLMs. To tackle these issues, we propose FediLoRA, a lightweight federated LoRA aggregation framework that effectively mitigates the impact of missing modalities in heterogeneous environment. FediLoRA is explicitly motivated by the observation that simple averaging and structured editing can jointly benefit both global and personalized models. Our approach achieves strong performance across multiple general-domain and medical-domain benchmark datasets. Additional experiments on healthcare data further demonstrate that FediLoRA is well-suited for practical, real-world deployment scenarios. Our code is released at https://github.com/gotobcn8/FediLoRA.
Authors: Yasser H. Khalil, Mehdi Setayesh, Hongliang Li
Abstract: Machine unlearning (MU) aims to remove the influence of specific "forget" data from a trained model while preserving its knowledge of the remaining "retain" data. Existing MU methods based on label manipulation or model weight perturbations often achieve limited unlearning effectiveness. To address this, we introduce CoUn, a novel MU framework inspired by the observation that a model retrained from scratch using only retain data classifies forget data based on their semantic similarity to the retain data. CoUn emulates this behavior by adjusting learned data representations through contrastive learning (CL) and supervised learning, applied exclusively to retain data. Specifically, CoUn (1) leverages semantic similarity between data samples to indirectly adjust forget representations using CL, and (2) maintains retain representations within their respective clusters through supervised learning. Extensive experiments across various datasets and model architectures show that CoUn consistently outperforms state-of-the-art MU baselines in unlearning effectiveness. Additionally, integrating our CL module into existing baselines empowers their unlearning effectiveness.
Authors: Jennifer Dodgson, Michael Joedhitya, Adith Ramdas, Surender Suresh Kumar, Adarsh Singh Chauhan, Akira Rafhael, Wang Mingshu, Nordine Lotfi
Abstract: Research on the distribution of prime numbers has revealed a dual character: deterministic in definition yet exhibiting statistical behavior reminiscent of random processes. In this paper we show that it is possible to use an image-focused machine learning model to measure the comparative regularity of prime number fields at specific regions of an Ulam spiral. Specifically, we demonstrate that in pure accuracy terms, models trained on blocks extracted from regions of the spiral in the vicinity of 500m outperform models trained on blocks extracted from the region representing integers lower than 25m. This implies existence of more easily learnable order in the former region than in the latter. Moreover, a detailed breakdown of precision and recall scores seem to imply that the model is favouring a different approach to classification in different regions of the spiral, focusing more on identifying prime patterns at lower numbers and more on eliminating composites at higher numbers. This aligns with number theory conjectures suggesting that at higher orders of magnitude we should see diminishing noise in prime number distributions, with averages (density, AP equidistribution) coming to dominate, while local randomness regularises after scaling by log x. Taken together, these findings point toward an interesting possibility: that machine learning can serve as a new experimental instrument for number theory. Notably, the method shows potential 1 for investigating the patterns in strong and weak primes for cryptographic purposes.
Authors: Kean Shi, Liang Chen, Haozhe Zhao, Baobao Chang
Abstract: Multimodal Large Language Models (MLLMs) have demonstrated outstanding performance across a variety of domains. However, training MLLMs is often inefficient, as much of the computation is redundant due to the long input sequences from multimodal data and underutilized inter-layer operations. Notably, such redundancy is not static but varies across different stages of training. Building on this observation, we shift the focus to the training process itself and propose a training-efficient framework based on sparse representations, termed the Sparse Training Scheme (STS). Instead of applying a uniform sparsity strategy, STS adopts a stage-aware design that adapts to different sources of redundancy during training. Specifically, the framework consists of two complementary components: the Visual Token Compressor, which reduces the information load by compressing visual tokens during modality alignment, and the Layer Dynamic Skipper, which mitigates computational overhead by dynamically skipping unnecessary layers during instruction tuning. Our approach is broadly applicable to diverse MLLM architectures and has been extensively evaluated on multiple benchmarks, demonstrating its effectiveness and efficiency.
Authors: Guohao Chen, Shuaicheng Niu, Deyu Chen, Jiahao Yang, Zitian Zhang, Mingkui Tan, Pengcheng Wu, Zhiqi Shen
Abstract: Test-time entropy minimization helps adapt a model to novel environments and incentivize its reasoning capability, unleashing the model's potential during inference by allowing it to evolve and improve in real-time using its own predictions, achieving promising performance. However, pure entropy minimization can favor non-generalizable shortcuts, such as inflating the logit norm and driving all predictions to a dominant class to reduce entropy, risking collapsed solutions (e.g., constant one-hot outputs) that trivially minimize the objective without meaningful learning. In this paper, we reveal asymmetry as a key mechanism for collapse prevention and introduce ZeroSiam--an efficient asymmetric Siamese architecture tailored for test-time entropy minimization. ZeroSiam prevents collapse through asymmetric divergence alignment, efficiently achieved by a learnable predictor and a stop-gradient operator before the classifier. We provide empirical and theoretical evidence that ZeroSiam not only prevents collapse, but also regularizes biased learning signals, enhancing performance even when no collapse occurs. Despite its simplicity, extensive results show that ZeroSiam performs more stably over prior methods using negligible overhead, demonstrating efficacy on both vision adaptation and large language model reasoning tasks across challenging test scenarios and diverse models, including particularly collapse-prone tiny models.
Authors: Amir Joudaki, Giulia Lanzillotta, Mohammad Samragh Razlighi, Iman Mirzadeh, Keivan Alizadeh, Thomas Hofmann, Mehrdad Farajtabar, Fartash Faghri
Abstract: Deep learning models excel in stationary data but struggle in non-stationary environments due to a phenomenon known as loss of plasticity (LoP), the degradation of their ability to learn in the future. This work presents a first-principles investigation of LoP in gradient-based learning. Grounded in dynamical systems theory, we formally define LoP by identifying stable manifolds in the parameter space that trap gradient trajectories. Our analysis reveals two primary mechanisms that create these traps: frozen units from activation saturation and cloned-unit manifolds from representational redundancy. Our framework uncovers a fundamental tension: properties that promote generalization in static settings, such as low-rank representations and simplicity biases, directly contribute to LoP in continual learning scenarios. We validate our theoretical analysis with numerical simulations and explore architectural choices or targeted perturbations as potential mitigation strategies.
Authors: Shriram Karpoora Sundara Pandian, Ali Baheri
Abstract: Offline reinforcement learning (RL) enables policy optimization from fixed datasets, making it suitable for safety-critical applications where online exploration is infeasible. However, these datasets are often contaminated by adversarial poisoning, system errors, or low-quality samples, leading to degraded policy performance in standard behavioral cloning (BC) and offline RL methods. This paper introduces Density-Ratio Weighted Behavioral Cloning (Weighted BC), a robust imitation learning approach that uses a small, verified clean reference set to estimate trajectory-level density ratios via a binary discriminator. These ratios are clipped and used as weights in the BC objective to prioritize clean expert behavior while down-weighting or discarding corrupted data, without requiring knowledge of the contamination mechanism. We establish theoretical guarantees showing convergence to the clean expert policy with finite-sample bounds that are independent of the contamination rate. A comprehensive evaluation framework is established, which incorporates various poisoning protocols (reward, state, transition, and action) on continuous control benchmarks. Experiments demonstrate that Weighted BC maintains near-optimal performance even at high contamination ratios outperforming baselines such as traditional BC, batch-constrained Q-learning (BCQ) and behavior regularized actor-critic (BRAC).
Authors: Ahmed Hendawy, Henrik Metternich, Th\'eo Vincent, Mahdi Kallel, Jan Peters, Carlo D'Eramo
Abstract: The use of target networks is a popular approach for estimating value functions in deep Reinforcement Learning (RL). While effective, the target network remains a compromise solution that preserves stability at the cost of slowly moving targets, thus delaying learning. Conversely, using the online network as a bootstrapped target is intuitively appealing, albeit well-known to lead to unstable learning. In this work, we aim to obtain the best out of both worlds by introducing a novel update rule that computes the target using the MINimum estimate between the Target and Online network, giving rise to our method, MINTO. Through this simple, yet effective modification, we show that MINTO enables faster and stable value function learning, by mitigating the potential overestimation bias of using the online network for bootstrapping. Notably, MINTO can be seamlessly integrated into a wide range of value-based and actor-critic algorithms with a negligible cost. We evaluate MINTO extensively across diverse benchmarks, spanning online and offline RL, as well as discrete and continuous action spaces. Across all benchmarks, MINTO consistently improves performance, demonstrating its broad applicability and effectiveness.
Authors: Hang Fan, Yi Xiao, Yongquan Qu, Juan Nathaniel, Fenghua Ling, Ben Fei, Lei Bai, Pierre Gentine
Abstract: Data-driven machine learning (ML) models are reshaping weather forecasting and have shown the potential to accelerate and surpass traditional physics-based approaches, leading to a second revolution in the field after data assimilation. However, most ML forecast models are trained with weighted variable-wise losses on rollout forecasts that neglect cross-variable and spatial error covariance induced by physical coupling, often yielding overly smooth and physically unrealistic long-range forecasts. To address this, we reformulate model training as a four-dimensional variational data assimilation (4DVar) problem that treats reanalysis data as imperfect observations. This enables the loss function to incorporate cross-variable error covariance structures that capture multivariate dependencies and their associated errors. In practice, we approximate this objective by computing the loss in an autoencoder-learned latent space of global atmospheric states. By encoding complex nonlinear couplings among atmospheric variables, this representation allows the high-dimensional, complex error covariance matrix in model space to be approximated as nearly diagonal in latent space, substantially simplifying implementation. We show that rollout training with latent-space constraints improves long-term forecast skill, while better preserving fine-scale structures and physical realism than the widely used model-space loss. Finally, we extend this framework to accommodate heterogeneous data sources, enabling the forecast model to be trained jointly on reanalysis and multi-source observations within a unified theoretical formulation.
Authors: Dung V. Nguyen, Hieu M. Vu, Nhi Y. Pham, Lei Zhang, Tan M. Nguyen
Abstract: Controlling the behaviors of large language models (LLM) is fundamental to their safety alignment and reliable deployment. However, existing steering methods are primarily driven by empirical insights and lack theoretical performance guarantees. In this work, we develop a control-theoretic foundation for activation steering by showing that popular steering methods correspond to the proportional (P) controllers, with the steering vector serving as the feedback signal. Building on this finding, we propose Proportional-Integral-Derivative (PID) Steering, a principled framework that leverages the full PID controller for activation steering in LLMs. The proportional (P) term aligns activations with target semantic directions, the integral (I) term accumulates errors to enforce persistent corrections across layers, and the derivative (D) term mitigates overshoot by counteracting rapid activation changes. This closed-loop design yields interpretable error dynamics and connects activation steering to classical stability guarantees in control theory. Moreover, PID Steering is lightweight, modular, and readily integrates with state-of-the-art steering methods. Extensive experiments across multiple LLM families and benchmarks demonstrate that PID Steering consistently outperforms existing approaches, achieving more robust and reliable behavioral control. The code is publicly available at: https://github.com/dungnvnus/pid-steering
Authors: Ali Saheb Pasand, Elvis Dohmatob
Abstract: Grokking is the phenomenon whereby, unlike the training performance, which peaks early in the training process, the test/generalization performance of a model stagnates over arbitrarily many epochs and then suddenly jumps to usually close to perfect levels. In practice, it is desirable to reduce the length of such plateaus, that is to make the learning process "grok" faster. In this work, we provide new insights into grokking. First, we show both empirically and theoretically that grokking can be induced by asymmetric speeds of (stochastic) gradient descent, along different principal (i.e singular directions) of the gradients. We then propose a simple modification that normalizes the gradients so that dynamics along all the principal directions evolves at exactly the same speed. Then, we establish that this modified method, which we call egalitarian gradient descent (EGD) and can be seen as a carefully modified form of natural gradient descent, groks much faster. In fact, in some cases the stagnation is completely removed. Finally, we empirically show that on classical arithmetic problems such as modular addition and sparse parity problem which this stagnation has been widely observed and intensively studied, that our proposed method eliminates the plateaus.
Authors: Yuxuan Lu, Yifan Wu, Jason Hartline, Lunjia Hu
Abstract: Calibrated predictions are useful because their numerical values can be interpreted as probabilities. Calibration errors are therefore widely used to evaluate, compare, and tune probabilistic predictors. Recently, Haghtalab et al. (2024) introduced an additional requirement for such measures: truthfulness. A calibration measure is truthful if a predictor minimizes its expected measured error by reporting the true conditional label distribution. Many standard empirical calibration errors are non-truthful: a predictor may appear better calibrated by distorting its probabilities rather than reporting them truthfully. We study the practical role of truthfulness for calibration measurement in multiclass prediction. First, we introduce perfectly truthful calibration errors for multidimensional linear properties of the label distribution, generalizing the truthful calibration error for binary predictions in Hartline et al. (2025). This framework includes full multiclass calibration and classwise calibration. We also identify a truthful correction for confidence calibration. Second, we characterize the decision-theoretic implications of these truthful errors. For calibrated predictors, truthful calibration errors preserve the Blackwell dominance: a more informative calibrated predictor receives no larger expected error. Third, we show that this decision-theoretic interpretation explains and mitigates the well-observed ranking robustness problem of binned calibration errors. Empirically, non-truthful confidence-based errors can reverse model rankings when the number of bins changes, while our truthful errors give more stable rankings across binning choices.
Authors: Yue Deng, Francisco Santos, Pang-Ning Tan, Lifeng Luo
Abstract: Deep learning-based weather forecasting (DLWF) models leverage past weather observations to generate future forecasts, supporting a wide range of downstream applications, including tropical cyclone (TC) prediction. In this paper, we investigate their vulnerability to adversarial attacks, where subtle perturbations to the upstream forecasts can alter the downstream TC trajectory predictions. Although research into adversarial attacks on DLWF models has grown recently, it remains challenging to craft perturbed upstream forecasts that steer the downstream outputs toward attacker-specified trajectories. First, conventional TC detection systems are opaque, non-differentiable black boxes, making standard gradient-based attacks infeasible. Second, the extreme rarity of TC events leads to severe class imbalance problem, making it difficult to develop attack methods for perturbing upstream forecasts that produce realistic-looking cyclone paths aligned with attacker's target trajectories. To overcome these limitations, we propose Cyc-Attack, a novel method for perturbing the upstream forecasts of DLWF models to generate adversarial trajectories. The proposed method uses a differentiable surrogate model to approximate the TC detector's output, enabling the application of gradient-based attacks. Cyc-Attack also employs a skewness-aware loss function with kernel dilation strategy to address the imbalance problem. Finally, a distance-based gradient weighting scheme and regularization are used to constrain the perturbations and eliminate unrealistic-looking trajectories, thereby making the adversarial upstream forecasts less easily detectable. Our experiments show that Cyc-Attack achieves a higher true positive rate in matching the attacker's target trajectories, along with lower false alarm rates and stealthier perturbations than conventional attack methods.
Authors: Andrey Veprikov, Arman Bolatov, Aleksandr Bogdanov, Samuel Horv\'ath, Aleksandr Beznosikov, Martin Tak\'a\v{c}, Slavomir Hanzely
Abstract: Optimization lies at the core of modern deep learning, yet existing methods often face a fundamental trade-off between adapting to problem geometry and leveraging curvature utilization. Steepest descent algorithms adapt to different geometries through norm choices but remain strictly first-order, whereas quasi-Newton and adaptive optimizers incorporate curvature information but are restricted to Frobenius geometry, limiting their applicability across diverse architectures. In this work, we propose a unified framework generalizing steepest descent, quasi-Newton methods, and adaptive methods through the novel notion of preconditioned matrix norms. This abstraction reveals that widely used optimizers such as SGD and Adam, as well as more advanced approaches like Muon and KL-Shampoo, and recent hybrids including SOAP and SPlus, all emerge as special cases of the same principle. Within this framework, we provide the first systematic treatment of affine and scale invariance in the matrix-parameterized setting, establishing necessary and sufficient conditions under generalized norms. Building on this foundation, we introduce two new methods, $\texttt{MuAdam}$ and $\texttt{MuAdam-SANIA}$, which combine the spectral geometry of Muon with Adam-style preconditioning. Our experiments demonstrate that these optimizers are competitive with, and in some cases outperform, existing state-of-the-art methods. Our code is available at https://github.com/brain-lab-research/LIB/tree/quasi_descent
URLs: https://github.com/brain-lab-research/LIB/tree/quasi_descent
Authors: Kamaljyoti Nath, Additi Pandey, Bryan T. Susi, Hessam Babaee, George Em Karniadakis
Abstract: Time integration of stiff systems is a primary source of computational cost in combustion, hypersonics, and other reactive transport systems. This stiffness can introduce time scales significantly smaller than those associated with other physical processes, requiring extremely small time steps in explicit schemes or computationally intensive implicit methods. Consequently, strategies to alleviate challenges posed by stiffness are important. While neural operators (DeepONets) can act as surrogates for stiff kinetics, a reliable operator learning strategy is required to appropriately account for differences in error between output variables and samples. Here, we develop AMORE, Adaptive Multi-Output Operator Network, a framework comprising an operator capable of predicting multiple outputs and adaptive loss functions ensuring reliable operator learning. The operator predicts all thermochemical states from given initial conditions. We propose two adaptive loss functions within the framework, considering each state variable's and sample's error to penalize the loss function. We designed the trunk to automatically satisfy Partition of Unity. To enforce unity mass-fraction constraint exactly, we propose an invertible analytical map that transforms the $n$-dimensional species mass-fraction vector into an ($n-1$)-dimensional space. We extend the proposed adaptive loss functions to trunk and branch training in two-step training of DeepONet with multiple outputs. We implemented another unity mass fraction constraint exactly using a softmax function on the predicted mass fraction. We demonstrate efficacy and applicability of our models through two examples: syngas (12 states), GRI-Mech 3.0 (24 active states out of 54). The proposed DeepONet will be a backbone for future CFD studies to accelerate turbulent combustion simulations. AMORE is a general framework, and here, we also demonstrate it for FNO.
Authors: Konstantinos Barmpas, Na Lee, Dimitrios Chalatsis, William Raftery, Yannis Panagakis, Dimitrios A. Adamos, Nikolaos Laskaris, Alexandros Koliousis, Dario Farina, Stefanos Zafeiriou
Abstract: Biosignals such as electroencephalography (EEG), electrocardiography (ECG), and electromyography (EMG) encode physiological activity across multiple temporal and spectral scales, yielding representations that are rich but challenging for machine learning. Foundation models trained to predict masked signal tokens have shown promise in learning generalizable biosignal representations, yet their performance depends on the tokenizer's ability to preserve high-frequency dynamics and reconstruct signals with high fidelity. We introduce NeuroRVQ, a modality-adaptive biosignal tokenizer family designed for high-fidelity signal reconstruction. To capture the full frequency spectrum, NeuroRVQ decomposes biosignals into frequency-specific representations via multi-scale temporal convolutions, each encoded into hierarchical RVQ codebooks to preserve high-frequency detail, combined with a novel phase-aware training loss that respects the circular topology of Fourier phase. By tuning the temporal resolution, number and size of temporal kernels and RVQ depth, this design adapts to the spectro-temporal characteristics of each biosignal modality. To validate that tokenizer quality drives downstream performance, we train a simple masked-token foundation model for each modality (NeuroRVQ-FM) using the corresponding NeuroRVQ tokenizer. The NeuroRVQ-FM family achieves competitive or superior downstream performance compared to existing modality-specific foundation models, demonstrating that high-fidelity tokenization is a critical factor for effective biosignal modeling.
Authors: Yuxuan Lu, Ziyi Wang, Jing Huang, Hui Liu, Jiri Gesi, Yan Han, Shihan Fu, Tianqi Zheng, Xianfeng Tang, Chen Luo, Yisi Sang, Jin Lai, Dakuo Wang
Abstract: Reinforcement learning (RL) for web agents demands environments that are both effective for evaluation and efficient enough for large-scale on-policy training. Current web environments fall short: server-side Docker setups are too resource-intensive for massive parallel rollouts, while browser-side interfaces produce noisy observations, execute actions unreliably under modern single-page applications, and omit visual interactivity cues. We introduce WebServ, a full-stack, RL-ready web environment that addresses these limitations end-to-end. On the server side, WebServ uses Incus containers with block-level copy-on-write, reducing launch latency by ~5x and persistent storage by ~240x, enabling 200+ concurrent isolated environments on a single host. On the browser side, WebServ provides a compact, site-agnostic observation and action interface derived automatically from the DOM with human-aligned interactivity cues, and a robust action execution backend using network-aware waiting for reliable SPA support. On WebArena-Lite, WebServ achieves state-of-the-art single-prompt results, with controlled comparisons confirming consistent gains across GPT-4o, OpenAI-o3, and Llama-3.1-8B over vanilla WebArena. We further train Qwen3-4B and Qwen3-30B-A3B with RL entirely within WebServ; the RL-trained 4B model achieves 55.5% mean accuracy, surpassing both Claude 4.5 Sonnet (50.0%) and the RL-trained 8B model from WebAgent-R1 (51.8%).
Authors: Avrim Blum, Daniel Hsu, Cyrus Rashtchian, Donya Saless
Abstract: Test-time augmentation, such as Retrieval-Augmented Generation (RAG) or tool use, critically depends on an interplay between a model's parametric knowledge and externally retrieved information. However, the theoretical underpinnings of this relationship remain poorly understood. Specifically, it is not clear how much pre-training knowledge is required to answer queries with a small number of augmentation steps, which is a desirable property in practice. To address this question, we formulate multi-step reasoning as an $s$-$t$ connectivity problem on a knowledge graph. We represent a model's pre-training parametric knowledge as a partial, potentially noisy subgraph. We view augmentation as querying an oracle for true edges that augment the model's knowledge. Then, we characterize the necessary and sufficient number of augmentation steps for the model to generate an accurate answer given partial prior knowledge. One key result shows a phase transition: if the prior knowledge graph over $n$ vertices is disconnected into small components, then finding a path via augmentation is inefficient and requires $\Omega(\sqrt{n})$ queries. On the other hand, once the density of correct knowledge surpasses a threshold, forming a giant component, we can find paths with an expected constant number of queries.
Authors: Simon Jaxy, Anton Theys, Patrick Willett, W. Chris Carleton, Ralf Vandam, Pieter Libin
Abstract: Archaeological predictive modelling estimates where undiscovered sites are likely to occur by combining known locations with environmental and geospatial variables, presenting a positive-unlabeled (PU) learning challenge where confirmed sites are rare and most locations are unlabeled rather than truly negative. To overcome this, we propose asymmetric dual pseudolabeling (DPL), an end-to-end deep learning method that learns from sparse positives directly from multi-band geospatial imagery without hand-crafted feature engineering or assumptions about site absence, and evaluate on two prominent archaeological datasets. On the Sagalassos dataset, evaluated against an independent, held-out field survey, DPL outperforms the LAMAP baseline by 12% in F1 and 29% in Recall, while LAMAP maintains advantages in probability ranking. Standard supervised baselines fail catastrophically when negatives are uncertain; positive-only training collapses to predicting everywhere, es- tablishing empirical bounds. On the Cyprus dataset, a pure PU setting without confirmed negatives, SL inverts probability rankings while DPL recovers discrimination. DPL ensembles produce interpretable probability surfaces supporting survey planning, enabling effective site discovery from minimal labeled data.
Authors: Ram\'on Nartallo-Kaluarachchi, Shashanka Ubaru, Ma{\l}gorzata J Zimo\'n, Dongsung Huh, Robert Manson-Sawko, Lior Horesh, Yoshua Bengio
Abstract: Sequential generative models conditioned on uncertain rewards are central to AI-driven scientific discovery, yet the epistemic uncertainty they inherit from imperfect reward estimates remains unquantified. We propagate this uncertainty through generative flow networks (GFlowNets) by fitting polynomial chaos expansions (PCEs) to small ensembles of trained models. The PCE coefficients yield analytical Sobol sensitivity indices, providing the first interpretable decomposition of which reward components drive which generative decisions, a capability unavailable from deep ensembles, Bayesian neural networks, or Monte Carlo dropout. Convergence guarantees are established theoretically and four of five are formally verified in the Lean 4 proof assistant. Across three real-world tasks the framework reveals actionable structure invisible to ensembles alone. On the Doyle-Dreher Buchwald-Hartwig dataset catalyst selection is robust ($D_{\mathrm{catalyst}}\approx 71$) while additive selection is fragile ($D_{\mathrm{additive}}\approx 179$, $2.5\times$ higher). In fragment-based molecular design the linker position is the most sensitive ($D_{\mathrm{linker}}\approx 28$) while decoration positions are the most robust ($D\approx 14$-$18$), reversing the conventional scaffold-robust / decoration-fragile assumption. On the Sachs protein signalling network, MAPK-cascade edges and PKA/PKC hub edges separate into distinct sensitivity regimes, providing a targeted map for perturbation experiments. Calibration coverage at the 95% level reaches 0.97-1.00 across the dominant steps, and the surrogate evaluates 10{,}000 policy samples in milliseconds - $10^{3}$-$10^{4}\times$ faster than exhaustive retraining.
Authors: Aaron Wang, Zihan Zhao, Subash Katel, Vivekanand Gyanchand Sahu, Elham E Khoda, Abhijith Gandrakota, Jennifer Ngadiuba, Richard Cavanaugh, Javier Duarte
Abstract: Transformers are very effective in capturing both global and local correlations within high-energy particle collisions, but they present deployment challenges in high-data-throughput environments, such as the CERN LHC. The quadratic complexity of transformer models demands substantial resources and increases latency during inference. In order to address these issues, we introduce the Spatially Aware Linear Transformer (SAL-T), a physics-inspired enhancement of the linformer architecture that maintains linear attention. Our method incorporates spatially aware partitioning of particles based on kinematic features, thereby computing attention between regions of physical significance. Additionally, we employ convolutional layers to capture local correlations, informed by insights from jet physics. In addition to outperforming the standard linformer in jet classification tasks, SAL-T also achieves classification results comparable to full-attention transformers, while using considerably fewer resources with lower latency during inference. Experiments on a generic point cloud classification dataset (ModelNet10) further confirm this trend. Our code is available at https://github.com/aaronw5/SAL-T4HEP.
Authors: Shahriar Noroozizadeh, Vaishnavh Nagarajan, Elan Rosenfeld, Sanjiv Kumar
Abstract: Deep sequence models are said to store atomic facts predominantly in the form of associative memory: a brute-force lookup of co-occurring entities. We identify a dramatically different form of storage of atomic facts that we term as geometric memory. Here, the model has synthesized embeddings encoding novel global relationships between all entities, including ones that do not co-occur in training. Such storage is powerful: for instance, we show how it transforms a hard reasoning task involving an $\ell$-fold composition into an easy-to-learn $1$-step navigation task. From this phenomenon, we extract fundamental aspects of neural embedding geometries that are hard to explain. We argue that the rise of such a geometry, as against a lookup of local associations, cannot be straightforwardly attributed to typical supervisory, architectural, or optimizational pressures. Counterintuitively, a geometry is learned even when it is more complex than the brute-force lookup. Then, by analyzing a connection to Node2Vec, we demonstrate how the geometry stems from a spectral bias that -- in contrast to prevailing theories -- indeed arises naturally despite the lack of various pressures. This analysis also points out to practitioners a visible headroom to make Transformer memory more strongly geometric. We hope the geometric view of parametric memory encourages revisiting the default intuitions that guide researchers in areas like knowledge acquisition, capacity, discovery, and unlearning.
Authors: Parvin Nazari, Bojian Hou, Davoud Ataee Tarzanagh, Li Shen, George Michailidis
Abstract: Online bilevel optimization (OBO) is a powerful framework for machine learning problems where both outer and inner objectives evolve over time, requiring dynamic updates. Current OBO approaches rely on deterministic \textit{window-smoothed} regret minimization, which may not accurately reflect system performance when functions change rapidly. In this work, we introduce a novel search direction and show that both first- and zeroth-order (ZO) stochastic OBO algorithms leveraging this direction achieve sublinear {stochastic bilevel regret without window smoothing}. Beyond these guarantees, our framework enhances efficiency by: (i) reducing oracle dependence in hypergradient estimation, (ii) updating inner and outer variables alongside the linear system solution, and (iii) employing ZO-based estimation of Hessians, Jacobians, and gradients. Experiments on online parametric loss tuning and black-box adversarial attacks validate our approach.
Authors: Nadia Daoudi, Ivan Alfonso, Jordi Cabot
Abstract: The development of smart systems (i.e., systems enhanced with AI components) has thrived thanks to the rapid advancements in neural networks (NNs). A wide range of libraries and frameworks have consequently emerged to support NN design and implementation. The choice depends on factors such as available functionalities, ease of use, documentation and community support. After adopting a given NN framework, organizations might later choose to switch to another if performance declines, requirements evolve, or new features are introduced. Unfortunately, migrating NN implementations across libraries is challenging due to the lack of migration approaches specifically tailored for NNs. This leads to increased time and effort to modernize NNs, as manual updates are necessary to avoid relying on outdated implementations and ensure compatibility with new features. In this paper, we propose an approach to automatically migrate neural network code across deep learning frameworks. Our method makes use of a pivot NN model to create an abstraction of the NN prior to migration. We validate our approach using two popular NN frameworks, namely PyTorch and TensorFlow. We also discuss the challenges of migrating code between the two frameworks and how they were approached in our method. Experimental evaluation on five NNs shows that our approach successfully migrates their code and produces NNs that are functionally equivalent to the originals. Artefacts from our work are available online.
Authors: Lipeng Zu, Yu Qian, Shayok Chakraborty, Xiaonan Zhang
Abstract: Offline-to-online reinforcement learning (O2O RL) faces a central challenge between retaining offline conservatism and adapting to online feedback under distribution shift. This challenge arises because data behavior evolves during fine-tuning, rendering data origin a misleading basis for constraint handling and thereby leading to objective-data mismatch. We therefore propose Dynamic Alignment for RElaxation (DARE), a distribution-aware framework for sample-level constraint relaxation based on the behavioral consistency with a behavior model. To our knowledge, DARE is the first to condition constraint relaxation on behavioral consistency via a posterior-induced exchange mechanism, moving beyond a binary offline/online data distinction. Importantly, DARE requires only per-sample behavioral alignment, enabling instantiation on top of many offline algorithms with flexible choices of behavior models and fine-tuning objectives. We provide a theoretical analysis showing that behavior-based sample exchange consistently improves the distinction between offline-like and online-like subsets. Experiments on D4RL demonstrate that DARE consistently improves fine-tuning stability and achieves superior final performance over strong offline-to-online baselines. (The code is publicly available at \url{https://github.com/lpzu/DARE}.)
Authors: Sayambhu Sen, Shalabh Bhatnagar
Abstract: Learning complex policies with Reinforcement Learning (RL) is often hindered by instability and slow convergence, a problem exacerbated by the difficulty of reward engineering. Imitation Learning (IL) from expert demonstrations bypasses this reliance on rewards. However, state-of-the-art IL methods, exemplified by Generative Adversarial Imitation Learning (GAIL)Ho et. al, suffer from severe sample inefficiency. This is a direct consequence of their foundational on-policy algorithms, such as TRPO Schulman et.al. In this work, we introduce an adversarial imitation learning algorithm that incorporates off-policy learning to improve sample efficiency. By combining an off-policy framework with auxiliary techniques specifically, in this case a double Q network based stabilization and value learning without reward function inference we demonstrate a reduction in the samples required to robustly match expert behavior.
Authors: Yash Mittal, Dmitry Ignatov, Radu Timofte
Abstract: This paper proposes FractalNet, a framework based on fractal design principles that automatically generates and evaluates convolutional neural network (CNN) architectures using recursive template patterns. Rather than relying on computationally expensive Neural Architecture Search (NAS) methods, the framework explores a structured architecture space defined by recursive fractal templates that systematically vary key parameters such as fractal depth, column width, and layer configurations. The framework consists of three core components: a generator that produces candidate architectures via controlled permutations of convolutional, normalization, activation, and dropout layers; a fractal template module that enforces recursive multi-path structural patterns; and a runner module that manages model training, evaluation, and logging. Using this system, over 1,200 distinct CNN architectures were automatically generated and evaluated on the CIFAR-10 image classification benchmark. Training was performed in PyTorch using stochastic gradient descent with Automatic Mixed Precision (AMP) and gradient checkpointing to reduce computational overhead. Experimental results demonstrate that fractal-based architectures exhibit stable training dynamics and achieve competitive performance, with an average validation accuracy of 60-70% and a peak accuracy of 80.18% after only five training epochs. These findings suggest that recursive fractal structures provide an effective means of balancing network depth and width while supporting large-scale automated architecture exploration. The proposed framework offers a resource-efficient and interpretable approach to systematic neural architecture experimentation.
Authors: Sayambhu Sen, Shalabh Bhatnagar
Abstract: Rapid urbanization in cities like Bangalore has led to severe traffic congestion, making efficient Traffic Signal Control (TSC) essential. Multi-Agent Reinforcement Learning (MARL), often modeling each traffic signal as an independent agent using Q-learning, has emerged as a promising strategy to reduce average commuter delays. While prior work Prashant L A et. al has empirically demonstrated the effectiveness of this approach, a rigorous theoretical analysis of its stability and convergence properties in the context of traffic control has not been explored. This paper bridges that gap by focusing squarely on the theoretical basis of this multi-agent algorithm. We investigate the convergence problem inherent in using independent learners for the cooperative TSC task. Utilizing stochastic approximation methods, we formally analyze the learning dynamics. The primary contribution of this work is the proof that the specific multi-agent reinforcement learning algorithm for traffic control is proven to converge under the given conditions extending it from single agent convergence proofs for asynchronous value iteration.
Authors: Claudio C\'esar Claros Olivares, Austin J. Brockmeier
Abstract: We present a systematic benchmark of out-of-distribution (OOD) detection CSFs through a representation-centric lens. Our study spans CNN and ViT backbones, multiple training paradigms, four image-classification source datasets (CIFAR-10, CIFAR-100, SuperCIFAR-100, and TinyImageNet), and OOD datasets grouped into near, mid, and far regimes using CLIP-derived semantic distances. To compare CSFs across these settings, we employ a multiple-comparison-controlled rank pipeline that identifies top cliques of statistically indistinguishable winners under threshold-free ranking metrics (AURC and AUGRC). The main empirical finding is that the competitive detector family depends more on the learned representation than on score design alone. For both CNNs and ViTs, simple probabilistic scores dominate misclassification detection. On CNNs, margin-based scores are strongest in near-OOD regimes, while geometry-aware scores such as NNGuide, fDBD, and CTM become more competitive as shift severity increases. On fine-tuned ViTs, the top cliques are led mainly by reconstruction- and residual-based scores. To interpret these ranking shifts, we analyze the last-layer representation using Neural Collapse (NC) metrics. The resulting picture is consistent across architectures: prototype- and boundary-aware scores become stronger when the representation is more collapsed and better aligned with classifier weights, whereas weaker-collapse regimes favor gradient- and manifold-based scores. Building on these insights, we propose two contributions: a simple PCA-based projection-filtering procedure that improves detector performance, and an approach that uses NC measurements computed from a trained classifier to predict its competitive out-of-distribution detector shortlist, without requiring any additional OOD data.
Authors: Sumit S Shevtekar, Chandresh K Maurya
Abstract: Real-world time series often exhibit strong non-stationarity, complex nonlinear dynamics, and behavior expressed across multiple temporal scales, from rapid local fluctuations to slow-evolving long-range trends. However, many contemporary architectures impose rigid, fixed-scale structural priors-such as patch-based tokenization, predefined receptive fields, or frozen backbone encoders-which can over-regularize temporal dynamics and limit adaptability to abrupt high-magnitude events. To handle this, we introduce the Multi-scale Temporal Network (MSTN), a hybrid neural architecture grounded in an Early Temporal Aggregation principle. MSTN integrates three complementary components: (i) a multi-scale convolutional encoder that captures fine-grained local structure; (ii) a sequence modeling module that learns long-range dependencies through either recurrent or attention-based mechanisms; and (iii) a self-gated fusion stage incorporating squeeze-excitation and a single dense layer to dynamically reweight and fuse multi-scale representations. This design enables MSTN to flexibly model temporal patterns spanning milliseconds to extended horizons, while avoiding the computational burden typically associated with long-context models. Across extensive benchmarks covering imputation, long-term forecasting, classification, and cross-dataset generalization, MSTN achieves state-of-the-art performance, establishing new best results on 21 of 27 datasets, while remaining lightweight (~0.40M params for MSTN-BiLSTM and ~1.06M for MSTN-Transformer) and suitable for low-latency inference (<1 sec, often in milliseconds), resource-constrained deployment.
Authors: Liangzu Peng, Aditya Chattopadhyay, Luca Zancato, Elvis Nunez, Wei Xia, Stefano Soatto
Abstract: Linear State-Space Models (SSMs) offer an efficient alternative to softmax Attention with constant memory and linear compute, but their lossy, fading summary of the past hurts recall-oriented tasks. We propose Gated KalmaNet (GKA, pronounced "gee-ka"), a layer that accounts for the full past while retaining SSM-style efficiency. We ground our approach in the Kalman Filter (KF), and show that several existing SSM layers (DeltaNet, Gated DeltaNet, Kimi Delta Attention) are approximations to the KF recurrence under an identity error covariance assumption, which ignores how past keys and values should optimally influence state updates. In contrast, GKA maintains the full error covariance and computes the exact Kalman gain. Under a steady-state assumption that enables parallelization, this reduces to an online ridge regression with constant memory and linear compute. The standard KF equations are numerically unstable in low-precision settings (e.g., bfloat16) and hard to parallelize on GPUs. We address this with (1) adaptive regularization via input-dependent gating to control the ridge regression's condition number, and (2) Chebyshev Iteration, which we show is more stable than conventional iterative solvers in low precision. We further develop hardware-aware chunk-wise kernels for efficient training. Empirically, GKA outperforms existing SSM layers (e.g., Mamba2, Gated DeltaNet) on short-context tasks and achieves more than 10\% relative improvement on long-context RAG and LongQA up to 128k tokens. We further show GKA outperforms Mamba when extended to ImageNet classification. Our code, including Triton kernels for training and inference (vLLM), along with a model zoo of GKA-based Hybrid models at 8B and 32B scale on HuggingFace, is released under Apache 2.0.
Authors: Jonathan Gabor, Jayson Lynch, Jonathan Rosenfeld
Abstract: We introduce EvilGenie, a benchmark for reward hacking in programming settings. We source problems from LiveCodeBench and create an environment in which agents can easily reward hack, such as by hardcoding test cases or editing the testing files. We measure reward hacking in three ways: held out unit tests, LLM judges, and test file edit detection. We verify these methods against human review and each other. We find the LLM judge to be highly effective at detecting reward hacking in unambiguous cases, and observe only minimal improvement from the use of held out test cases. In addition to testing many models using Inspect's basic\_agent scaffold, we also measure reward hacking rates for three popular proprietary coding agents: OpenAI's Codex, Anthropic's Claude Code, and Google's Gemini CLI. We observe explicit reward hacking by both Codex and Claude Code, and misaligned behavior by all three agents. Our codebase can be found at https://github.com/JonathanGabor/evilgenie_inspect .
Authors: Nicholas Sung, Steven Spreizer, Mohamed Elrefaie, Matthew C. Jones, Faez Ahmed
Abstract: The conceptual design of Blended Wing Body (BWB) aircraft is often constrained by the high computational cost of resolving complex aerodynamics over a high-dimensional design space. While deep learning offers a pathway to rapid aerodynamic prediction and inverse design, its adoption in aerospace engineering is limited by a lack of large-scale, field-resolved training data. This work addresses this gap by introducing BlendedNet++, a comprehensive aerodynamic dataset comprising 12,492 unique BWB geometries, each evaluated using steady Reynolds-Averaged Navier--Stokes (RANS) simulations to provide integrated forces and dense surface fields (Cp, Cf). Leveraging this data, we establish a robust framework for two critical engineering tasks: (1) real-time prediction of surface aerodynamic fields using geometric deep learning models, and (2) generative inverse design. We benchmark five surrogate architectures, identifying Transolver as the most accurate for field predictions. Furthermore, we demonstrate a generative inverse design pipeline using conditional diffusion models combined with gradient-based refinement. This hybrid approach is shown to generate multiple feasible designs that satisfy specific lift-to-drag targets with high accuracy (R^2 > 0.99), as confirmed by computational fluid dynamics (CFD) simulation. These resources enable a shift from iterative analysis to direct generation in early-stage BWB design.
Authors: Yixuan Wang, Dan P. Guralnik, Warren E. Dixon
Abstract: Inferring the eventual goal of a mobile agent from noisy observations of its trajectory is a fundamental estimation problem. We initiate the study of such intent inference using a variant of a Rao-Blackwellized Particle Filter (RBPF), subject to the assumption that the agent's intent manifests through closed-loop behavior with a state-of-the-art provable practical stability property. Leveraging the assumed closed-form agent dynamics, the RBPF analytically marginalizes the linear-Gaussian substructure and updates particle weights only, improving sample efficiency over a standard particle filter. Two difference estimators are introduced: a Gaussian mixture model using the RBPF weights and a reduced version confining the mixture to the effective sample. We quantify how well the adversary can recover the agent's intent using information-theoretic leakage metrics and provide computable lower bounds on the Kullback-Leibler (KL) divergence between the true intent distribution and RBPF estimates via Gaussian-mixture KL bounds. We also provide a bound on the difference in performance between the two estimators, highlighting the fact that the reduced estimator performs almost as well as the complete one. Experiments illustrate fast and accurate intent recovery for compliant agents, motivating future work on designing intent-obfuscating controllers.
Authors: Ittai Rubinstein, Samuel B. Hopkins
Abstract: Data attribution aims to explain model predictions by estimating how they would change if certain training points were removed, and is used in a wide range of applications, from interpretability and credit assignment to unlearning and privacy. Even in the relatively simple case of logistic regressions, existing mathematical analyses of leading data attribution methods such as Influence Functions (IF) and single Newton Step (NS) remain limited in two key ways. First, they rely on global strong convexity assumptions which are often not satisfied in practice. Second, the resulting bounds scale very poorly with the number of parameters ($d$) and the number of samples removed ($k$). As a result, these analyses are not tight enough to answer fundamental questions such as "what is the asymptotic scaling of the errors of each method?" or "which of these methods is more accurate for a given dataset?" In this paper, we introduce a new analysis of the NS and IF data attribution methods for convex learning problems. To the best of our knowledge, this is the first analysis of these questions that does not assume global strong convexity and also the first explanation of [KATL19] and [RH25a]'s observation that NS data attribution is often more accurate than IF. We prove that for sufficiently well-behaved logistic regressions, our bounds are asymptotically tight up to poly-logarithmic factors, yielding scaling laws for the errors in the average-case sample removals. \[ \mathbb{E}_{T \subseteq [n],\, |T| = k} \bigl[ \|\hat{\theta}_T - \hat{\theta}_T^{\mathrm{NS}}\|_2 \bigr] = \widetilde{\Theta}\!\left(\frac{k d}{n^2}\right), \qquad \mathbb{E}_{T \subseteq [n],\, |T| = k} \bigl[ \|\hat{\theta}_T^{\mathrm{NS}} - \hat{\theta}_T^{\mathrm{IF}}\|_2 \bigr] = \widetilde{\Theta}\!\left( \frac{(k + d)\sqrt{k d}}{n^2} \right). \]
Authors: Sofiya Zaichyk
Abstract: Statistical learning under distributional drift remains poorly characterized, especially in closed-loop settings where learning alters the data-generating law. We introduce an intrinsic drift budget $C_T$ that quantifies cumulative information-geometric motion of the data distribution along the realized learner-environment trajectory, measured in Fisher-Rao distance. The budget separates exogenous environmental change from policy-sensitive feedback induced by the learner's actions. This gives a rate-based characterization of prequential reproducibility: when performance on the realized stream is used to predict one-step-ahead performance under the next distribution, the drift contribution enters through the average motion rate $C_T/T$, not through cumulative drift alone. We prove a drift-feedback bound of order $T^{-1/2}+C_T/T$, up to controlled second-order remainder terms, and establish a matching sharpness lower bound for the same prequential reproducibility gap on a canonical regular subclass. Thus the dependence on the average Fisher-Rao motion rate is tight up to constants: $C_T/T$ is sufficient for upper control and unavoidable on regular hard subclasses. We further prove an information-theoretic indistinguishability result showing that order-$C/T$ effects on the one-step-ahead target need not be identifiable from the realized performance stream alone. Finally, we show that fixed monitoring channels induce contracted observable Fisher motion, and experiments, including a misspecified real-data feedback setting, indicate that appropriately chosen channels can retain risk-relevant drift signal when the intrinsic data-generating law is unavailable. The resulting theory treats exogenous drift, adaptive data analysis, and performative feedback as different sources of Fisher-Rao motion along the same learner-environment trajectory.
Authors: Shengfan Cao, Francesco Borrelli, Eunhyek Joa
Abstract: Safety-critical learning requires policies that improve performance without leaving the safe operating regime. We study constrained policy learning where model parameters must satisfy rollout-based safety constraints that can be evaluated but not differentiated analytically. We propose SCPO, a sampling-based weight-space projection method that enforces safety directly in parameter space without requiring gradient access to the constraint functions. SCPO constructs a local safe region by combining rollout-based safety evaluations with smoothness bounds relating parameter perturbations to changes in safety metrics, and projects each gradient update via a convex SOCP. We establish a safe-by-induction guarantee: starting from any safe initialization, all intermediate policies remain safe given feasible projections. In constrained control settings with a stabilizing backup policy, SCPO further ensures closed-loop stability while enabling safe adaptation beyond the conservative backup. Experiments on constrained regression with harmful supervision and double-integrator imitation with a malicious expert show that SCPO rejects unsafe updates, maintains feasibility throughout training, and achieves meaningful objective improvement.
Authors: Naman Agarwal, Siddhartha R. Dalal, Vishal Misra
Abstract: Transformers often appear to perform Bayesian reasoning in context, but verifying this rigorously has been impossible: natural data lack analytic posteriors, and large models conflate reasoning with memorization. We address this by constructing \emph{Bayesian wind tunnels} -- controlled environments where the true posterior is known in closed form and memorization is provably impossible. In these settings, small transformers reproduce Bayesian posteriors with $10^{-3}$-$10^{-4}$ bit accuracy, while capacity-matched MLPs fail by orders of magnitude, establishing a clear architectural separation. Across two tasks -- bijection elimination and Hidden Markov Model (HMM) state tracking -- we find that transformers implement Bayesian inference through a consistent geometric mechanism: residual streams serve as the belief substrate, feed-forward networks perform the posterior update, and attention provides content-addressable routing. Geometric diagnostics reveal orthogonal key bases, progressive query-key alignment, and a low-dimensional value manifold parameterized by posterior entropy. During training this manifold unfurls while attention patterns remain stable, a \emph{frame-precision dissociation} predicted by recent gradient analyses. Taken together, these results demonstrate that hierarchical attention realizes Bayesian inference by geometric design, explaining both the necessity of attention and the failure of flat architectures. Bayesian wind tunnels provide a foundation for mechanistically connecting small, verifiable systems to reasoning phenomena observed in large language models.
Authors: Boyang Zhang, Xiaobing Chen, Songyang Zhang, Shuai Zhang, Xiangwei Zhou, Jian Zhang, Mingxuan Sun
Abstract: Mixture-of-Experts (MoE) models enable scalable neural networks through conditional computation, offering enhanced effectiveness and efficiency for next-generation wireless communications. However, deploying MoE with federated learning (FL) over wireless and IoT edge networks faces two critical challenges: 1) resource-constrained clients cannot store large AI models with full expert sets, and 2) non-IID data distributions cause severe expert load imbalance that degrades model performance. To this end, we propose FLEX-MoE, a federated MoE framework that jointly optimizes expert assignment and load balancing under limited client capacity. Specifically, our approach introduces client-expert fitness scores that quantify expert suitability for local datasets through training feedback, and employs an optimization-based algorithm to maximize client-expert specialization while enforcing balanced expert utilization system-wide. Unlike greedy methods that focus solely on personalization while ignoring load imbalance, FLEX-MoE addresses expert utilization skew, which is particularly severe in heterogeneous edge FL. Our experimental results demonstrate superior accuracy and consistently balanced expert utilization across diverse resource-constrained scenarios for edge computing.
Authors: Naman Agarwal, Siddhartha R. Dalal, Vishal Misra
Abstract: Recent work has shown that small transformers trained in controlled "wind-tunnel'' settings can implement exact Bayesian inference, and that their training dynamics produce a geometric substrate -- low-dimensional value manifolds and progressively orthogonal keys -- that encodes posterior structure. We investigate whether this geometric signature persists in production-grade language models. Across Pythia, Phi-2, Llama-3, and Mistral families, we find that last-layer value representations organize along a single dominant axis whose position strongly correlates with predictive entropy, and that domain-restricted prompts collapse this structure into the same low-dimensional manifolds observed in synthetic settings. To probe the role of this geometry, we perform targeted interventions on the entropy-aligned axis of Pythia-410M during in-context learning. Removing or perturbing this axis selectively disrupts the local uncertainty geometry, whereas matched random-axis interventions leave it intact. However, these single-layer manipulations do not produce proportionally specific degradation in Bayesian-like behavior, indicating that the geometry is a privileged readout of uncertainty rather than a singular computational bottleneck. Taken together, our results show that modern language models preserve the geometric substrate that enables Bayesian inference in wind tunnels, and organize their approximate Bayesian updates along this substrate.
Authors: Tinglong Dai, David Simchi-Levi, Michelle Xiao Wu, Yao Xie
Abstract: Generative artificial intelligence (GenAI) is shifting from conversational assistants toward agentic systems -- autonomous decision-making systems that sense, decide, and act within operational workflows. This shift creates an autonomy paradox: as GenAI systems are granted greater operational autonomy, they should, by design, embody more formal structure, more explicit constraints, and stronger tail-risk discipline. We argue that stochastic generative models can be fragile in operational domains unless paired with mechanisms that provide verifiable feasibility, robustness to distribution shift, and stress testing under high-consequence scenarios. To address this challenge, we develop a conceptual framework for assured autonomy grounded in operations research (OR), built on two complementary approaches. First, flow-based generative models frame generation as deterministic transport characterized by an ordinary differential equation, enabling auditability, constraint-aware generation, and connections to optimal transport, robust optimization, and sequential decision control. Second, operational safety is formulated through an adversarial robustness lens: decision rules are evaluated against worst-case perturbations within uncertainty or ambiguity sets, making unmodeled risks part of the design. This framework clarifies how increasing autonomy shifts OR's role from solver to guardrail to system architect, with responsibility for control logic, incentive protocols, monitoring regimes, and safety boundaries. These elements define a research agenda for assured autonomy in safety-critical, reliability-sensitive operational domains.
Authors: Yaniv Galron, Hadar Sinai, Haggai Maron, Moshe Eliasof
Abstract: Graph Neural Networks (GNNs) have demonstrated remarkable success in various domains such as social networks, molecular chemistry, and more. A crucial component of GNNs is the pooling procedure, in which the node features calculated by the model are combined to form an informative final descriptor to be used for the downstream task. However, previous graph pooling schemes rely on the last GNN layer features as an input to the pooling or classifier layers, potentially under-utilizing important activations of previous layers produced during the forward pass of the model, which we regard as historical graph activations. This gap is particularly pronounced in cases where a node's representation can shift significantly over the course of many graph neural layers, and worsened by graph-specific challenges such as over-smoothing in deep architectures. To bridge this gap, we introduce HISTOGRAPH, a novel two-stage attention-based final aggregation layer that first applies a unified layer-wise attention over intermediate activations, followed by node-wise attention. By modeling the evolution of node representations across layers, our HISTOGRAPH leverages both the activation history of nodes and the graph structure to refine features used for final prediction. Empirical results on multiple graph classification benchmarks demonstrate that HISTOGRAPH offers strong performance that consistently improves traditional techniques, with particularly strong robustness in deep GNNs.
Authors: Yan Wang, Yitao Xu, Nanhan Shen, Jinyan Su, Jimin Huang, Zining Zhu
Abstract: Mixture of Experts models are widely assumed to achieve domain specialization through sparse routing. In this work, we question this assumption by introducing COMMITTEEAUDIT, a post hoc framework that analyzes routing behavior at the level of expert groups rather than individual experts. Across three representative models and the MMLU benchmark, we uncover a domain-invariant Standing Committee. This is a compact coalition of routed experts that consistently captures the majority of routing mass across domains, layers, and routing budgets, even when architectures already include shared experts. Qualitative analysis further shows that Standing Committees anchor reasoning structure and syntax, while peripheral experts handle domain-specific knowledge. These findings reveal a strong structural bias toward centralized computation, suggesting that specialization in Mixture of Experts models is far less pervasive than commonly believed. This inherent bias also indicates that current training objectives, such as load-balancing losses that enforce uniform expert utilization, may be working against the model's natural optimization path, thereby limiting training efficiency and performance.
Authors: Francesco Ferrini, Veronica Lachi, Antonio Longa, Bruno Lepri, Matono Akiyoshi, Andrea Passerini, Xin Liu, Manfred Jaeger
Abstract: Handling missing node features is a key challenge for deploying Graph Neural Networks (GNNs) in real-world domains such as healthcare and sensor networks. Existing studies mostly address relatively benign scenarios, namely benchmark datasets with (a) high-dimensional but sparse node features and (b) incomplete data generated under Missing Completely At Random (MCAR) mechanisms. For (a), we theoretically prove that high sparsity substantially limits the information loss caused by missingness, making all models appear robust and preventing a meaningful comparison of their performance. To overcome this limitation, we introduce one synthetic and three real-world datasets with dense, semantically meaningful features. For (b), we move beyond MCAR and design evaluation protocols with more realistic missingness mechanisms. Moreover, we provide a theoretical background to state explicit assumptions on the missingness process and analyze their implications for different methods. Building on this analysis, we propose GNNmim, a simple yet effective baseline for node classification with incomplete feature data. Experiments show that GNNmim is competitive with respect to specialized architectures across diverse datasets and missingness regimes.
Authors: Rui An, Haohao Qu, Wenqi Fan, Xuequn Shang, Qing Li
Abstract: Accurate and efficient multivariate time series (MTS) analysis is increasingly critical for a wide range of intelligent applications. Within this realm, Transformers have emerged as the predominant architecture due to their strong ability to capture pairwise dependencies. However, Transformer-based models suffer from quadratic computational complexity and high memory overhead, limiting their scalability and practical deployment in long-term and large-scale MTS modeling. Recently, Mamba has emerged as a promising linear-time alternative with high expressiveness. Nevertheless, directly applying vanilla Mamba to MTS remains suboptimal due to three key limitations: (i) the lack of explicit cross-variate modeling, (ii) difficulty in disentangling the entangled intra-series temporal dynamics and inter-series interactions, and (iii) insufficient modeling of latent time-lag interaction effects. These issues constrain its effectiveness across diverse MTS tasks. To address these challenges, we propose DeMa, a dual-path delay-aware Mamba backbone. DeMa preserves Mamba's linear-complexity advantage while substantially improving its suitability for MTS settings. Specifically, DeMa introduces three key innovations: (i) it decomposes the MTS into intra-series temporal dynamics and inter-series interactions; (ii) it develops a temporal path with a Mamba-SSD module to capture long-range dynamics within each individual series, enabling series-independent, parallel computation; and (iii) it designs a variate path with a Mamba-DALA module that integrates delay-aware linear attention to model cross-variate dependencies. Extensive experiments on five representative tasks, long- and short-term forecasting, data imputation, anomaly detection, and series classification, demonstrate that DeMa achieves state-of-the-art performance while delivering remarkable computational efficiency.
Authors: Kaiyuan Deng, Gen Li, Yang Xiao, Bo Hui, Xiaolong Ma
Abstract: Text-to-image diffusion models have achieved remarkable progress, yet their use raises copyright and misuse concerns, prompting research into machine unlearning. However, extending multi-concept unlearning to large-scale scenarios remains difficult due to three challenges: (i) conflicting weight updates that hinder unlearning or degrade generation; (ii) imprecise mechanisms that cause collateral damage to similar content; and (iii) reliance on additional data or modules, creating scalability bottlenecks. To address these, we propose Scalable-Precise Concept Unlearning (ScaPre), a unified framework tailored for large-scale unlearning. ScaPre introduces a conflict-aware stable design, integrating spectral trace regularization and geometry alignment to stabilize optimization, suppress conflicts, and preserve global structure. Furthermore, an Informax Decoupler identifies concept-relevant parameters and adaptively reweights updates, strictly confining unlearning to the target subspace. ScaPre yields an efficient closed-form solution without requiring auxiliary data or sub-models. Comprehensive experiments on objects, styles, and explicit content demonstrate that ScaPre effectively removes target concepts while maintaining generation quality. It forgets up to $\times \mathbf{5}$ more concepts than the best baseline within acceptable quality limits, achieving state-of-the-art precision and efficiency for large-scale unlearning. Code is available at https://github.com/kaiyuan02415/scapre
Authors: Zhangqi Duan, Nigel Fernandez, Andrew Lan
Abstract: Open-ended tasks, such as coding problems that are common in computer science education, provide detailed insights into student knowledge. However, training large language models (LLMs) to simulate and predict possible student errors in their responses to these problems can be challenging: they often suffer from mode collapse and fail to fully capture the diversity in syntax, style, and solution approach in student responses. In this work, we present KASER (Knowledge-Aligned Student Error Simulator), a novel approach that aligns errors with student knowledge. We propose a training method based on reinforcement learning using a hybrid reward that reflects three aspects of student code prediction: i) code similarity to the ground-truth, ii) error matching, and iii) code prediction diversity. On two real-world datasets, we perform two levels of evaluation and show that: At the per-student-problem pair level, our method outperforms baselines on code and error prediction; at the per-problem level, our method outperforms baselines on error coverage and simulated code diversity.
Authors: Nairui Liu, Fang He, Xindi Tang, Yineng Wang
Abstract: Accurate forecasts of segment-level sailing durations are fundamental to enhancing maritime schedule reliability and optimizing long-term port operations. However, conventional estimated time of arrival (ETA) models are primarily designed for the immediate next port of call and rely heavily on real-time automatic identification system (AIS) data, which is inherently unavailable for future voyage segments. To address this gap, the study reformulates future-port ETA prediction as a segment-level time-series forecasting problem. We develop a transformer-based architecture that integrates historical sailing durations, destination port congestion proxies, and static vessel descriptors. The proposed framework employs a causally masked attention mechanism to capture long-range temporal dependencies and a multi-task learning head to jointly predict segment sailing durations and port congestion states, leveraging shared latent signals to mitigate high uncertainty. Evaluation on a real-world global dataset from 2021 demonstrates the proposed model consistently outperforms a comprehensive suite of competitive baselines. The result shows a relative reduction of 4.70% in mean absolute error (MAE), 4.95% in mean absolute percentage error (MAPE) and 2.59% in root mean squared error (RMSE) compared with sequential deep learning models. The relative reductions compared with gradient boosting machines are 7.03% in MAE, 39.49% in MAPE and 4.37% in RMSE. The case study conducted on one major destination port further illustrates the model's superior accuracy.
Authors: Florent De Geeter, Gaspard Lambrechts, Damien Ernst, Guillaume Drion
Abstract: With the emergence of massively parallel processing units, parallelization has become a desirable property for new sequence models. The ability to parallelize the processing of sequences with respect to the sequence length during training is one of the main factors behind the uprising of the Transformer architecture. However, Transformers lack efficiency at sequence generation, as they need to reprocess all past timesteps at every generation step. Recently, state-space models (SSMs) emerged as a more efficient alternative. These new kinds of recurrent neural networks (RNNs) keep the efficient update of the RNNs while gaining parallelization by getting rid of nonlinear dynamics (or recurrence). SSMs can reach state-of-the art performance through the efficient training of potentially very large networks, but still suffer from limited representation capabilities. In particular, SSMs cannot exhibit persistent memory, or the capacity of retaining information for an infinite duration, because of their monostability. In this paper, we introduce a new family of RNNs, the memory recurrent units (MRUs), that combine the persistent memory capabilities of nonlinear RNNs with the parallelizable computations of SSMs. These units leverage multistability as a source of persistent memory, while getting rid of transient dynamics for efficient computations. We then derive a specific implementation as proof-of-concept: the bistable memory recurrent unit (BMRU). This new RNN is compatible with the parallel scan algorithm. We show that BMRU achieves good results in tasks with long-term dependencies, and can be combined with state-space models to create hybrid networks that are parallelizable and have transient dynamics as well as persistent memory.
Authors: Keval Jain, Anant Raj, Saurav Prakash, Girish Varma
Abstract: We study a semi-asynchronous client-server perceptron trained via iterative parameter mixing (IPM-style averaging): clients run local perceptron updates and a server forms a global model by aggregating the updates that arrive in each communication round. The setting captures three system effects in federated and distributed deployments: (i) stale updates due to delayed model delivery and delayed application of client computations (two-sided version lag), (ii) partial participation (intermittent client availability), and (iii) imperfect communication on both downlink and uplink, modeled as effective zero-mean additive noise with bounded second moment. We introduce a server-side aggregation rule called staleness-bucket aggregation with padding that deterministically enforces a prescribed staleness profile over update ages without assuming any stochastic model for delays or participation. Under margin separability and bounded data radius, we prove a finite-horizon expected bound on the cumulative weighted number of perceptron mistakes over a given number of server rounds: the impact of delay appears only through the mean enforced staleness, whereas communication noise contributes an additional term that grows on the order of the square root of the horizon with the total noise energy. In the noiseless case, we show how a finite expected mistake budget yields an explicit finite-round stabilization bound under a mild fresh-participation condition.
Authors: Adarsh Kumarappan, Pareesa Ameneh Golnari, Wen Wen, Xiaoyu Liu, Gabriel Ryan, Yuting Sun, Shengyu Fu, Elsie Nallipogu
Abstract: DevBench is a telemetry-driven benchmark designed to evaluate Large Language Models (LLMs) on realistic code completion tasks. It includes 1,800 evaluation instances across six programming languages and six task categories derived from real developer telemetry and synthesized using generator models from multiple provider families to mitigate single-source bias. Unlike prior benchmarks, it emphasizes ecological validity, avoids training data contamination, and enables detailed diagnostics. The evaluation combines functional correctness, similarity-based metrics, and LLM-judge assessments focused on usefulness and contextual relevance. 9 state-of-the-art models were assessed, with the strongest achieving only 43.5% Pass@1, confirming the benchmark remains challenging and revealing differences in syntactic precision, semantic reasoning, and practical utility. Our benchmark provides actionable insights to guide model selection and improvement, detail that is often missing from other benchmarks but is essential for both practical deployment and targeted model development.
Authors: John Wu, Yongda Fan, Zhenbang Wu, Paul Landes, Eric Schrock, Sayeed Sajjad Razin, Arjun Chatterjee, Naveen Baskaran, Joshua Steier, Andrea Fitzpatrick, Bilal Arif, Rian Atri, Jathurshan Pradeepkumar, Siddhartha Laghuvarapu, Junyi Gao, Adam R. Cross, Jimeng Sun
Abstract: Difficulty replicating baselines, high computational costs, and required domain expertise create persistent barriers to clinical AI research. To address these challenges, we introduce PyHealth 2.0, an enhanced clinical deep learning toolkit that enables predictive modeling in as few as 7 lines of code. PyHealth 2.0 offers three key contributions: (1) a comprehensive toolkit addressing reproducibility and compatibility challenges by unifying 15+ datasets, 20+ clinical tasks, 25+ models, 5+ interpretability methods, and uncertainty quantification including conformal prediction within a single framework that supports diverse clinical data modalities - signals, imaging, and electronic health records - with translation of 5+ medical coding standards; (2) accessibility-focused design accommodating multimodal data and diverse computational resources with up to 39x faster processing and 20x lower memory usage, enabling work from 16GB laptops to production systems; and (3) an active open-source community of 400+ members lowering domain expertise barriers through extensive documentation, reproducible research contributions, and collaborations with academic health systems and industry partners, including multi-language support via RHealth. PyHealth 2.0 establishes an open-source foundation and community advancing accessible, reproducible healthcare AI. Available at pip install pyhealth.
Authors: Xianya Fang, Feiyang Ren, Xiang Chen, Yu Tian, Zhen Bi, Haiyang Yu, Sheng-Jun Huang
Abstract: Multimodal LLMs are powerful but prone to object hallucinations, which describe non-existent entities and harm reliability. While recent unlearning methods attempt to mitigate this, we identify a critical flaw: structural fragility. We empirically demonstrate that standard erasure achieves only superficial suppression, trapping the model in sharp minima where hallucinations catastrophically resurge after lightweight relearning. To ensure geometric stability, we propose SARE, which casts unlearning as a targeted min-max optimization problem and uses a Targeted-SAM mechanism to explicitly flatten the loss landscape around hallucinated concepts. By suppressing hallucinations under simulated worst-case parameter perturbations, our framework ensures robust removal stable against weight shifts. Extensive experiments demonstrate that SARE significantly outperforms baselines in erasure efficacy while preserving general generation quality. Crucially, it maintains persistent hallucination suppression against relearning and parameter updates, validating the effectiveness of geometric stabilization.
Authors: Bethan Evans, Jared Tanner
Abstract: The minimal norm weight perturbations of DNNs required to achieve a specified change in output are derived and the factors determining its size are discussed. These single-layer exact formulae are contrasted with more generic multi-layer Lipschitz constant based robustness guarantees; both are observed to be of the same order which indicates similar efficacy in their guarantees. These results are applied to precision-modification-activated backdoor attacks, establishing provable compression thresholds below which such attacks cannot succeed, and show empirically that low-rank compression can reliably activate latent backdoors while preserving full-precision accuracy. These expressions reveal how back-propagated margins govern layer-wise sensitivity and provide certifiable guarantees on the smallest parameter updates consistent with a desired output shift.
Authors: Seoungbin Bae, Garyeong Kang, Dabeen Lee
Abstract: We introduce contextual queueing bandits, a new context-aware framework for scheduling while simultaneously learning unknown service rates. Individual jobs carry heterogeneous contextual features, based on which the agent chooses a job and matches it with a server to maximize the departure rate. The service/departure rate is governed by a logistic model of the contextual feature with an unknown server-specific parameter. To evaluate the performance of a policy, we consider queue length regret, defined as the difference in queue length between the policy and the optimal policy. The main challenge in the analysis is that the lists of remaining job features in the queue may differ under our policy versus the optimal policy for a given time step, since they may process jobs in different orders. To address this, we propose the idea of policy-switching queues equipped with a sophisticated coupling argument. This leads to a novel queue length regret decomposition framework, allowing us to understand the short-term effect of choosing a suboptimal job-server pair and its long-term effect on queue state differences. We show that our algorithm, CQB-$\varepsilon$, achieves a regret upper bound of $\widetilde{\mathcal{O}}(T^{-1/4})$. We also consider the setting of adversarially chosen contexts, for which our second algorithm, CQB-Opt, achieves a regret upper bound of $\mathcal{O}(\log^2 T)$. Lastly, we provide experimental results that validate our theoretical findings.
Authors: Tongxi Wang, Zhuoyang Xia, Xinran Chen, Shan Liu
Abstract: Real-world reinforcement learning often faces environment drift, but most existing methods rely on static entropy coefficients/target entropy, causing over-exploration during stable periods and under-exploration after drift, and leaving unanswered the principled question of how exploration intensity should scale with drift magnitude. We show that, under standard assumptions, entropy scheduling in non-stationary maximum-entropy RL can be cast as the dynamic-regret trade-off between tracking a drifting comparator and stabilizing updates, yielding a square-root scaling rule for the entropy weight in terms of a online non-stationarity proxy. Building on this, we propose AES--Adaptive Entropy Scheduling--which adaptively adjusts the entropy coefficient/temperature online using observable drift proxies during training, requiring almost no structural changes and incurring minimal overhead. Across 4 algorithm variants, 12 tasks, and 4 drift modes, AES significantly reduces the fraction of performance degradation caused by drift and accelerates recovery after abrupt changes.
Authors: Augusto Santos, Teresa Santos, Catarina Rodrigues, Jos\'e M. F. Moura
Abstract: Emergent phenomena -- onset of epileptic seizures, sudden customer churn, or pandemic outbreaks -- often arise from hidden causal interactions in complex systems. We propose a machine learning method for their early detection that addresses a core challenge: unveiling and harnessing a system's latent causal structure despite the data-generating process being unknown and partially observed. The method learns an optimal feature representation from a one-parameter family of estimators -- powers of the empirical covariance or precision matrix -- offering a principled way to tune in to the underlying structure driving the emergence of critical events. A supervised learning module then classifies the learned representation. We prove structural consistency of the family and demonstrate the empirical soundness of our approach on seizure detection and churn prediction, attaining competitive results in both. Beyond prediction, and toward explainability, we ascertain that the optimal covariance power exhibits evidence of good identifiability while capturing structural signatures, thus reconciling predictive performance with interpretable statistical structure.
Authors: Yupei Yang, Lin Yang, Wanxi Deng, Lin Qu, Fan Feng, Biwei Huang, Shikui Tu, Lei Xu
Abstract: A reliable reward model is essential for aligning large language models with human preferences through reinforcement learning from human feedback. However, standard reward models are susceptible to spurious features that are not causally related to human labels. This can lead to reward hacking, where high predicted reward does not translate into better behavior. In this work, we address this problem from a causal perspective by proposing a factored representation learning framework that decomposes the model's contextual embedding into (1) causal factors that are sufficient for reward prediction and (2) non-causal factors that capture reward-irrelevant attributes such as length or sycophantic bias. The reward head is then constrained to depend only on the causal component. In addition, we introduce an adversarial head trained to predict reward from the non-causal factors, while applying gradient reversal to discourage them from encoding reward-relevant information. Experiments on both mathematical and dialogue tasks demonstrate that our method learns more robust reward models and consistently improves downstream RLHF performance over state-of-the-art baselines. Analyses on length and sycophantic bias further validate the effectiveness of our method in mitigating reward hacking behaviors.
Authors: Joshua Hang Sai Ip, Georgios Makrygiorgos, Ali Mesbah
Abstract: Bayesian Optimization (BO) is a principled framework for optimizing expensive black-box functions, with Expected Improvement (EI) among its most widely used acquisition functions. Despite its empirical success, EI is agnostic to first-order optimality conditions, relying solely on objective-value improvement. As a result, it can exhibit vanishing acquisition signals where the improvement criterion is uninformative, limiting its effectiveness in guiding search. We propose Expected Improvement via Gradient Norms (EI-GN), a novel acquisition function that extends the improvement principle to incorporate first-order stationarity, promoting sampling in regions that are both high-performing and close to stationary points. We derive a tractable closed-form expression for EI-GN and show that it remains consistent with the improvement-based acquisition framework. By embedding progress toward stationarity into the acquisition criterion, EI-GN provides a richer and more informative notion of improvement. Empirical results on standard BO benchmarks demonstrate consistent gains over baseline methods, and we further illustrate its applicability to control policy learning.
Authors: Khiem Le, Phuc Nguyen, Youssef Mroueh, Chi-Heng Lin, Shangqian Gao, Ting Hua, Nitesh V. Chawla
Abstract: Group Relative Policy Optimization (GRPO) has become the dominant method for reinforcement learning with verifiable rewards in large language models, but it suffers from two critical limitations: gradient vanishing and diversity collapse. When training questions are too easy or too hard, all sampled responses receive identical rewards, yielding zero gradients. Meanwhile, the model tends to collapse its responses toward a single reasoning pattern rather than exploring diverse strategies. We propose Transformation-Augmented GRPO (TA-GRPO), a simple but effective method that addresses both issues via question rephrasing. For each training question, we automatically generate multiple problem-equivalent rephrasings that alter wording, format, and information order while preserving the underlying meaning. Because these rephrasings shift the model's perceived difficulty, pooling responses across the original and its rephrasings yields mixed rewards and more diverse reasoning paths. TA-GRPO jointly computes advantages over this expanded response set and aligns all importance ratios to the original question, enabling the model to learn from a richer set of solution attempts. Experiments on four LLMs (Qwen3-1.7B, Qwen3-4B, Llama-3.2-1B, Llama-3.2-3B) show that TA-GRPO consistently improves pass@$k$ on competition-level benchmarks (AMC, OlympiadBench, AIME24, AIME25) and out-of-distribution benchmarks (Minerva, GPQA-Diamond). Notably, it improves the average pass@32 of Qwen3-1.7B and Qwen3-4B by \textbf{4.97} and \textbf{4.34} points, respectively, and matches the exploration quality of baselines trained on up to 2.5$\times$ more data.
Authors: Mengfan Liu, Da Zheng, Junwei Su, Chuan Wu
Abstract: Full-graph and mini-batch Graph Neural Network (GNN) training approaches have distinct system design demands, making it crucial to choose the appropriate approach to develop. A core challenge in comparing these two GNN training approaches lies in characterizing their model performance (i.e., convergence and generalization) and computational efficiency. While a batch size has been an effective lens in analyzing such behaviors in deep neural networks (DNNs), GNNs extend this lens by introducing a fan-out size, as full-graph training can be viewed as mini-batch training with the largest possible batch size and fan-out size. However, the impact of the batch and fan-out size for GNNs remains insufficiently explored. To this end, this paper systematically compares full-graph vs. mini-batch training of GNNs through empirical and theoretical analyses from the view points of the batch size and fan-out size. Our key contributions include: 1) We provide a novel generalization analysis using the Wasserstein distance to study the impact of the graph structure, especially the fan-out size. 2) We uncover the non-isotropic effects of the batch size and the fan-out size in GNN convergence and generalization, providing practical guidance for tuning these hyperparameters under resource constraints. Finally, full-graph training does not always yield better model performance or computational efficiency than well-tuned smaller mini-batch settings. The implementation can be found in the github link: https://github.com/LIUMENGFAN-gif/GNN_fullgraph_minibatch_training.
URLs: https://github.com/LIUMENGFAN-gif/GNN_fullgraph_minibatch_training.
Authors: Joel Romero-Hernandez, Oscar Camara
Abstract: Pain management in intensive care usually involves complex trade-offs, since both inadequate and excessive treatment can compromise patient safety. Prior work on reinforcement learning for sedation and analgesia has explored how to optimize these interventions, but has not considered patient survival or partial observability. To investigate the risks of these design choices, we developed an offline deep reinforcement learning framework that suggests hourly medication doses based on recurrent state representations. Using retrospective data from 47,144 ICU stays in the MIMIC-IV database, we trained and evaluated behavior-regularized actor-critic models that prescribe continuous doses of opioids, propofol, benzodiazepines, and dexmedetomidine according to two goals: reduce pain or jointly reduce pain and 30-day post-discharge mortality. Although the two resulting policies were associated with lower pain, clinician agreement with the pain-only policy was positively correlated with mortality ($\rho$=0.119, p<0.0001), while agreement with the joint policy was negatively correlated ($\rho$=-0.316, p<0.0001). We found that such divergence arose from a different response to high levels of comorbidity. This suggests that valuing post-discharge outcomes could be critical for learning safer treatment policies, even if a short-term goal remains the primary objective.
Authors: Haoqiang Kang, Yizhe Zhang, Nikki Lijing Kuang, Yi-An Ma, Lianhui Qin
Abstract: Reinforcement learning has become a central paradigm for improving LLM reasoning, but most existing methods optimize policies over discrete token sequences. This creates a mismatch between the optimization space and the structure of reasoning: many important decisions are semantic, global, and trajectory-level rather than local token choices. Continuous latent-space RL offers a promising alternative by allowing policies to explore higher-level reasoning representations. However, simply moving to latent space is not sufficient. The resulting policy must model a complex, multi-modal distribution over valid reasoning trajectories. We therefore propose Latent Diffusion Reasoning with Reinforcement Learning (LaDi-RL), where a diffusion model generates latent reasoning trajectories through iterative denoising. This formulation enables structured exploration and expressive distribution modeling, but also introduces a fundamental credit-assignment challenge: the policy acts in latent space, while rewards are observed only after the latent is decoded into text. A naive rollout strategy therefore entangles latent reasoning quality with text decoding quality, making it unclear whether an incorrect answer results from a poor latent trajectory or from an imperfect textual realization. To address this, we introduce hierarchical latent-text rollouts. We sample multiple text completions for each latent trajectory and aggregate their rewards to obtain a decoder-marginalized estimate of latent utility. This provides a cleaner and lower-variance reward signal for optimizing the diffusion policy. Empirically, LaDi-RL outperforms token-level RL by 9.4% on code generation and 5.7% on math reasoning in pass@1, and even surpasses the base model's pass@k performance.
Authors: Sourajit Das, Dibyajyoti Chakraborty, Romit Maulik
Abstract: Discovering causal structures from multivariate time series is a key problem because interactions span across multiple lags and possibly involve instantaneous dependencies. Additionally, the search space of the dynamic graphs is combinatorial in nature. In this study, we propose Stable Causal Dynamic Differentiable Discovery (SC3D), a two-stage differentiable framework that jointly learns lag-specific adjacency matrices and, if present, an instantaneous directed acyclic graph (DAG). In Stage 1, SC3D performs edge preselection through node-wise prediction to obtain masks for lagged and instantaneous edges, whereas Stage 2 refines these masks by optimizing a likelihood with sparsity along with enforcing acyclicity on the instantaneous block. Numerical results across synthetic SVAR systems, nonlinear and chaotic benchmarks, nonstationary dynamics and real-world datasets demonstrate that SC3D achieves improved stability and more accurate recovery of both lagged and instantaneous causal structures compared to existing baselines.
Authors: Yannick Lunk, Sebastian J. Scott, Leon Bungert
Abstract: We introduce a dynamic sparse training algorithm based on linearized Bregman iterations / mirror descent that exploits the naturally incurred sparsity by alternating between periods of static and dynamic sparsity pattern updates. The key idea is to combine sparsity-inducing Bregman iterations with adaptive freezing of the network structure to enable efficient exploration of the sparse parameter space while maintaining sparsity. We provide convergence guaranties by embedding our method in a multilevel optimization framework. Furthermore, we empirically show that our algorithm can produce highly sparse and accurate models on standard benchmarks. We also show that the theoretical number of FLOPs compared to SGD training can be reduced from 38% for standard Bregman iterations to 6% for our method while maintaining test accuracy.We additionally show a training time reduction by about 50%, when using a sparsity-aware CPU implementation of our method.
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: Artem Riabinin, Andrey Veprikov, Arman Bolatov, Martin Tak\'a\v{c}, Aleksandr Beznosikov
Abstract: We study adaptive learning rate scheduling for norm-constrained optimizers (e.g., Muon and Lion). We introduce a generalized smoothness assumption under which local curvature decreases with the suboptimality gap and empirically verify that this behavior holds along optimization trajectories. Under this assumption, we establish convergence guarantees under an appropriate choice of learning rate, for which warm-up followed by decay arises naturally from the proof rather than being imposed heuristically. Building on this theory, we develop a practical learning rate scheduler that relies only on standard hyperparameters and adapts the warm-up duration automatically at the beginning of training. We evaluate this method on large language model pretraining with LLaMA architectures and show that our adaptive warm-up selection consistently outperforms or at least matches the best manually tuned warm-up schedules across all considered setups, without additional hyperparameter search. Our source code is available at https://github.com/brain-lab-research/llm-baselines/tree/warmup
URLs: https://github.com/brain-lab-research/llm-baselines/tree/warmup
Authors: Peter Holderrieth, Douglas Chen, Luca Eyring, Ishin Shah, Giri Anantharaman, Yutong He, Zeynep Akata, Tommi Jaakkola, Nicholas Matthew Boffi, Max Simchowitz
Abstract: Flow and diffusion models produce high-quality samples, but adapting them to user preferences or constraints post-training remains costly and brittle, a challenge commonly called reward alignment. We argue that efficient reward alignment should be a property of the generative model itself, not an afterthought, and redesign the model for adaptability. We propose "Diamond Maps", stochastic flow map models that enable efficient and accurate alignment to arbitrary rewards at inference time. Diamond Maps amortize many simulation steps into a single-step sampler, like flow maps, while preserving the stochasticity required for optimal reward alignment. This design makes search, Sequential Monte Carlo, and guidance scalable by enabling efficient and consistent estimation of the value function. Our experiments show that Diamond Maps can be learned efficiently via distillation from GLASS Flows, achieve stronger reward alignment performance, and scale better than existing methods. Our results point toward a practical route to generative models that can be rapidly adapted to arbitrary preferences and constraints at inference time.
Authors: Hyochan Chong, Dongkyu Kim, Changdong Kim, Minseop Choi
Abstract: Weight-only quantization has become a standard approach for efficiently serving large language models (LLMs). However, existing methods fail to efficiently compress models to binary (1-bit) levels, as they either require large amounts of data and compute or incur additional storage. In this work, we propose NanoQuant, the first post-training quantization (PTQ) method to compress LLMs to both binary and sub-1-bit levels. NanoQuant formulates quantization as a low-rank binary factorization problem, and compresses full-precision weights to low-rank binary matrices and scales. Specifically, it utilizes an efficient alternating direction method of multipliers (ADMM) solver to precisely initialize latent binary matrices and scales, and then tunes the initialized parameters through a block and model reconstruction process. Consequently, NanoQuant establishes a new Pareto frontier in low-memory post-training quantization, and enables sub-1-bit compression. NanoQuant makes large-scale deployment feasible on consumer hardware. For example, it compresses Llama2-70B by 25.8$\times$ in just 13 hours on a single H100, enabling a 70B model to operate on a consumer 8 GB GPU.
Authors: Jingyi Cheng, Gon\c{c}alo Homem de Almeida Correia, Oded Cats, Shadi Sharif Azadeh
Abstract: Reliable short-term demand forecasting is essential for managing shared micro-mobility services and ensuring responsive, user-centered operations. This study introduces T-STAR (Two-stage Spatial and Temporal Adaptive contextual Representation), a novel transformer-based probabilistic framework designed to forecast station-level bike-sharing demand at a 15-minute resolution. T-STAR addresses key challenges in high-resolution forecasting by disentangling consistent demand patterns from short-term fluctuations through a hierarchical two-stage structure. The first stage captures coarse-grained hourly demand patterns, while the second stage improves prediction accuracy by incorporating high-frequency, localized inputs, including recent fluctuations and real-time demand variations in connected metro services, to account for temporal shifts in short-term demand. Time series transformer models are employed in both stages to generate probabilistic predictions. Extensive experiments using Washington D.C.'s Capital Bikeshare data demonstrate that T-STAR outperforms existing methods in both deterministic and probabilistic accuracy. The model exhibits strong spatial and temporal robustness across stations and time periods. A zero-shot forecasting experiment further highlights T-STAR's ability to transfer to previously unseen service areas without retraining. These results underscore the framework's potential to deliver granular, reliable, and uncertainty-aware short-term demand forecasts, which enable seamless integration to support multimodal trip planning for travelers and enhance real-time operations in shared micro-mobility services.
Authors: Roi Benita, Michael Elad, Joseph Keshet
Abstract: Recovering a signal from its degraded measurements is a long standing challenge in science and engineering. Recently, zero-shot diffusion based methods have been proposed for such inverse problems, offering a posterior sampling based solution that leverages prior knowledge. Such algorithms incorporate the observations through inference, often leaning on manual tuning and heuristics. In this work we propose a rigorous analysis of these approximate posterior samplers, relying on a Gaussianity assumption of the prior. Under this regime, we show that both the ideal posterior sampler and diffusion-based reconstruction algorithms can be expressed in closed-form, enabling their thorough analysis and comparisons in the spectral domain. Building on these representations, we introduce a principled framework for parameter design, replacing heuristic selection strategies used to date. The proposed approach is method-agnostic and yields tailored parameter choices that jointly account for the characteristics of the prior, the degraded signal, and the diffusion dynamics. We show that our spectral recommendations differ structurally from standard heuristics and vary with the diffusion step size, resulting in a consistent balance between perceptual quality and signal fidelity.
Authors: Siddarth Chandrasekar, Marlos C. Machado
Abstract: Across scientific disciplines, Laplacian eigenvectors serve as a fundamental basis for simplifying complex systems, from signal processing to quantum mechanics. In reinforcement learning (RL), they similarly form a basis over the state space, enabling reward functions to be approximated by projection onto a small set of eigenvectors. This projection makes zero-shot control possible, but it also imposes a fundamental limitation: the induced policies are only as expressive as the linear span of the chosen eigenvectors. We introduce the Laplacian Keyboard (LK), a hierarchical framework that goes beyond this linear span. LK constructs a task-agnostic library of behaviors from these eigenvectors, forming a behavior basis guaranteed to contain the optimal policy for any reward within the linear span. A meta-policy learns to stitch these behaviors dynamically, enabling efficient learning of policies outside the original linear constraints. We establish theoretical bounds on zero-shot approximation error and demonstrate empirically that LK improves over the zero-shot solution while achieving better sample efficiency compared to standard RL methods.
Authors: Mohammad Ashhad, Robert Hoehndorf, Ricardo Henao
Abstract: Survival analysis is complicated by censored data, high-dimensional features, and non-linear interactions. Classical models offer interpretability and superior calibration but are restricted to linear or predefined functional forms, while deep learning models are flexible and achieve strong discriminative performance, but tend to produce poorly calibrated survival estimates. To address this trade-off, we propose GRAFT (Gated Residual Accelerated Failure Time), a novel AFT model that decouples prognostic ranking from survival calibration. GRAFT's hybrid architecture combines a linear AFT model with a non-linear residual neural network, and it also integrates stochastic gates for automatic feature selection. The model is trained by optimizing a differentiable, C-index-aligned ranking loss using stochastic conditional imputation from local Kaplan-Meier estimators, while calibrated survival estimates are obtained through simple post-training calibration. In public benchmarks, GRAFT outperforms baselines in discrimination and calibration, while remaining robust and sparse in high-noise settings.
Authors: Zejia You, Chunyuan Deng, Hanjie Chen
Abstract: Inference-time steering offers a promising way to control language models (LMs) without retraining. However, standard approaches typically rely on activation addition, which inevitably alters the hidden-state magnitudes raising concerns about representation collapse and degraded open-ended generation. In this work, we explore Spherical Steering, a training-free primitive that resolves this trade-off through activation rotation. Rather than shifting activations with a fixed vector, our method rotates them along a geodesic toward a target direction, preserving signal integrity while steering toward the target concept. To further enhance adaptivity, we incorporate a confidence gate that dynamically modulates steering strength based on input uncertainty. Extensive experiments across multiple-choice benchmarks demonstrate that Spherical Steering significantly outperforms addition-based baselines (notably by +10% on TruthfulQA, COPA, and Storycloze), while simultaneously maintaining the model's general open-ended generation quality. This work highlights the value of geometric consistency, suggesting that norm-preserving rotation is a robust and effective primitive for precise inference-time control. The code is available at: https://github.com/chili-lab/Spherical-Steering.
Authors: Maximilian Plattner, Fabian Paischer, Johannes Brandstetter, Arturs Berzins
Abstract: Sparse point clouds are a common input modality for 3D surface reconstruction, including in safety-critical settings such as surgical navigation and autonomous perception. Recent point-cloud-conditioned 3D diffusion transformers achieve state-of-the-art results in this regime by leveraging learned priors. We show that these models can fail catastrophically under realistic input variation, and present a mechanistic case study of why. We identify a failure mode we call Meltdown: tiny on-surface perturbations to a sparse input point cloud can fracture the reconstructed output into hundreds of disconnected pieces. Adversarial search recovers Meltdown in 89.9-100% of shapes across the two open-weight state-of-the-art architectures we study (WaLa, Make-a-Shape) on real-world datasets (GSO, SimJEB) and under both DDPM and DDIM sampling. We trace Meltdown along the forward pass: it is governed by how uniformly the points are distributed on the surface, faithfully transduced through the point-cloud encoder, and committed by a single early-denoising cross-attention write in the diffusion backbone. Diffusion-trajectory ensembles exhibit symmetry-breaking near this commit step, consistent with a bifurcation of the reverse process. Through a suite of matched-magnitude controls, we show that the variable on which the model commits is directional, concentrated in a low-rank subspace of the write's perturbation drift. Motivated by this finding, we introduce PowerRemap, a test-time control that reshapes the singular spectrum of the localized write to suppress this drift, with rescue rates of 98.3% on WaLa and 84.6% on Make-a-Shape. Together, these results link a circuit-level cross-attention mechanism to a trajectory-level account of the failure, demonstrating how mechanistic analysis can explain and guide behavior in conditional diffusion transformers.
Authors: Jeonghyun Kim, SooKyung Kim, Richeng Xuan, Hyunsoo Cho
Abstract: The core of knowledge distillation lies in transferring the teacher's rich 'dark knowledge'-subtle probabilistic patterns that reveal how classes are related and the distribution of uncertainties. While this idea is well established, teachers trained with conventional cross-entropy often fail to preserve such signals. Their distributions collapse into sharp, overconfident peaks that appear decisive but are in fact brittle, offering little beyond the hard label or subtly hindering representation-level transfer. This overconfidence is especially problematic in high-cardinality tasks, where the nuances among many plausible classes matter most for guiding a compact student. Moreover, such brittle targets reduce robustness under distribution shift, leaving students vulnerable to miscalibration in real-world conditions. To address this limitation, we revisit distillation from a distributional perspective and propose Calibrated Uncertainty Distillation (CUD), a framework designed to make dark knowledge more faithfully accessible. Instead of uncritically adopting the teacher's overconfidence, CUD encourages teachers to reveal uncertainty where it is informative and guides students to learn from targets that are calibrated rather than sharpened certainty. By directly shaping the teacher's predictive distribution before transfer, our approach balances accuracy and calibration, allowing students to benefit from both confident signals on easy cases and structured uncertainty on hard ones. Across diverse benchmarks, CUD yields students that are not only more accurate, but also more calibrated under shift and more reliable on ambiguous, long-tail inputs.
Authors: Alessandro Manenti, Avinava Dubey, Arijit Sehanobish, Cesare Alippi, Krzysztof Choromanski
Abstract: We propose SWING: Space Walks for Implicit Network Graphs, a new class of algorithms for computations involving Graph Random Features on graphs given by implicit representations (i-graphs), where edge-weights are defined as bi-variate functions of feature vectors in the corresponding nodes. Those classes of graphs include several prominent examples, such as: $\epsilon$-neighborhood graphs, used on regular basis in machine learning. Rather than conducting walks on graphs' nodes, those methods rely on walks in continuous spaces, in which those graphs are embedded. To accurately and efficiently approximate original combinatorial calculations, SWING applies customized Gumbel-softmax sampling mechanism with linearized kernels, obtained via random features coupled with importance sampling techniques. This algorithm is of its own interest. SWING relies on the deep connection between implicitly defined graphs and Fourier analysis, presented in this paper. SWING is accelerator-friendly and does not require input graph materialization. We provide detailed analysis of SWING and complement it with thorough experiments on different classes of i-graphs.
Authors: Gilad Nurko, Roi Benita, Yehoshua Dissen, Tomohiro Nakatani, Marc Delcroix, Shoko Araki, Joseph Keshet
Abstract: Robust classification in noisy environments remains a fundamental challenge in machine learning. Standard approaches typically treat signal enhancement and classification as separate, sequential stages: first enhancing the signal and then applying a classifier. This approach fails to leverage the semantic information in the classifier's output during denoising. In this work, we propose a general, domain-agnostic framework that integrates two interacting diffusion models: one operating on the input signal and the other on the classifier's output logits, without requiring any retraining or fine-tuning of the classifier. This coupled formulation enables mutual guidance, where the enhancing signal refines the class estimation and, conversely, the evolving class logits guide the signal reconstruction towards discriminative regions of the manifold. We introduce three strategies to effectively model the joint distribution of the input and the logit. We evaluated our joint enhancement method for image classification and automatic speech recognition. The proposed framework surpasses traditional sequential enhancement baselines, delivering robust and flexible improvements in classification accuracy under diverse noise conditions.
Authors: Hongjian Jiang, Matthew Hague, Philipp R\"ummer, Anthony Widjaja Lin
Abstract: C-RASP is a simple programming language that was recently shown to capture concepts expressible by transformers. In this paper, we develop new algorithmic techniques for automatically verifying C-RASPs. To this end, we establish a connection to the verification of synchronous dataflow programs in Lustre, which enables us to exploit state-of-the-art model checkers utilizing highly optimized SMT-solvers. Our second contribution addresses learning a C-RASP program in the first place. To this end, we provide a new algorithm for learning a C-RASP from examples using local search. We demonstrate efficacy of our implementation for benchmarks of C-RASPs in the literature, in particular in connection to the following applications: (1) transformer program optimization, and (2) constrained learning of transformer programs (based on a partial specification).
Authors: Saksham Kiroriwal, Julius Pfrommer, J\"urgen Beyerer
Abstract: Bayesian optimization (BO) is a powerful method for optimizing black-box manufacturing processes, but its performance is often limited when dealing with high-dimensional multi-stage systems, where we can observe intermediate outputs. Standard BO models the process as a black box and ignores the intermediate observations and the underlying process structure. Partially Observable Gaussian Process Networks (POGPN) model the process as a Directed Acyclic Graph (DAG). However, using intermediate observations is challenging when the observations are high-dimensional state-space time series. Process-expert knowledge can be used to extract low-dimensional latent features from the high-dimensional state-space data. We propose POGPN-JPSS, a framework that combines POGPN with Joint Parameter and State-Space (JPSS) modeling to use intermediate extracted information. We demonstrate the effectiveness of POGPN-JPSS on a challenging, high-dimensional simulation of a multi-stage bioethanol production process. Our results show that POGPN-JPSS significantly outperforms state-of-the-art methods by achieving the desired performance threshold twice as fast and with greater reliability. The fast optimization directly translates to substantial savings in time and resources. This highlights the importance of combining expert knowledge with structured probabilistic models for rapid process maturation.
Authors: Xiao Zhu, Xinyu Zhou, Boyu Zhu, Hanxu Hu, Mingzhe Du, Haotian Zhang, Huiming Wang, Zhijiang Guo
Abstract: Reinforcement Learning from Verifiable Rewards (RLVR) has driven recent progress in code large language models by leveraging execution-based feedback from unit tests, but its scalability is fundamentally constrained by the availability and reliability of high-quality test cases. We propose CodeScaler, a reward model designed to scale both reinforcement learning training and test-time inference for code generation. CodeScaler is trained on carefully curated preference data derived from verified code problems and incorporates syntax-aware code extraction and validity-preserving reward shaping to ensure stable and robust optimization. Across four coding benchmarks, CodeScaler consistently outperforms execution-based RL by +1.55 points on Qwen3-8B-Base and +4.23 points on Qwen3-14B-Base. By further scaling to 44K problems with additional synthetic data, CodeScaler yields +14.64 points improvement over the base model without requiring any test cases. At inference time, CodeScaler serves as an effective test-time scaling method, achieving performance comparable to unit test approaches while providing a 10-fold reduction in latency. Moreover, CodeScaler surpasses existing reward models on RM-Bench not only in the code domain (+3.3 points), but also in general and reasoning domains (+2.7 points on average).
Authors: Redwanul Karim (Pattern Recognition Lab, Friedrich-Alexander-Universit\"at Erlangen-N\"urnberg, Erlangen, Germany), Changhun Kim (Pattern Recognition Lab, Friedrich-Alexander-Universit\"at Erlangen-N\"urnberg, Erlangen, Germany), Timon Conrad (Institute of Electrical Energy Systems, Friedrich-Alexander-Universit\"at Erlangen-N\"urnberg, Germany), Nora Gourmelon (Pattern Recognition Lab, Friedrich-Alexander-Universit\"at Erlangen-N\"urnberg, Erlangen, Germany), Julian Oelhaf (Pattern Recognition Lab, Friedrich-Alexander-Universit\"at Erlangen-N\"urnberg, Erlangen, Germany), David Riebesel (Institute of Electrical Energy Systems, Friedrich-Alexander-Universit\"at Erlangen-N\"urnberg, Germany), Tom\'as Arias-Vergara (Pattern Recognition Lab, Friedrich-Alexander-Universit\"at Erlangen-N\"urnberg, Erlangen, Germany), Andreas Maier (Pattern Recognition Lab, Friedrich-Alexander-Universit\"at Erlangen-N\"urnberg, Erlangen, Germany), Johann J\"ager (Institute of Electrical Energy Systems, Friedrich-Alexander-Universit\"at Erlangen-N\"urnberg, Germany), Siming Bayer (Pattern Recognition Lab, Friedrich-Alexander-Universit\"at Erlangen-N\"urnberg, Erlangen, Germany)
Abstract: Accurate AC power flow (AC-PF) prediction under domain shift is critical when models trained on medium-voltage (MV) grids are deployed on high-voltage (HV) networks. Existing physics-informed graph neural network (GNN) solvers typically rely on full fine-tuning for cross-regime transfer, incurring high retraining cost and offering limited control over the stability-plasticity trade-off between target-domain adaptation and source-domain retention. We study parameter-efficient domain adaptation for physics-informed self-attention-based GNNs, encouraging Kirchhoff-consistent behavior via a physics-based loss while restricting adaptation to low-rank updates. Specifically, we apply low-rank adaptation (LoRA) to attention projections with selective unfreezing of the prediction head to regulate adaptation capacity. This design yields a controllable efficiency-accuracy trade-off for physics-constrained inverse estimation under voltage-regime shift. Across multiple grid topologies, the proposed LoRA+PHead adaptation recovers near-full fine-tuning accuracy with a target-domain RMSE gap of $2.6 \times 10^{-4}$ while reducing the number of trainable parameters by $85.46\%$. The physics-based residual remains comparable to full fine-tuning; however, relative to Full FT, LoRA+PHead reduces MV source retention by 4.7 percentage points (17.9% vs. 22.6%) under domain shift, while still enabling parameter-efficient and physically consistent AC-PF estimation.
Authors: Guanghui Min, Tianhao Huang, Ke Wan, Chen Chen
Abstract: Targeted data selection has emerged as a crucial paradigm for efficient instruction tuning, aiming to identify a small yet influential subset of training examples for a specific target task. In practice, influence is often measured through the effect of an example on parameter updates. To make selection scalable, many approaches leverage optimizer statistics (e.g., Adam states) as an axis-aligned surrogate for update geometry (i.e., diagonal precondition), implicitly treating parameters as coordinate-wise independent. We show that this assumption breaks down in parameter-efficient fine-tuning (PEFT) methods such as LoRA. In this setting, the induced optimization geometry exhibits strong cross-parameter coupling with non-trivial off-diagonal interactions, while the task-relevant update directions are confined to a low-dimensional subspace. Motivated by this mismatch, we propose GIST (Gradient Isometric Subspace Transformation), a simple yet principled alternative that replaces axis-aligned scaling with robust subspace alignment. GIST recovers a task-specific subspace from validation gradients via singular value decomposition (SVD), projects training gradients into this coupled subspace, and scores examples by their alignment with target directions. Extensive experiments have demonstrated that GIST matches or outperforms the state-of-the-art baseline with only 0.29% of the storage and 25% of the computational time under the same selection budget.
Authors: Justin Deschenaux, Caglar Gulcehre, Subham Sekhar Sahoo
Abstract: Uniform-state discrete diffusion models excel at few-step generation and guidance due to their ability to self-correct, making them preferred over autoregressive or Masked diffusion models in these settings. However, their sampling quality plateaus with ancestral samplers as the number of steps increases. We introduce a family of Predictor-Corrector (PC) samplers for discrete diffusion that generalize prior methods and apply to arbitrary noise processes. When paired with uniform-state diffusion, our samplers outperform ancestral sampling on both language and image modeling, achieving lower generative perplexity at matched unigram entropy on OpenWebText and better FID/IS scores on CIFAR10. Crucially, unlike conventional samplers, our PC methods continue to improve with more sampling steps. Taken together, these findings call into question the assumption that Masked diffusion is the inevitable future of diffusion-based language modeling. Beyond sampling, we develop a memory-efficient curriculum for the Gaussian relaxation training phase, reducing training time by 25% and memory by 33% compared to Duo while maintaining comparable perplexity on OpenWebText and LM1B and strong downstream performance. We release code, checkpoints, and a video-tutorial on: https://s-sahoo.com/duo-ch2
Authors: Youguang Chen, George Biros
Abstract: We consider the problem of sampling from a posterior distribution arising in Bayesian inverse problems in science, engineering, and imaging. Our method belongs to the family of independence Metropolis-Hastings (IMH) sampling algorithms, which are common in Bayesian inference. Relying on the existence of an approximate posterior distribution that is cheaper to sample from but may have significant bias, we introduce Proximal-IMH, a scheme that removes this bias by correcting samples from the approximate posterior through an auxiliary optimization problem. This yields a local adjustment that trades off adherence to the exact model against stability around the approximate reference point. For idealized settings, we prove that the proximal correction tightens the match between approximate and exact posteriors, thereby improving acceptance rates and mixing. The method applies to both linear and nonlinear input-output operators and is particularly suitable for inverse problems where exact posterior sampling is too expensive. We present numerical experiments including multimodal and data-driven priors with nonlinear input-output operators. The results show that Proximal-IMH reliably outperforms existing IMH variants.
Authors: Asiri Wijesinghe, Sevvandi Kandanaarachchi, Daniel M. Steinberg, Cheng Soon Ong
Abstract: We study generative modeling of graphs with recurring subgraph motifs. We propose Flowette, a continuous flow matching framework that employs a graph neural network-based transformer to learn a velocity field over graph representations with node and edge attributes. Our model promotes topology-aware alignment through optimal transport-based coupling and encourages global structural coherence through regularisation. To incorporate domain-driven structural priors, we introduce graphettes, a new probabilistic family of graph structure models that generalize graphons via controlled structural edits for motifs such as rings, stars, and trees. We theoretically analyze the coupling, invariance, and structural properties of the framework, evaluate it on synthetic and molecular benchmarks, and isolate the contributions of the structural prior, the optimal-transport coupling, and the regularisation terms through controlled ablations. Flowette achieves competitive performance overall, attaining state-of-the-art results on several metrics across multiple benchmarks, highlighting the effectiveness of combining structural priors with flow-based training for modeling complex graph distributions.
Authors: Javier Yanes-Pulido, Filipe Rodrigues
Abstract: Accurate forecasting of transportation dynamics is essential for urban mobility and infrastructure planning. Although recent work has achieved strong performance with deep learning models, these methods typically require dataset-specific training, architecture design and hyper-parameter tuning. This paper evaluates whether general-purpose time-series foundation models can serve as forecasters for transportation tasks by benchmarking the zero-shot performance of the state-of-the-art model, Chronos-2, across ten real-world datasets covering highway traffic volume and flow, urban traffic speed, bike-sharing demand, and electric vehicle charging station data. Under a consistent evaluation protocol, we find that, even without any task-specific fine-tuning, Chronos-2 delivers state-of-the-art or competitive accuracy across most datasets, frequently outperforming classical statistical baselines and specialized deep learning architectures, particularly at longer horizons. Beyond point forecasting, we evaluate its native probabilistic outputs using prediction-interval coverage and sharpness, demonstrating that Chronos-2 also provides useful uncertainty quantification without dataset-specific training. In general, this study supports the adoption of time-series foundation models as a key baseline for transportation forecasting research.
Authors: Ashutosh Ranjan, Vivek Srivastava, Shirish Karande, Murari Mandal
Abstract: Deployed text-to-image diffusion models increasingly require post-hoc concept unlearning for copyright claims, artist opt-outs, safety updates, and protected-content mitigation without full retraining. A central challenge is erase-retain imbalance, aggressive updates suppress targets but damage shared capabilities, while conservative or anchor-based updates preserve quality yet leave concepts recoverable through related, compositional, paraphrased, or adversarial prompts. Inspired by retroactive interference, we propose SurgUn, which treats forgetting as controlled competition rather than direct deletion or one-to-one reassignment. SurgUn instantiates retroactive concept interference via distractor-conditioned gradient competition: target-gradient ascent weakens target-conditioned denoising or flow-matching behavior, while descent over a semantically diverse distractor set introduces competing non-target trajectories under the same prompt context. This redistributes outputs across multiple non-target modes instead of collapsing to a single proxy. To limit collateral forgetting through shared pathways, SurgUn adds pixel-grounded weight-space localization, a lightweight diagnostic that selects attention blocks by generated-image erase-retain behavior, exploiting the asymmetry that suppression is broadly achievable whereas retention is block-selective. Across UnlearnCanvas, IP-character erasure, Holistic Unlearning, EraseBench, and Ring-A-Bell on Stable Diffusion v1.5, SDXL, and SANA-1.5, SurgUn achieves a stronger erase-retain balance than baselines. Ablations show that diverse distractors, contrastive competition, and localization are all necessary for robust suppression while preserving related and unrelated concepts.
Authors: Wei Liu, Siya Qi, Yali Du, Yulan He
Abstract: Large language models (LLMs) make it plausible to build systems that improve through self-evolving loops, but many existing proposals are better understood as self-play and often plateau quickly. A central failure mode is that the loop synthesises more data without increasing learnable information for the next iteration. Through experiments on a self-play coding task, we reveal that sustainable self-evolution requires a self-synthesised data pipeline with learnable information that increases across iterations. We identify triadic roles that self-evolving LLMs play: the Proposer, which generates tasks; the Solver, which attempts solutions; and the Verifier, which provides training signals, and we identify three system designs that jointly target learnable information gain from this triadic roles perspective. Asymmetric co-evolution closes a weak-to-strong-to-weak loop across roles. Capacity growth expands parameter and inference-time budgets to match rising learnable information. Proactive information seeking introduces external context and new task sources that prevent saturation. Together, these modules provide a measurable, system-level path from brittle self-play dynamics to sustained self-evolution.
Authors: Kwanyoung Kim
Abstract: Classifier-Free Guidance (CFG) improves sample quality in diffusion models, but its dual-pass inference and reliance on null-condition training limit its use in few-step regimes. Attention-space guidance has emerged as a complementary paradigm that addresses this gap, yet why prior sparse-vs-dense attention guidance works remains elusive. We address this by analyzing attention extrapolation through Modern Hopfield dynamics, proving two directional properties of the sparse-dense discrepancy under shared conditioning that together certify it as a directionally consistent acceleration signal. Building on this, we propose Geometry-Aware Attention Guidance (GAG), a training-free, plug-and-play extrapolation rule that decomposes the discrepancy into parallel and orthogonal components relative to the retrieval direction, amplifying the convergence-aligned component while suppressing off-manifold noise; stability follows from a weak contraction property. We further provide an interpretation of this extrapolation as first-order Anderson Acceleration in attention space, offering a unified perspective on attention extrapolation methods. GAG is a universal method that generalizes across architectures (UNet, MMDiT) and sampling regimes (multi-step, few-step), consistently improving generation quality on diverse backbones, including FLUX.1, the recent FLUX.2, and Qwen-Image, with minimal computational overhead.
Authors: Maria-Florina Balcan, Avrim Blum, Kiriaki Fragkia, Zhiyuan Li, Dravyansh Sharma
Abstract: Large Language Models (LLMs) with chain-of-thought generation have demonstrated great potential for solving complex reasoning and planning tasks. However, the output of current LLMs is not fully reliable and needs careful verification. Even if LLMs get more accurate over time, learned verifiers can help increase trust, enforce safety constraints, and ensure alignment with personal preferences. A major challenge in learning verifiers, however, especially when their output will be used by the generator to improve its reasoning, is that the feedback loop between generator and verifier may produce substantial distribution shift. Motivated by this challenge, we propose an online learning framework for learning chain-of-thought verifiers that, given a problem and a sequence of reasoning steps, check the correctness of the solution. Highlighting the asymmetric role of soundness errors (failure in catching errors in a reasoning trace) and completeness errors (flagging correct reasoning steps as wrong), we introduce novel extensions of the Littlestone dimension which tightly characterize the mistake bounds for learning a verifier in the realizable setting. We provide optimal algorithms for finding the Pareto-frontier (the smallest total number of mistakes given a budget of soundness mistakes) as well as for minimizing a linear combination of asymmetric costs. We further show how our learned verifiers can be used to boost the accuracy of a collection of weak generators, and enable generation of proofs beyond what they were initially trained on. With the mild assumption that one of the generators can generate the next reasoning step correctly with some minimal probability, we show how to learn a strong generator with small error and abstention rates.
Authors: Mingxi Zou, Jiaxiang Chen, Junfan Li, Langzhang Liang, Qifan Wang, Xu Yinghui, Zenglin Xu
Abstract: Preference-based alignment methods (e.g., RLHF, DPO) typically optimize a single scalar objective, implicitly averaging over heterogeneous human preferences. In practice, systematic annotator and user-group disagreement makes mean-reward maximization brittle and susceptible to proxy over-optimization. We propose **Disagreement-Aware Alignment via Risk-Constrained Decoding (DARC)**, a retraining-free inference-time method that frames response selection as distributionally robust, risk-sensitive decision making. Given multiple preference samples or scalable disagreement proxies, DARC reranks candidates by maximizing a *KL-robust (entropic)* satisfaction objective, and provides simple deployment controls that cap or penalize the corresponding entropic risk premium relative to the mean, enabling explicit risk budgets without retraining. We provide theoretical characterization linking this decoding rule to principled pessimism and KL-based distributionally robust optimization. Experiments on alignment benchmarks show that DARC reduces disagreement and tail risk while maintaining competitive average quality under noisy, heterogeneous feedback.
Authors: Chaewon Moon, Dongkuk Si, Chulhee Yun
Abstract: We study the implicit bias of Sharpness-Aware Minimization (SAM) when training $L$-layer linear diagonal networks on linearly separable binary classification. For linear models ($L=1$), both $\ell_\infty$- and $\ell_2$-SAM recover the $\ell_2$ max-margin classifier, matching gradient descent (GD). However, for depth $L = 2$, the behavior changes drastically -- even on a single-example dataset. For $\ell_\infty$-SAM, the limit direction depends critically on initialization and can converge to $\mathbf{0}$ or to any standard basis vector, in stark contrast to GD, whose limit aligns with the basis vector of the dominant data coordinate. For $\ell_2$-SAM, we show that although its limit direction matches the $\ell_1$ max-margin solution as in the case of GD, its finite-time dynamics exhibit a phenomenon we call "sequential feature amplification", in which the predictor initially relies on minor coordinates and gradually shifts to larger ones as training proceeds or initialization increases. Our theoretical analysis attributes this phenomenon to $\ell_2$-SAM's gradient normalization factor applied in its perturbation, which amplifies minor coordinates early and allows major ones to dominate later, giving a concrete example where infinite-time implicit-bias analyses are insufficient. Synthetic and real-data experiments corroborate our findings.
Authors: Fabio Valerio Massoli, Andrey Kuzmin, Arash Behboodi
Abstract: \ac{CoT} prompting improves LLM accuracy on complex tasks but often increases token usage and inference cost. Existing ``Budget Forcing'' methods reduce cost via fine-tuning with heuristic length penalties, suppressing both essential reasoning and redundant filler. We recast efficient reasoning as a lossy compression problem under the \ac{IB} principle, and identify a key theoretical gap when applying naive \ac{IB} to transformers: attention violates the Markov property between prompt, reasoning trace, and response. To resolve this issue, we model \ac{CoT} generation under the \ac{CIB} principle, where the reasoning trace $Z$ acts as a computational bridge that contains only the information about the response $Y$ that is not directly accessible from the prompt $X$. This yields a general Reinforcement Learning objective: maximize task reward while compressing completions under a prior over reasoning traces, subsuming common heuristics (e.g., length penalties) as special cases (e.g., uniform priors). In contrast to naive token-counting approaches, we introduce a semantic prior that measures token cost by surprisal under a language model. Crucially, the prior is queried only for token-level log-probabilities, adding negligible overhead to the training loop. Empirically, our \ac{CIB} objective prunes reasoning redundancy while preserving fluency and logic, improving accuracy at moderate compression and enabling aggressive compression with minimal accuracy drop. These gains generalize across model families and task domains, confirming \ac{CIB} as a domain-agnostic CoT compression framework.
Authors: Zegu Zhang, Jian Zhang
Abstract: Variational autoencoders (VAEs) frequently suffer from posterior collapse, where the latent variables become uninformative as the approximate posterior degenerates to the prior. While recent work has characterized collapse as a phase transition determined by data covariance properties, existing approaches primarily aim to avoid rather than eliminate collapse. We introduce a novel framework that theoretically guarantees non-collapsed solutions by leveraging spherical shell geometry and cluster-aware constraints. Our method transforms data to a spherical shell, computes optimal cluster assignments via K-means, and defines a feasible region between the within-cluster variance $W$ and collapse loss $\delta_{\text{collapse}}$. We prove that when the reconstruction loss is constrained to this region, the collapsed solution is mathematically excluded from the feasible parameter space. \textbf{Critically, we introduce norm constraint mechanisms that ensure decoder outputs remain compatible with the spherical shell geometry without restricting representational capacity.} Unlike prior approaches, our method provides a strict theoretical guarantee with minimal computational overhead without imposing constraints on decoder outputs. Experiments on synthetic and real-world datasets demonstrate 100\% collapse prevention under conditions where conventional VAEs completely fail, with reconstruction quality matching or exceeding state-of-the-art methods. Our approach requires no explicit stability conditions (e.g., $\sigma^2 < \lambda_{\max}$) and works with arbitrary neural architectures. The code is available at https://github.com/tsegoochang/spherical-vae-with-Cluster.
URLs: https://github.com/tsegoochang/spherical-vae-with-Cluster.
Authors: Abdulaziz Alyahya, Abdallah Al Siyabi, Markus R. Ernst, Luke Yang, Levin Kuhlmann, Gideon Kowadlo
Abstract: Continual reinforcement learning challenges agents to acquire new skills while retaining previously learned ones with the goal of improving performance in both past and future tasks. Most existing approaches rely on model-free methods with replay buffers to mitigate catastrophic forgetting; however, these solutions often face significant scalability challenges due to large memory demands. Drawing inspiration from neuroscience, where the brain replays experiences to a predictive World Model rather than directly to the policy, we present ARROW (Augmented Replay for RObust World models), a model-based continual RL algorithm that extends DreamerV3 with a memory-efficient, distribution-matching replay buffer. Unlike standard fixed-size FIFO buffers, ARROW maintains two complementary buffers: a short-term buffer for recent experiences and a long-term buffer that preserves task diversity through intelligent sampling. We evaluate ARROW on two challenging continual RL settings: Tasks without shared structure (Atari), and tasks with shared structure, where knowledge transfer is possible (Procgen CoinRun variants). Compared to model-free and model-based baselines with replay buffers of the same-size, ARROW demonstrates substantially less forgetting on tasks without shared structure, while maintaining comparable forward transfer. Our findings highlight the potential of model-based RL and bio-inspired approaches for continual reinforcement learning, warranting further research.
Authors: Seth Karten, Rahul Dev Appapogu, Chi Jin
Abstract: Translating complex reinforcement learning (RL) environments into high-performance implementations has traditionally required months of specialized engineering. We present a closed-loop methodology that produces equivalent high-performance environments for minimal compute cost. Our method uses a generic prompt template, hierarchical verification (property, interaction, and rollout tests), iterative repair, and cross-backend policy transfer to verify no sim-to-sim gap. We demonstrate three distinct workflows across five environments: (1) Direct translation (no prior performance implementation exists) from Game Boy emulator PyBoy to our EmuRust (via Rust IPC) and from Pokemon Showdown to our PokeJAX (via JAX); (2) Translation verified against existing performance implementations via throughput parity with Puffer Pong, MJX and Brax at matched GPU batch sizes; and (3) New environment creation: TCGJax, the first Pokemon TCG Pocket environment, created from a web-extracted specification. At 200M parameters, the environment overhead drops below 4% of training time. Our closed-loop methodology confirms equivalence for all five environments. TCGJax, synthesized from a private reference absent from public repositories, serves as a contamination control for agent pretraining data concerns.
Authors: Zhangyong Liang
Abstract: Generalizing neural surrogate models across different PDE parameters remains difficult because changes in PDE coefficients often make learning harder and optimization less stable. The problem becomes even more severe when the model must also predict beyond the training time range. Existing methods usually cannot handle parameter generalization and temporal extrapolation at the same time. Standard parameterized models treat time as just another input and therefore fail to capture intrinsic dynamics, while recent continuous-time latent methods often rely on expensive test-time auto-decoding for each instance, which is inefficient and can disrupt continuity across the parameterized solution space. To address this, we propose Disentangled Latent Dynamics Manifold Fusion (DLDMF), a physics-informed framework that explicitly separates space, time, and parameters. Instead of unstable auto-decoding, DLDMF maps PDE parameters directly to a continuous latent embedding through a feed-forward network. This embedding initializes and conditions a latent state whose evolution is governed by a parameter-conditioned Neural ODE. We further introduce a dynamic manifold fusion mechanism that uses a shared decoder to combine spatial coordinates, parameter embeddings, and time-evolving latent states to reconstruct the corresponding spatiotemporal solution. By modeling prediction as latent dynamic evolution rather than static coordinate fitting, DLDMF reduces interference between parameter variation and temporal evolution while preserving a smooth and coherent solution manifold. As a result, it performs well on unseen parameter settings and in long-term temporal extrapolation. Experiments on several benchmark problems show that DLDMF consistently outperforms state-of-the-art baselines in accuracy, parameter generalization, and extrapolation robustness.
Authors: Sungwoo Kang
Abstract: Honey bee colony losses threaten global pollination services, yet current monitoring systems treat each hive as an isolated unit, ignoring the spatial pathways through which diseases spread across apiaries. This paper introduces the Spatio-Temporal Apiary Graph Convolutional Network (STAG-CN), a graph neural network that models inter-hive relationships for disease onset prediction. STAG-CN operates on a dual adjacency graph combining physical co-location and climatic sensor correlation among hive sessions, and processes multivariate IoT sensor streams through a temporal--spatial--temporal sandwich architecture built on causal dilated convolutions and Chebyshev spectral graph convolutions. Evaluated on the Korean AI Hub apiculture dataset (dataset \#71488) with expanding-window temporal cross-validation, STAG-CN achieves an F1 score of 0.607 at a three-day forecast horizon. An ablation study reveals that the climatic adjacency matrix alone matches full-model performance (F1\,=\,0.607), while the physical adjacency alone yields F1\,=\,0.274, indicating that shared environmental response patterns carry stronger predictive signal than spatial proximity for disease onset. These results establish a proof-of-concept for graph-based biosecurity monitoring in precision apiculture, demonstrating that inter-hive sensor correlations encode disease-relevant information invisible to single-hive approaches.
Authors: Felix Schur
Abstract: Can latent actions and environment dynamics be recovered from offline trajectories when actions are never observed? We study this question in a setting where trajectories are action-free but tagged with demonstrator identity. We assume that each demonstrator follows a distinct policy, while the environment dynamics are shared across demonstrators and identity affects the next observation only through the chosen action. Under these assumptions, the conditional next-observation distribution $p(o_{t+1}\mid o_t,e)$ is a mixture of latent action-conditioned transition kernels with demonstrator-specific mixing weights. We show that this induces, for each state, a column-stochastic nonnegative matrix factorization of the observable conditional distribution. Using sufficiently scattered policy diversity and rank conditions, we prove that the latent transitions and demonstrator policies are identifiable up to permutation of the latent action labels. We extend the result to continuous observation spaces via a Gram-determinant minimum-volume criterion, and show that continuity of the transition map over a connected state space upgrades local permutation ambiguities to a single global permutation. A small amount of labeled action data then suffices to fix this final ambiguity. These results establish demonstrator diversity as a principled source of identifiability for learning latent actions and dynamics from offline RL data.
Authors: Koichi Tanaka, Ren Kishimoto, Bushun Kawagishi, Yusuke Narita, Yasuo Yamamoto, Nobuyuki Shimizu, Yuta Saito
Abstract: We study off-policy learning (OPL) in contextual bandits, which plays a key role in a wide range of real-world applications such as recommendation systems and online advertising. Typical OPL in contextual bandits assumes an unconstrained environment where a policy can select the same item infinitely. However, in many practical applications, including coupon allocation and e-commerce, limited supply constrains items through budget limits on distributed coupons or inventory restrictions on products. In these settings, greedily selecting the item with the highest expected reward for the current user may lead to early depletion of that item, making it unavailable for future users who could potentially generate higher expected rewards. As a result, OPL methods that are optimal in unconstrained settings may become suboptimal in limited supply settings. To address the issue, we provide a theoretical analysis showing that conventional greedy OPL approaches may fail to maximize the policy performance, and demonstrate that policies with superior performance must exist in limited supply settings. Based on this insight, we introduce a novel method called Off-Policy learning with Limited Supply (OPLS). Rather than simply selecting the item with the highest expected reward, OPLS focuses on items with relatively higher expected rewards compared to the other users, enabling more efficient allocation of items with limited supply. Our empirical results on both synthetic and real-world datasets show that OPLS outperforms existing OPL methods in contextual bandit problems with limited supply.
Authors: S Akash, Pratik Gajane, Jawar Singh
Abstract: Multi-dueling bandits, where a learner selects $m \geq 2$ arms per round and observes only the winner, arise naturally in many applications including ranking and recommendation systems, yet a fundamental question has remained open: can a single algorithm perform optimally in both stochastic and adversarial environments, without knowing which regime it faces? We answer this affirmatively, providing the first best-of-both-worlds algorithms for multi-dueling bandits under both Condorcet and Borda objectives. For the Condorcet setting, we propose $\texttt{MetaDueling}$, a black-box reduction that converts any dueling bandit algorithm into a multi-dueling bandit algorithm by transforming multi-way winner feedback into an unbiased pairwise signal. Instantiating our reduction with $\texttt{Versatile-DB}$ yields the first best-of-both-worlds algorithm for multi-dueling bandits: it achieves $O(\sqrt{KT})$ pseudo-regret against adversarial preferences and the instance-optimal $O\left(\sum_{i \neq a^\star} \frac{\log T}{\Delta_i}\right)$ pseudo-regret under stochastic preferences, both simultaneously and without prior knowledge of the regime. For the Borda setting, we propose $\texttt{SA-MiDEX}$, a stochastic-and-adversarial algorithm that achieves $O\left(K^2 \log KT + K \log^2 T + \sum_{i: \Delta_i^{\mathrm{B}} > 0} \frac{K\log KT}{(\Delta_i^{\mathrm{B}})^2}\right)$ regret in stochastic environments and $O\left(K \sqrt{T \log KT} + K^{1/3} T^{2/3} (\log K)^{1/3}\right)$ regret against adversaries, again without prior knowledge of the regime. We complement our upper bounds with matching lower bounds for the Condorcet setting. For the Borda setting, our upper bounds are near-optimal with respect to the lower bounds (within a factor of $K$) and match the best-known results in the literature.
Authors: Chenlu Ye, Xuanchang Zhang, Yifan Hao, Zhou Yu, Ziji Zhang, Abhinav Gullapalli, Hao Chen, Jing Huang, Tong Zhang
Abstract: Off-policy problems such as policy staleness and training--inference mismatch have become a major bottleneck for training stability and further exploration in LLM RL. The distribution gap between the inference and updated policies grows because of the techniques to enhance inference efficiency, leading to heavy-tailed importance ratios. Heavy-tailed ratios arise when the policy is locally sharp, which further inflates gradients and can push updates outside the trust region. To address this, we propose Adaptive Layerwise Perturbation (ALP), which injects small learnable perturbations into the input hidden states of each layer during updates and uses the resulting perturbed policy as the numerator of the importance ratio against the unchanged inference policy in the objective. Intuitively, by adding controlled noise to intermediate representations, ALP prevents the updated policy from deviating too sharply from the inference policy and enlarges the policy family to cover inference-time mismatch noise. Hence, the flattened distribution can naturally tighten the gap between the updated and inference policies and reduce the tail of importance ratios, thus maintaining training stability. This is further validated empirically. Experiments on single-turn math and multi-turn tool-integrated reasoning tasks show that ALP not only improves final performance, but also avoids blow-up in the importance-ratio tail and KL spikes during iterative training, along with boosted exploration. Ablations show that representation-level perturbations across all layers are most effective, substantially outperforming partial-layer and logits-only variants.
Authors: Fateme Maleki, Krishnan Raghavan, Farzad Yousefian
Abstract: Federated learning (FL) is a communication-efficient collaborative learning framework that enables model training across multiple agents with private local datasets. While the benefits of FL in improving global model performance are well established, individual agents may behave strategically, balancing the learning payoff against the cost of contributing their local data. Motivated by the need for FL frameworks that successfully retain participating agents, we propose an incentive-aware federated averaging method in which, at each communication round, clients transmit both their local model parameters and their updated training dataset sizes to the server. The dataset sizes are dynamically adjusted via a Nash equilibrium (NE)-seeking update rule that captures strategic data participation. We analyze the proposed method under convex and nonconvex global objective settings and establish performance guarantees for the resulting incentive-aware FL algorithm. Furthermore, under a merely monotone game setting, we consider a welfare loss minimization framework and establish asymptotic convergence of the scheme. Numerical experiments on the MNIST and CIFAR-10 datasets demonstrate that agents achieve competitive global model performance while converging to stable data participation strategies.
Authors: Jiehao Wu, Zixiao Huang, Wenhao Li, Chuyun Shen, Junjie Sheng, Xiangfeng Wang
Abstract: Optimizing AscendC (Ascend C) operators for Ascend NPUs is difficult for two reasons. First, unlike CUDA, the ecosystem offers few public kernels to learn from. Second, performance depends on a coupled two-part implementation: a host-side tiling program that controls data movement and a kernel program that schedules and pipelines computation. We present AscendOptimizer, an episodic agent that builds missing optimization knowledge from execution itself. For kernel optimization, AscendOptimizer rewinds strong implementations by removing optimizations in a controlled way, then keeps the changes whose removal measurably hurts performance as reusable experience for later rewriting. For host-side optimization, it runs profiling-in-the-loop evolutionary search to find valid, fast tiling and data-movement configurations directly from hardware feedback. This combination lets the agent improve kernel structure and host-side scheduling together. On a benchmark of 101 real AscendC operators, AscendOptimizer achieves a 1.21x geometric-mean speedup over the open-source baseline, and 53.47% of operators run faster than their references. Given a same budget of evaluations per operator, AscendOptimizer consistently outperforms Best-of-N sampling and OpenEvolve in terms of geometric mean speedup, fast_p tail speedup ratios, and overall optimization progress across varying budgets.
Authors: Manuel Milling, Andreas Triantafyllopoulos, Alexander Gebhard, Simon Rampp, Bj\"orn W. Schuller
Abstract: Transfer learning is a crucial concept within deep learning that allows artificial neural networks to benefit from a large pre-training data basis when confronted with a task of limited data. Despite its ubiquitous use and clear benefits, there are still many open questions regarding the inner workings of transfer learning and, in particular, regarding the understanding of when and how well it works. To that extent, we perform a rigorous study focusing on audio-to-audio transfer learning, in which we pre-train various model states on (ontology-based) subsets of AudioSet and fine-tune them on three computer audition tasks, namely acoustic scene recognition, bird activity recognition, and speech command recognition. We report that increasing the number of samples and classes in the pre-training data both have a positive impact on transfer learning. This is, however, generally surpassed by similarity between pre-training and the downstream task, which can lead the model to learn comparable features.
Authors: Mingyang Song, Mao Zheng
Abstract: As Large Language Models (LLMs) continue to grow in both capability and cost, transferring frontier capabilities into smaller, deployable students has become a central engineering problem, and knowledge distillation remains the dominant technique for this transfer. The prevailing recipe in industrial pipelines, static imitation of teacher-generated text, carries a structural weakness that grows more severe as tasks become longer and more reasoning-intensive. Because the student is trained on flawless teacher prefixes but must generate its own at inference, small errors tend to accumulate into trajectories it has rarely been trained to recover from, and the resulting exposure bias has been shown to scale roughly with the square of sequence length. On-Policy Distillation (OPD) reorganizes the training loop around this observation by having the teacher provide feedback on what the student actually produces, with the goal of reducing the compounding term toward linear and reframing distillation as an iterative correction process rather than single-pass imitation. The resulting literature has expanded along divergence design, reward-guided optimization, and self-play, yet contributions remain scattered across the knowledge distillation, RLHF, and imitation learning communities without a unified treatment. This survey provides such a treatment. We formalize OPD as $f$-divergence minimization over student-sampled trajectories, organize the field along three design axes (what to optimize, where the signal comes from, and how to stabilize training in practice), and consolidate success conditions, recurring failure modes, and the connection between OPD and KL-constrained RL. We close with open problems that emerge from this synthesis, including distillation scaling laws, uncertainty-aware feedback, agentic distillation, and the growing overlap between knowledge distillation and RL.
Authors: Roel Hacking, Lisa Kusch, Koondanibha Mitra, Martijn Anthonissen, Wilbert IJzerman
Abstract: We address the inverse problem of designing two-dimensional reflectors that transform light from a finite, extended source into a prescribed far-field distribution. The reflector height is represented by a neural network and optimized with two objective functions: a direct change-of-variables loss based on the closed-form inverse ray map, and a mesh-based loss that maps target cells back to the source and remains usable for discontinuous sources. Gradients are computed by automatic differentiation and minimized with a robust quasi-Newton method. As a baseline, we adapt a deconvolution pipeline built on a simplified finite-source approximation: a one-dimensional monotone map is recovered from flux balance, converted to a reflector by an integrating-factor ODE solve, and embedded in a modified Van Cittert iteration with nonnegativity clipping and ray-traced feedback. Across four benchmarks, covering continuous and discontinuous sources and minimum-height constraints, accuracy is measured by ray-traced normalized mean absolute error. On the two main benchmarks, the neural method reaches errors of about 2e-5 and 5e-5 within a few seconds on one NVIDIA RTX 4090 GPU, compared with 4e-3 and 5e-2 for the deconvolution baseline after several hundred seconds. The results show that the neural formulation is both more accurate and substantially faster, while still supporting practical height constraints. We also discuss extensions to rotationally symmetric and full three-dimensional reflector design through iterative correction schemes.
Authors: Arka Jain, Umesh Sharma
Abstract: Public pooled single-cell perturbation atlases are valuable resources for studying transcription factor (TF) function, but downstream re-analysis can be limited by incomplete deposited metadata and missing internal controls. Here we re-analyze the human TF Atlas dataset (GSE216481), a MORF-based pooled overexpression screen spanning 3,550 TF open reading frames and 254,519 cells, with a reproducible pipeline for quality control, MORF barcode demultiplexing, per-TF differential expression, and functional enrichment. From 77,018 cells in the pooled screen, we assign 60,997 (79.2\%) to 87 TF identities. Because the deposited barcode mapping lacks the GFP and mCherry negative controls present in the original library, we use embryoid body (EB) cells as an external baseline and remove shared batch/transduction artifacts by background subtraction. This strategy recovers TF-specific signatures for 59 of 61 testable TFs, compared with 27 detected by one-vs-rest alone, showing that robust TF-level signal can be rescued despite missing intra-pool controls. HOPX, MAZ, PAX6, FOS, and FEZF2 emerge as the strongest transcriptional remodelers, while per-TF enrichment links FEZF2 to regulation of differentiation, EGR1 to Hippo and cardiac programs, FOS to focal adhesion, and NFIC to collagen biosynthesis. Condition-level analyses reveal convergent Wnt, neurogenic, EMT, and Hippo signatures, and Harmony indicates minimal confounding batch effects across pooled replicates. Our per-TF effect sizes significantly agree with Joung et al.'s published rankings (Spearman $\rho = -0.316$, $p = 0.013$; negative because lower rank indicates stronger effect). Together, these results show that the deposited TF Atlas data can support validated TF-specific transcriptional and pathway analyses when paired with principled external controls, artifact removal, and reproducible computation.
Authors: Haonian Ji, Kaiwen Xiong, Siwei Han, Peng Xia, Shi Qiu, Yiyang Zhou, Jiaqi Liu, Jinlong Li, Bingzhou Li, Zeyu Zheng, Cihang Xie, Huaxiu Yao
Abstract: AI agents deployed as persistent assistants must maintain correct beliefs as their information environment evolves. In practice, evidence is scattered across heterogeneous sources that often contradict one another, new information can invalidate earlier conclusions, and user preferences surface through corrections rather than explicit instructions. Existing benchmarks largely assume static, single-authority settings and do not evaluate whether agents can keep up with this complexity. We introduce ClawArena, a benchmark for evaluating AI agents in evolving information environments. Each scenario maintains a complete hidden ground truth while exposing the agent only to noisy, partial, and sometimes contradictory traces across multi-channel sessions, workspace files, and staged updates. Evaluation is organized around three coupled challenges: multi-source conflict reasoning, dynamic belief revision, and implicit personalization, whose interactions yield a 14-category question taxonomy. Two question formats, multi-choice (set-selection) and shell-based executable checks, test both reasoning and workspace grounding. ClawArena comprises 12 multi-turn scenarios spanning 337 evaluation rounds with 45 dynamic updates, evaluated across five agent frameworks and 18 language models from proprietary, community-accessible, and self-hosted sources. Experiments show that model capability accounts for a 29-point score range across models while framework design accounts for up to a 24-point range, that MetaClaw's skill overlay reliably improves score without degrading accuracy, and that belief revision difficulty is determined by update design strategy rather than update volume. Code is available at https://github.com/aiming-lab/ClawArena.
Authors: Akzhol Almukhametov, Doyeong Lim, Rui Hu, Yang Liu
Abstract: Real-time supervisory control of advanced reactors requires accurate forecasting of plant-wide thermal-hydraulic states, including locations where physical sensors are unavailable. Meeting this need calls for surrogate models that combine predictive fidelity, millisecond-scale inference, and robustness to partial observability. In this work, we present a physics-informed message-passing Graph Neural Network coupled with a Neural Ordinary Differential Equation (GNN-ODE) to addresses all three requirements simultaneously. We represent the whole system as a directed sensor graph whose edges encode hydraulic connectivity through flow/heat transfer-aware message passing, and we advance the latent dynamics in continuous time via a controlled Neural ODE. A topology-guided missing-node initializer reconstructs uninstrumented states at rollout start; prediction then proceeds fully autoregressively. The GNN-ODE surrogate achieves satisfactory results for the system dynamics prediction. On held-out simulation transients, the surrogate achieves an average MAE of 0.91 K at 60 s and 2.18 K at 300 s for uninstrumented nodes, with $R^2$ up to 0.995 for missing-node state reconstruction. Inference runs at approximately 105 times faster than simulated time on a single GPU, enabling 64-member ensemble rollouts for uncertainty quantification. To assess sim-to-real transfer, we adapt the pretrained surrogate to experimental facility data using layerwise discriminative fine-tuning with only 30 training sequences. The learned flow-dependent heat-transfer scaling recovers a Reynolds-number exponent consistent with established correlations, indicating constitutive learning beyond trajectory fitting. The model tracks a steep power change transient and produces accurate trajectories at uninstrumented locations.
Authors: Yeran Zhang, Pengwei Yang, Guoqing Wang, Tianyu Li
Abstract: Accurate forecasting of industrial time series requires balancing predictive accuracy with physical plausibility under non-stationary operating conditions. Existing data-driven models often achieve strong statistical performance but struggle to respect regime-dependent interaction structures and transport delays inherent in real-world systems. To address this challenge, we propose DSPR (Dual-Stream Physics-Residual Networks), a forecasting framework that explicitly decouples stable temporal patterns from regime-dependent residual dynamics. The first stream models the statistical temporal evolution of individual variables. The second stream focuses on residual dynamics through two key mechanisms: an Adaptive Window module that estimates flow-dependent transport delays, and a Physics-Guided Dynamic Graph that incorporates physical priors to learn time-varying interaction structures while suppressing spurious correlations. Experiments on four industrial benchmarks spanning heterogeneous regimes demonstrate that DSPR consistently improves forecasting accuracy and robustness under regime shifts while maintaining strong physical plausibility. It achieves state-of-the-art predictive performance, with Mean Conservation Accuracy exceeding 99% and Total Variation Ratio reaching up to 97.2%. Beyond forecasting, the learned interaction structures and adaptive lags provide interpretable insights that are consistent with known domain mechanisms, such as flow-dependent transport delays and wind-to-power scaling behaviors. These results suggest that architectural decoupling with physics-consistent inductive biases offers an effective path toward trustworthy industrial time-series forecasting. Furthermore, DSPR's demonstrated robust performance in long-term industrial deployment bridges the gap between advanced forecasting models and trustworthy autonomous control systems.
Authors: Rafael da Silva, Jeff Eicher, Gregory Longo
Abstract: This study proposes a temporal modeling framework with a counterfactual policy-simulation layer for student dropout in higher education, using LMS engagement data and administrative withdrawal records. Dropout is operationalized as a time-to-event outcome at the enrollment level; weekly risk is modeled in discrete time via penalized, class-balanced logistic regression over person--period rows. Under a late-event temporal holdout, the model attains row-level AUCs of 0.8350 (train) and 0.8405 (test), with aggregate calibration acceptable but sparsely supported in the highest-risk bins. Ablation analyses indicate performance is sensitive to feature set composition, underscoring the role of temporal engagement signals. A scenario-indexed policy layer produces survival contrasts $\Delta S(T)$ under an explicit trigger/schedule contract: positive contrasts are confined to the shock branch ($T_{\rm policy}=18$: 0.0102, 0.0260, 0.0819), while the mechanism-aware branch is negative ($\Delta S_{\rm mech}(18)=-0.0078$, $\Delta S_{\rm mech}(38)=-0.0134$). A subgroup analysis by gender quantifies scenario-induced survival gaps via bootstrap; contrasts are directionally stable but small. Results are not causally identified; they demonstrate the framework's capacity for internal structural scenario comparison under observational data constraints.
Authors: Lifeng Chen, Tianqi You, Hao Liu, Zhimin Bao, Jile Jiao, Xiao Han, Zhicai Ou, Tao Sun, Xiaofeng Mou, Xiaojie Jin, Yi Xu
Abstract: Chest X-ray report generation (CXR-RG) has the potential to substantially alleviate radiologists' workload. However, conventional autoregressive vision--language models (VLMs) suffer from high inference latency due to sequential token decoding. Diffusion-based models offer a promising alternative through parallel generation, but they still require multiple denoising iterations. Compressing multi-step denoising to a single step could further reduce latency, but often degrades textual coherence due to the mean-field bias introduced by token-factorized denoisers. To address this challenge, we propose \textbf{ECHO}, an efficient diffusion-based VLM (dVLM) for chest X-ray report generation. ECHO enables stable one-step-per-block inference via a novel Direct Conditional Distillation (DCD) framework, which mitigates the mean-field limitation by constructing unfactorized supervision from on-policy diffusion trajectories to encode joint token dependencies. In addition, we introduce a Response-Asymmetric Diffusion (RAD) training strategy that further improves training efficiency while maintaining model effectiveness. Extensive experiments demonstrate that ECHO surpasses state-of-the-art autoregressive methods, improving RaTE and SemScore by \textbf{64.33\%} and \textbf{60.58\%} respectively, while achieving up to \textbf{$8\times$} inference speedup with negligible degradation in clinical accuracy.
Authors: Azza Fadhel, The Hung Tran, Trong Nghia Hoang, Jana Doppa
Abstract: We consider the problem of offline black-box optimization, where the goal is to discover optimal designs (e.g., molecules or materials) from past experimental data. A key challenge in this setting is data scarcity: in many scientific applications, only small or poor-quality datasets are available, which severely limits the effectiveness of existing algorithms. Prior work has theoretically and empirically shown that performance of offline optimization algorithms depends on how well the surrogate model captures the optimization bias (i.e., ability to rank input designs correctly), which is challenging to accomplish with limited experimental data. This paper proposes Surrogate Learning with Optimization Bias via Synthetic Task Generation (OptBias), a meta-learning framework that directly tackles data scarcity. OptBias learns a reusable optimization bias by training on synthetic tasks generated from a Gaussian process, and then fine-tunes the surrogate model on the small data for the target task. Across diverse continuous and discrete offline optimization benchmarks, OptBias consistently outperforms state-of-the-art baselines in small data regimes. These results highlight OptBias as a robust and practical solution for offline optimization in realistic small data settings.
Authors: Huan Lin, Lianghui Ding
Abstract: Large-scale Unmanned Aerial Vehicle (UAV) failures can split an unmanned aerial vehicle swarm network into disconnected sub-networks, making decentralized recovery both urgent and difficult. Centralized recovery methods depend on global topology information and become communication-heavy after severe fragmentation. Decentralized heuristics and multi-agent reinforcement learning methods are easier to deploy, but their performance often degrades when the swarm scale and damage severity vary. We present Physics-informed Graph Adversarial Imitation Learning algorithm (PhyGAIL) that adopts centralized training with decentralized execution. PhyGAIL builds bounded local interaction graphs from heterogeneous observations, and uses physics-informed graph neural network to encode directional local interactions as gated message passing with explicit attraction and repulsion. This gives the policy a physically grounded coordination bias while keeping local observations scale-invariant. It also uses scenario-adaptive imitation learning to improve training under fragmented topologies and variable-length recovery episodes. Our analysis establishes bounded local graph amplification, bounded interaction dynamics, and controlled variance of the terminal success signal. A policy trained on 20-UAV swarms transfers directly to swarms of up to 500 UAVs without fine-tuning, and achieves better performance across reconnection reliability, recovery speed, motion safety, and runtime efficiency than representative baselines.
Authors: Erchi Wang, Pengrun Huang, Eli Chien, Om Thakkar, Kamalika Chaudhuri, Yu-Xiang Wang, Ruihan Wu
Abstract: Differential privacy (DP) has a wide range of applications for protecting data privacy, but designing and verifying DP algorithms requires expert-level reasoning, creating a high barrier for non-expert practitioners. Prior works either rely on specialized verification languages that demand substantial domain expertise or remain semi-automated and require human-in-the-loop guidance. In this work, we investigate whether large language models (LLMs) can automate DP reasoning. We introduce DPrivBench, a benchmark in which each instance asks whether a function or algorithm satisfies a stated DP guarantee under specified assumptions. The benchmark is carefully designed to cover a broad range of DP topics, span diverse difficulty levels, and resist shortcut reasoning through trivial pattern matching. Experiments show that while the strongest models handle textbook mechanisms well, all models struggle with advanced algorithms, revealing substantial gaps in current DP reasoning capabilities. Through further analytic study and failure-mode analysis, we identify several promising directions for improving automated DP reasoning. Our benchmark provides a solid foundation for developing and evaluating such methods, and complements existing benchmarks for mathematical reasoning.
Authors: Tristan Kirscher (ICube, Institut Strauss), Alexandra Ertl (DKFZ), Klaus Maier-Hein (DKFZ), Xavier Coubez (Institut Strauss), Philippe Meyer (ICube, Institut Strauss), Sylvain Faisan (ICube)
Abstract: Pancreatic ductal adenocarcinoma (PDAC) segmentation on contrast-enhanced CT is inherently ambiguous: inter-rater disagreement among experts reflects genuine uncertainty rather than annotation noise. Standard deep learning approaches assume a single ground truth, producing probabilistic outputs that can be poorly calibrated and difficult to interpret under such ambiguity. We present TwinTrack, a framework that addresses this gap through post-hoc calibration of ensemble segmentation probabilities to the empirical mean human response (MHR) -the fraction of expert annotators labeling a voxel as tumor. Calibrated probabilities are thus directly interpretable as the expected proportion of annotators assigning the tumor label, explicitly modeling inter-rater disagreement. The proposed post-hoc calibration procedure is simple and requires only a small multi-rater calibration set. It consistently improves calibration metrics over standard approaches when evaluated on the MICCAI 2025 CURVAS-PDACVI multi-rater benchmark.
Authors: Maksim Zhdanov, Ana Lucic, Max Welling, Jan-Willem van de Meent
Abstract: We introduce Mosaic, a probabilistic weather forecasting model that addresses three failure modes of spectral degradation in ML-based weather prediction: spectral damping (statistical), high-frequency aliasing (architectural), and residual high-frequency leakage (parametric). Mosaic generates ensemble members through learned functional perturbations and operates on native-resolution grids via mesh-aligned block-sparse attention, a hardware-aligned mechanism that captures long-range dependencies at linear cost by sharing keys and values across spatially adjacent queries. At 1.5{\deg} resolution with 214M parameters, Mosaic matches or outperforms models trained on 6$\times$ finer resolution on key variables and achieves state-of-the-art results among 1.5{\deg} models, producing well-calibrated ensembles whose individual members exhibit near-perfect spectral alignment across all resolved frequencies. A 24-member, 10-day forecast takes under 12s on a single H100~GPU. Code is available at https://github.com/maxxxzdn/mosaic.
Authors: Yuyuan Chen, Shiyi Wang, Peter Potaptchik, Jaeyeon Kim, Michael S. Albergo
Abstract: Masked diffusion large language models (dLLMs) are a promising alternative to autoregressive generation. While reinforcement learning (RL) methods have recently been adapted to dLLM fine-tuning, their objectives typically depend on sequence-level marginal likelihoods, which are intractable for masked diffusion models. To address this, we derive Discrete Tilt Matching (DTM), a likelihood-free method that recasts dLLM fine-tuning as state-level matching of local unmasking posteriors under reward tilting. DTM takes the form of a weighted cross-entropy objective with explicit minimizer, and admits control variates that improve training stability. On a synthetic maze-planning task, we analyze how DTM's annealing schedule and control variates affect training stability and prevent mode collapse. At scale, fine-tuning LLaDA-8B-Instruct with DTM yields strong gains on Sudoku and Countdown while remaining competitive on MATH500 and GSM8K.
Authors: Yunbo Long, Tejumade Afonja, Guangya Hao, Alexandra Brintrup, Mario Fritz
Abstract: Tabular language models can generate synthetic tables by modeling rows as token sequences, but they are typically trained once with supervised fine-tuning and then used as static synthesizers. This is limiting because next-token likelihood does not directly optimize the distributional, utility, and indistinguishability properties used to evaluate synthetic data. We study iterative reward-guided post-training for tabular language models through a generate--score--align protocol, where a generator samples synthetic rows, a task-specified reward ranks them, and the model is updated relative to a fixed supervised reference. Within this protocol, we propose \textbf{TabGRAA} (\textbf{Tab}ular \textbf{G}roup-\textbf{R}elative \textbf{A}dvantage \textbf{A}lignment), a group-relative alignment method that compares high- and low-reward generated groups using group-averaged policy/reference log-ratios rather than one-to-one preference pairs. Across five mixed-type benchmarks, TabGRAA improves a GReaT backbone beyond additional supervised fine-tuning and achieves the strongest average trade-off among adapted DPO, KTO, and NPO baselines on fidelity and downstream utility, while maintaining empirical privacy diagnostics near the supervised baseline. Ablations show that the gains depend on meaningful reward ranking and stable group-level updates rather than extra training alone. Reward-substitution and scorer-separation studies further show that the post-training loop can use both classifier-based and classifier-free rewards, and that proper scorer separation is important for preserving the fidelity--utility--privacy trade-off. These results position TabGRAA as a self-improving post-training method for tabular language-model generators, complementary to strong static tabular synthesizers.
Authors: William Feng, Ethan Lou, Aryan Sharma
Abstract: Lean 4 autoformalization has become increasingly popular in recent years, with frontier language models and open-weight autoformalizers now producing valid formalizations of mathematical theorems. However, these evaluations often rely on single canonical phrasings of theorems and rarely probe whether outputs are robust to natural variation in inputs, while prior work has shown that semantically equivalent paraphrases often induce divergent formal outputs. We study the structure of these divergences in Lean 4 by applying deterministic paraphrase rules to datasets of undergraduate and Olympiad-level math problems. Across four frontier models and three open-weight autoformalizers, we find that paraphrase sensitivity is dominated by failures at the code-generation layer, and that these failures are typed differently by dataset. Furthermore, these patterns generalize to open-weight models, showing that state-of-the-art autoformalizers still struggle to generate valid Lean code. Our results provide a failure-mode taxonomy for autoformalization and motivate training-time interventions targeted at specific compilation failures.
Authors: Vugar Ismailov
Abstract: We analyze the universal approximation property of Kolmogorov-Arnold Networks (KANs) in terms of their edge functions. If these functions are all affine, then universality clearly fails. How many non-affine functions are needed, in addition to affine ones, to ensure universality? We show that a single one suffices. More precisely, we prove that deep KANs in which all edge functions are either affine or equal to a fixed continuous function $\sigma$ are dense in $C(K)$ for every compact set $K\subset\mathbb{R}^n$ if and only if $\sigma$ is non-affine. In contrast, for KANs with exactly two hidden layers, universality holds if and only if $\sigma$ is nonpolynomial. We further show that the full class of affine functions is not required; it can be replaced by a finite set without affecting universality. In particular, in the nonpolynomial case, a fixed family of five affine functions suffices when the depth is arbitrary. More generally, for every continuous non-affine function $\sigma$, there exists a finite affine family $A_\sigma$ such that deep KANs with edge functions in $A_\sigma\cup\{\sigma\}$ remain universal. We also prove that KANs with the spline-based edge parameterization introduced by Liu et al.~\cite{Liu2024} are universal approximators in the classical sense, even when the spline degree and knot sequence are fixed in advance. This paper also has implications for the theory of superpositions of real functions. In particular, we show that every continuous multivariate function can be approximated arbitrarily well using only the coordinate functions and two fixed univariate functions under repeated addition and composition.
Authors: Rushil Chandrupatla, Leo Bangayan, Sebastian Leng
Abstract: Transformers have demonstrated a strong ability for in-context learning (ICL), enabling models to solve previously unseen tasks using only example input output pairs provided at inference time. While prior theoretical work has established conditions under which transformers can perform linear classification in-context, the empirical scaling behavior governing when this mechanism succeeds remains insufficiently characterized. In this paper, we conduct a systematic empirical study of in-context learning for Gaussian-mixture binary classification tasks. Building on the theoretical framework of Frei and Vardi (2024), we analyze how in-context test accuracy depends on three fundamental factors: the input dimension, the number of in-context examples, and the number of pre-training tasks. Using a controlled synthetic setup and a linear in-context classifier formulation, we isolate the geometric conditions under which models successfully infer task structure from context alone. We additionally investigate the emergence of benign overfitting, where models memorize noisy in-context labels while still achieving strong generalization performance on clean test data. Through extensive sweeps across dimensionality, sequence length, task diversity, and signal-to-noise regimes, we identify the parameter regions in which this phenomenon arises and characterize how it depends on data geometry and training exposure. Our results provide a comprehensive empirical map of scaling behavior in in-context classification, highlighting the critical role of dimensionality, signal strength, and contextual information in determining when in-context learning succeeds and when it fails.
Authors: Georgios I. Orfanidis, Dimitris A. Pados, George Sklivanitis, Elizabeth S. Bentley
Abstract: Motivated by sensing modalities in modern autonomous systems that involve hardware-constrained spatial sampling over large arrays with limited coherence time, we develop a novel framework for rapid super-resolution multi-signal direction-of-arrival (DoA) estimation based on Hankel-structured sensing and data matrix decomposition of arbitrary rank, under both the $L_2$ and $L_1$-norm formulation. The resulting $L_2$-norm estimator is shown to be maximum-likelihood optimal in white Gaussian noise. The $L_1$-norm estimator is shown to be maximum-likelihood optimal in independent, identically distributed (i.i.d.) isotropic Laplace noise, offering broad robustness to impulsive interference and corrupted measurements commonly encountered in practice. Extensive simulations demonstrate that the proposed methods exhibit powerful super-resolution capabilities, requiring significantly lower SNR and achieving substantially higher resolution probability than recent competing approaches.
Authors: Wenhao Lan, Shan Li, Junbin Yang, Haihua Shen, Yijun Yang
Abstract: Safety-aligned language models must refuse harmful requests without collapsing into broad over-refusal, yet it remains unclear how dynamic adversarial fine-tuning changes the internal carriers of refusal. We study one 7B backbone under supervised fine-tuning (SFT) and under Robust Refusal Dynamic Defense (R2D2), a HarmBench-style adversarial fine-tuning procedure that repeatedly refreshes harmful training cases with current jailbreak attacks. Our protocol aligns fixed-source HarmBench, StrongREJECT, and XSTest with a five-anchor refusal-geometry suite, causal interventions, and a sparse adaptive stress test. R2D2 drives fixed-source HarmBench attack success to zero at early checkpoints, but that regime coincides with maximal XSTest refusal and complete failure on a benign-utility audit. Later checkpoints partially recover benign utility while partially reopening attack success. Sparse adaptive attacks sharpen the same frontier: step~50 remains closed under both adaptive GCG and AutoDAN, whereas adaptive GCG ASR rises to 0.415 at step~250 and 0.613 at step~500. Geometrically, R2D2 preserves a late-layer admissible carrier through step~100 and relocates the best admissible carrier to an early layer by step~250; SFT relocates earlier while remaining less robust. Effective rank remains near 1.24, and SFT exhibits larger principal-angle drift despite worse robustness. Causal interventions show that late-stage R2D2 behavior is controlled by a low-dimensional but utility-coupled carrier. These results support a geometry-reorganization account along a robustness--utility frontier.
Authors: Shijin Gong, Kai Ye, Jin Zhu, Xinyu Zhang, Hongyi Zhou, Chengchun Shi
Abstract: Recent advances in large language models (LLMs) have increasingly relied on reinforcement learning (RL) to improve their reasoning capabilities. Three types of approaches have been widely adopted: The first relies on a deep neural network to estimate the value function of the learning policy in order to reduce the variance of the policy gradient. However, estimating and maintaining such a value network incurs substantial computational and memory overhead. The second avoids training a value network by approximating the value function using sample averages. However, it samples a large number of reasoning traces per prompt for accurate value function approximation, making it computationally expensive. The third samples only a single reasoning trajectory per prompt, which reduces computational cost but suffers from poor sample efficiency. This paper focuses on a practical, resource-constrained setting in which only a small number of reasoning traces can be sampled per prompt, while low-variance gradient estimation remains essential for high-quality policy learning. To address this challenge, we bring classical nonparametric statistical methods, which are both computationally and statistically efficient, to LLM reasoning. We employ kernel smoothing as a concrete example for value function estimation and the subsequent policy optimization. Numerical and theoretical results demonstrate that our proposal achieves accurate value and gradient estimation, leading to improved policy optimization.
Authors: Prabhjot Singh, Abhishek Gupta, Chris Betz, Abe Flansburg, Brett Ives, Sudeep Lama, Jung Hoon Son
Abstract: We reframe clinician overrides of clinical AI recommendations as implicit preference data - the same signal structure exploited by reinforcement learning from human feedback (RLHF), but richer: the annotator is a domain expert, the alternatives carry real consequences, and downstream outcomes are observable. We present a formal framework extending standard preference learning with three contributions: a five-category override taxonomy mapping override types to distinct model update targets; a preference formulation conditioned on patient state s, organizational context c, and clinician capability kappa, where kappa decomposes into execution capability kappa-exec and alignment capability kappa-align; and a dual learning architecture that jointly trains a reward model and a capability model via alternating optimization, preventing a failure mode we term suppression bias-the systematic suppression of correct-but-difficult recommendations when clinician capability falls below the execution threshold. We argue that chronic disease management under outcome-based payment contracts produces override data with uniquely favorable properties-longitudinal density, concentrated decision space, outcome labels, and natural capability variation-and that training environments combining longitudinal outcome measurement with aligned financial incentives are a necessary condition for learning a reward model aligned with patient trajectory rather than with encounter economics. This framework emerged from operational work to improve clinician capability in a live value-based care deployment.
Authors: Yikai Wang, Shang Liu, Jose Blanchet
Abstract: Reinforcement learning from human feedback (RLHF) has become a core post-training step for aligning large language models, yet the reward signal used in RLHF is only a learned proxy for true human utility. From an operations research perspective, this creates a decision problem under objective misspecification: the policy is optimized against an estimated reward, while deployment performance is determined by an unobserved objective. The resulting gap leads to reward over-optimization, or Goodharting, where proxy reward continues to improve even after true quality deteriorates. Existing mitigations address this problem through uncertainty penalties, pessimistic rewards, or conservative constraints, but they can be computationally burdensome and overly pessimistic. We propose Wasserstein distributionally robust regret optimization (DRRO) for RLHF. Instead of pessimizing worst-case value as in standard DRO, DRRO pessimizes worst-case regret relative to the best policy under the same plausible reward perturbation. We study the promptwise problem through a simplex allocation model and show that, under an $\ell_1$-ground-cost Wasserstein ambiguity set, the inner worst-case regret admits an exact solution and the optimal policy has a water-filling structure. These results lead to a practical policy-gradient algorithm with a simple sampled-bonus interpretation and only minor changes to GRPO-style RLHF training. The framework also clarifies theoretically why DRRO is less pessimistic than DRO, and our experiments show that DRRO mitigates over-optimization more effectively than existing baselines while standard DRO is systematically over-pessimistic.
Authors: Claire Chen, Yuheng Zhang
Abstract: Offline multi-agent reinforcement learning in general-sum settings is challenged by the distribution shift between logged datasets and target equilibrium policies. While standard methods rely on manual pessimistic penalties, we demonstrate that KL regularization suffices to stabilize learning and achieve equilibrium recovery. We propose General-sum Anchored Nash Equilibrium (GANE), which recovers regularized Nash equilibria at an accelerated statistical rate of $\widetilde{O}(1/n)$. For computational tractability, we develop General-sum Anchored Mirror Descent (GAMD), an iterative algorithm converging to a Coarse Correlated Equilibrium at the standard rate of $\widetilde{O}(1/\sqrt{n}+1/T)$. These results establish KL regularization as a standalone mechanism for pessimism-free offline learning that achieves equivalent or accelerated rates in multi-player general-sum games.
Authors: Youngmin Oh
Abstract: We study linear dueling bandits in volatile environments characterized by the simultaneous presence of post-serving contexts, delayed feedback, and adversarial corruption. Feedback is subject to unknown stochastic or adversarial delays and a cumulative corruption budget $\mathcal{C}$. To address these challenges, we propose \term, which integrates a learned approximator that predicts post-serving contexts from pre-serving information. It further employs an adaptive weighting strategy that clips feature vectors to mitigate the impact of corrupted and delayed observations simultaneously. Under standard regularity conditions and a parametric post-serving mapping, we rigorously establish that our algorithm is delay-regime-agnostic, achieving a regret upper bound of $\widetilde{\mathcal{O}}(d(\sqrt{T} + \mathcal{C} + \mathcal{D}))$, where $d$ is the total feature dimension and $\mathcal{D}$ encapsulates the delay complexity. Crucially, our analysis reveals an additive cost structure between corruption and delay, avoiding the multiplicative degradation typical of prior works. We further establish lower bounds that nearly match our upper bounds up to a $\sqrt{d}$ factor for adversarial delays in the absence of post-serving contexts.
Authors: Soyeon Kim, Seongwoo Lim, Kyowoon Lee, Jaesik Choi
Abstract: Feature attribution is central to diagnosing and trusting deep neural networks, and Integrated Gradients (IG) is widely used due to its axiomatic properties. However, IG can yield unreliable explanations when the integration path between a baseline and the input passes through regions with noisy gradients. While Guided Integrated Gradients reduces this sensitivity by adaptively updating low-gradient-magnitude features, input-space guidance still produces intermediate inputs that deviate from the data manifold. To address this limitation, we propose \emph{Manifold-Aligned Guided Integrated Gradients} (MA-GIG), which constructs attribution paths in the latent space of a pre-trained variational autoencoder. By decoding intermediate latent states, MA-GIG biases the path toward the learned generative manifold and reduces exposure to implausible input-space regions. Through qualitative and quantitative evaluations, we demonstrate that MA-GIG produces faithful explanations by aggregating gradients on path features proximal to the input. Consequently, our method reduces off-manifold noise and outperforms prior path-based attribution methods across multiple datasets and classifiers. Our code is available at https://github.com/leekwoon/ma-gig/.
Authors: Jeff Breeding-Allison, Emil Walleser
Abstract: Evaluating canine electrocardiograms (ECGs) is challenging due to noise that can obscure clinically relevant cardiac electrical activity. Common sources of interference include respiration, muscle activity, poor lead contact, and external electrical artifacts. Classical signal denoising techniques, such as filtering and wavelet-based methods, struggle to suppress diverse noise patterns while preserving morphological features critical for accurate ECG delineation. We propose an autoencoder-based neural network model and training strategy for ECG denoising as a preprocessing step for canine ECG analysis. The model is trained to reconstruct clean cardiac signals from noisy inputs, enabling effective noise reduction without degrading diagnostically important waveforms. Our approach demonstrates strong performance across both noisy and clean ECG recordings, indicating robustness to varying signal conditions and suitability for downstream delineation tasks.
Authors: Zhenghao Huang, Huilin Yao, Kaikai Wang
Abstract: Surface electromyography provides a practical way to infer human movement intention from wearable muscle recordings, but models trained under a single acquisition setting often lose reliability when the user, session, electrode layout, or gesture protocol changes. This paper proposes AEMG, a self-supervised learning approach designed to extract reusable neuromuscular representations from diverse EMG sources. Eight public gesture datasets are first transformed into a shared signal format to reduce discrepancies in channel configuration, sensor topology, and recording protocol. Instead of relying on fixed-length sliding windows, AEMG identifies contraction events from energy variations and represents them as compact neuromuscular tokens, while ordered token groups describe the coordinated activity of multiple muscles during motion. A spatially and temporally conditioned Transformer is then used to encode these token sequences, preserving information about electrode position, activation timing, and sequential structure. For pre-training, the model constructs a discrete library of contraction prototypes through vector-quantized reconstruction and further learns contextual dependencies by recovering masked neuromuscular tokens from surrounding observations. Experiments under leave-one-subject-out and low-label adaptation settings show that the learned representation improves robustness to unseen users and reduces the amount of calibration data required for gesture recognition. These findings suggest that event-level token modeling offers a scalable route toward adaptable and data-efficient EMG-based motor-intent understanding.
Authors: Fabian A Mikulasch, Friedemann Zenke
Abstract: Self-supervised learning (SSL) excels at finding general-purpose latent representations from complex data, yet lacks a unifying theoretical framework that explains the diverse existing methods and guides the design of new ones. We cast SSL as latent distribution matching (LDM): learning representations that maximize their log-probability under an assumed latent model (alignment), while maximizing latent entropy to prevent collapse (uniformity). This view unifies independent component analysis with contrastive, non-contrastive, and predictive SSL methods, including stop gradient approaches. Leveraging LDM, we derive a nonlinear, sampling-free Bayesian filtering model with a Kalman-based predictor for high-dimensional timeseries. We further prove that predictive LDM yields identifiable latent representations under mild assumptions, even with nonlinear predictors. Overall, LDM clarifies the assumptions behind established SSL methods and provides principled guidance for developing new approaches.
Authors: Mohammad Al Ridhawi, Mahtab Haj Ali, Hussein Al Osman
Abstract: Agentic artificial intelligence systems produce outputs through sequences of interdependent autonomous decisions, yet standard evaluation assesses outputs alone and cannot diagnose the underlying process. We develop a behavioral evaluation methodology that complements output-level testing by scoring the intermediate decision process itself. Behavioral traces logged at each autonomous decision point are grouped into five-day episodes and scored along six domain-specific dimensions (regime detection, routing, adaptation, risk calibration, strategy coherence, error recovery) by an ensemble of three large language model (LLM) judges. A perturbation procedure that corrupts one dimension while leaving the other five intact confirms dimension specificity; cross-model agreement reaches Krippendorff's alpha = 0.85. The composite behavioral score correlates at Spearman rho = 0.72 with realized 20-day Sharpe ratio. Closing the loop, the framework converts deficient per-dimension scores into a credit-assigned penalty added to the Soft Actor-Critic reward. Three fine-tuning cycles, confined to validation data, reduce one-day MAPE from 0.61% to 0.54% (11.5% relative; p<0.001, d=0.31) on the held-out 2017 to 2025 test period, significant under Diebold-Mariano and localized by Giacomini-White to the high-volatility regime. The methodology is application-agnostic and applies to any agentic system whose intermediate decisions can be logged.
Authors: Majid Mohammadi, Grigory Reznikov, Pavel Sinitcyn, Krikamol Muandet, Siu Lun Chau
Abstract: We study the efficient computation of Shapley values for \emph{product games} -- cooperative games in which the coalition value factorizes as a product of per-player terms. Such games arise in machine learning explainability whenever the value function inherits a multiplicative structure from the underlying model, as in kernel methods with product kernels and tree-based models. Our key result is that the Shapley value of each player in a product game admits an exact one-dimensional integral representation: the weighted sum over exponentially many feature coalitions collapses to the integral of a degree-$(d-1)$ polynomial over $[0,1]$, where $d$ is the total number of features. This yields a Gauss--Legendre quadrature scheme that is \emph{provably exact} whenever the number of nodes satisfies $m_q \geq \lceil d/2 \rceil$, and otherwise provides a \emph{near-exact} approximation with error provably decaying geometrically in $m_q$. In practice, a few hundred nodes can achieve highly precise estimates even with thousands of features. Building on this formulation, we derive a numerically stable implementation via log-space evaluation, together with an efficient parallel implementation based on associative scan primitives that achieves $O(d\,m_q)$ total work and $O(\log d)$ parallel time. Experiments show that \textsc{QuadraSHAP} is the fastest numerically stable method across all tested configurations.
Authors: Pei-Sen Li
Abstract: Sequence-level evaluations in autoregressive Large Language Models (LLMs) rely on highly dependent token generation. Establishing tight concentration bounds for these processes remains a challenge due to two fundamental bottlenecks in existing frameworks: (i) classical inequalities typically separate dependency structures from target sensitivities, leading to a scalar collapse that inflates the variance proxy to a suboptimal $\mathcal{O}(N)$ for sparse terminal rewards; (ii) conversely, while certain spatial methods achieve tighter bounds, they lack the strictly causal filtration required by sequential generation, rendering them inapplicable to the autoregressive setting. To resolve both bottlenecks, we establish a sharp McDiarmid-type inequality for dependent sequences, governed strictly by the exact matrix-vector multiplication of the causal dependency resolvent and the target sensitivity vector. This Matrix-Decoupled Concentration (MDC) framework natively recovers optimal constants for Markov chains and exploits directed $d$-separation to yield order-optimal bounds for causal trees. Crucially, by exactly preserving the coordinate-wise sparsity of rewards within a strictly causal framework, MDC mathematically prevents scalar collapse, guaranteeing a dimension-free $\mathcal{O}(1)$ variance proxy and providing a rigorous mathematical justification for the stability of long-context reasoning.
Authors: Sepideh Avizheh, 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: 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: 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 CarCrashNet, a public high-fidelity open-source benchmark for data-driven structural crash simulation. 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 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 CrashSolver against state-of-the-art geometric deep learning and transformer-based neural solvers. Our results position 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: 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: Aditi J. Shelke, Renuka J. Shelke, Yash M. Kamerkar, Nitin P. Hazarani
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: 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: 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 Hessian 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: Mingsong Yan, Dongyang Li, Charles Kulick, Sui Tang
Abstract: Mechanistic accounts of in-context learning (ICL) have identified iterative algorithms for linear regression and related linear prediction tasks, often using linear or ReLU attention variants. For nonlinear ICL, prior work has related softmax and kernelized attention to functional-gradient-type dynamics, but it remains unclear whether a standard transformer with softmax attention can implement a convergent solver with an end-to-end prediction-error guarantee. In this paper, we study in-context kernel ridge regression (KRR) with Gaussian kernels and show that a standard softmax-attention transformer can approximate the KRR predictor during its forward pass by implementing preconditioned Richardson iteration on the associated kernel linear system. Under bounded-data assumptions, we construct a single-head transformer with $O(\log(1/\epsilon))$ blocks and MLP width $O(\sqrt{N/\epsilon})$ that achieves $\epsilon$-accurate prediction for prompts of length $N$. Our construction reveals a functional decomposition within the transformer architecture: softmax attention produces a row-normalized Gaussian-kernel operator needed for cross-token interactions, while ReLU MLP layers act locally to approximate the intra-token scalar arithmetic required by the update. Empirically, we train GPT-2-style transformers on Gaussian-process regression tasks to further test the preconditioned Richardson interpretation. Through linear probing, we compare the transformer's layer-wise predictions with the step-wise outputs of classical KRR solvers and find that its error profiles align most consistently with preconditioned Richardson iteration. Ablation studies further support this interpretation. Together, our theory and experiments identify preconditioned Richardson iteration as a concrete mechanism that softmax-attention transformers can realize for nonlinear in-context Gaussian-kernel regression.
Authors: Vincent Guan, Lazar Atanackovic, Kirill Neklyudov
Abstract: The population dynamics of molecules, cells, and organisms are governed by a number of unknown forces. In the last decade, population dynamics have predominantly been modeled with Wasserstein gradient flows. However, since gradient flows minimize free energy, they fail to capture important dynamical properties, such as periodicity. In this work, we propose a change in perspective by considering dynamics that minimize a population-level action under a damped Wasserstein Lagrangian. By deriving the corresponding Hamiltonian equations of motion, we formalize Wasserstein Lagrangian Mechanics, a structured class of second-order dynamics that encompasses classical mechanics, quantum mechanics, and gradient flows. We then propose WLM as the first algorithm that learns these second-order dynamics from observed marginals, without specifying the Lagrangian. By directly learning the population mechanics, WLM can both forecast and interpolate unseen marginals, and outperforms existing gradient flow and flow matching methods across a wide range of dynamics, including vortex dynamics, embryonic development, and flocking.
Authors: Shengkun Tang, Zekun Wang, Bo Zheng, Liangyu Wang, Rui Men, Siqi Zhang, Xiulong Yuan, Zihan Qiu, Zhiqiang Shen, Dayiheng Liu
Abstract: Structured pruning and knowledge distillation (KD) are typical techniques for compressing large language models, but it remains unclear how they should be applied at pretraining scale, especially to recent mixture-of-experts (MoE) models. In this work, we systematically study MoE compression in large-scale pretraining, focusing on three key questions: whether pruning provides a better initialization than training from scratch, how expert compression choices affect the final model after continued training, and which training strategy is most effective. We have the following findings: First, across depth, width, and expert compression, pruning a pretrained MoE consistently outperforms training the target architecture from scratch under the same training budget. Second, different one-shot expert compression methods converge to similar final performance after large-scale continual pretraining. Motivated by this, we introduce a simple partial-preservation expert merging strategy that improves downstream performance across most benchmarks. Third, combining KD with the language modeling loss outperforms KD alone, particularly on knowledge-intensive tasks. We further propose multi-token prediction (MTP) distillation, which yields consistent gains. Finally, given the same training tokens, progressive pruning schedules outperform one-shot compression, suggesting that gradual architecture transitions lead to better optimization trajectories. Putting it all together, we compress Qwen3-Next-80A3B to a 23A2B model that retains competitive performance. These results offer practical guidance for efficient MoE compression at scale.
Authors: Xingyu Song, Yuan Mei, Naoya Takeishi
Abstract: Modern generative models can be understood as probability transport from a simple base distribution to a target data distribution. Deterministic transport models offer tractable velocity-field parameterizations, whereas stochastic generative models capture richer density evolution through drift and diffusion. Yet when stochastic dynamics are described through deterministic velocity fields, the effects of drift and diffusion are often compressed into a single effective field, obscuring the distinct roles of deterministic evolution and stochastic fluctuation. In this work, we show that the deterministic field \(b_t\) of a stochastic generative process admits a natural transport--osmotic decomposition that separates deterministic transport from stochastic, diffusion-induced effects: \(b_t = u_t + d_t\), where \(u_t\) governs marginal probability transport and \(d_t\) captures an osmotic effect induced by diffusion and determined by the marginal score. Based on this decomposition, we propose Bridge Matching, a flow-based framework for learning decomposed generative dynamics through both marginal and conditional formulations. In generative modeling experiments, we recombine the learned components as \(b_t = u_t + \lambda_d d_t\), showing that the proposed decomposition enables interpretable and controllable sampling by adjusting the osmotic contribution in probability transport.
Authors: Surbhi Goel, Jonathan Pei, James Wang
Abstract: Behavior cloning provides strong imitation learning guarantees when training and test environments share the same dynamics. However, in many deployment settings the test environment's transitions differ from training, and classical offline IL offers no recourse: the learner must commit to an action at every state, even when its demonstrations are uninformative and could lead to arbitrary degradation of performance. This motivates the study of selective imitation, where the learner may choose to stop when it cannot act reliably. We introduce a model for selective imitation under arbitrary dynamics shift: given labeled expert demonstrations from a training environment and unlabeled state trajectories from the same expert in a test environment, the learner outputs a selective policy that is complete (rarely stops in training) and sound (incurs low regret before stopping in test). Our algorithm, SeqRejectron, constructs a stopping rule using a small set of validator policies whose size is independent of the horizon or policy class. For deterministic policies, this yields horizon-free $\tilde{O}(\log|\Pi|/\epsilon^2)$ sample complexity, assuming sparse costs. For stochastic policies, we obtain analogous horizon-free guarantees using a cumulative Hellinger stopping time. We extend the framework to misspecified experts and different expert policies across train and test and obtain results that gracefully degrade with the amount of misspecification.
Authors: Will LeVine, Brendan Evers, Sam Saltwick, Abhay Venkatesh
Abstract: Iterative self-refinement is a popular inference-time reliability technique, but its effectiveness in code-mode tool use depends heavily on the structure of the feedback signal: unstructured critique helps inconsistently across models, and even revision with real execution feedback improves only modestly ($0.75$ vs. $0.65$ baseline). The dominant failures are inter-tool contract violations (wrong output shape, incorrect tool routing, broken argument provenance) that run to completion without raising errors, making runtime feedback insufficient. We introduce RubricRefine, a training-free method for pre-execution semantic contract verification that generates task- and registry-specific rubrics, scores candidate code against explicit contract checks, and iteratively repairs failures before any execution occurs. RubricRefine reaches $0.86$, averaged across seven models, on M3ToolEval with zero execution attempts, improving over prior inference-time baselines with up to $2.6\times$ lower latency. Performance remains flat on the predominantly single-step API-Bank, consistent with the method's reliance on inter-tool contract structure. A rubric-category ablation and calibration analysis further characterize when and why the method works.
Authors: Jimin Huang, Duanyu Feng, Nuo Chen, Xiaoyu Wang, Zhiqiang Zhang, Xueqing Peng, Mingquan Lin, Prayag Tiwari, Guojun Xiong, Alejandro Lopez-Lira, Sophia Ananiadou
Abstract: Federated learning (FL) enables training large language models (LLMs) without sharing raw data, but adapting LLMs under strict data isolation and non-IID client distributions remains challenging in practice. Synthetic data offers a natural privacy-preserving surrogate for local training, yet existing federated pipelines typically treat synthetic generation as static or loosely coupled with downstream optimization, leading to rapidly diminishing utility under heterogeneous clients. We study federated adaptation of LLMs on tabular tasks where raw records and validation data cannot be shared, and local training must rely entirely on synthetic tables. We propose Concordia, a tri-level optimization framework that aligns synthetic data generation with federated validation utility despite these constraints. At the client level, models are adapted via parameter-efficient LoRA training on synthetic tables. Clients additionally learn lightweight utility scorers from private validation feedback to reweight synthetic samples during local training. At the outer level, each client refines its own synthetic table generator using group-relative policy optimization (GRPO), guided by an ensemble of heterogeneous scorers shared across clients, without aggregating generator parameters or exposing validation data. Experiments on privacy-sensitive tabular benchmarks from finance and healthcare demonstrate that Concordia consistently improves federated performance, cross-client stability, and robustness to distribution shift compared to static and decoupled synthetic-data baselines.
Authors: Michal Korniak, Miko{\l}aj Czarnecki, Yarden As, Piotr Mi{\l}o\'s, Pieter Abbeel, Michal Nauman
Abstract: Modern off-policy reinforcement learning algorithms often rely on simple uniform replay sampling and it remains unclear when and why non-uniform replay improves over this strong baseline. Across diverse RL settings, we show that the effectiveness of non-uniform replay is governed by three factors: replay volume, the number of replayed transitions per environment step; expected recency, how recent sampled transitions are; and the entropy of the replay sampling distribution. Our main contribution is clarifying when non-uniform replay is beneficial and providing practical guidance for replay design in modern off-policy RL. Namely, we find that non-uniform replay is most beneficial when replay volume is low, and that high-entropy sampling is important even at comparable expected recency. Motivated by these findings, we adopt a simple Truncated Geometric replay that biases sampling toward recent experience while preserving high entropy and incurring negligible computational overhead. Across large-scale parallel simulation, single-task, and multi-task settings, including three modern algorithms evaluated on five RL benchmark suites, this replay sampling strategy improves sample efficiency in low-volume regimes while remaining competitive when replay volume is high.
Authors: Andreas Bergmeister, Stefanie Jegelka, Nikolas N\"usken, Carles Domingo-Enrich, Jakiw Pidstrigach
Abstract: Diffusion and flow-matching models scale because pretraining is supervised regression: a clean sample is noised analytically, and a model regresses against a closed-form target. RL post-training aligns the model with a reward. In image generation, this makes samples compose objects correctly, render text legibly, and match human preferences. Existing methods rely on costly SDE rollouts, reward gradients, or surrogate losses, sacrificing pretraining's regression structure. We show that the structure extends to RL post-training. Under KL-regularized reward maximization, the optimal generative process tilts the clean-endpoint distribution towards samples with higher reward and leaves the noising law unchanged. Combining this with the adjoint-matching optimality condition and a REINFORCE identity, we derive Reinforce Adjoint Matching (RAM): a consistency loss that corrects the pretraining target with the reward. At each step, we draw a clean endpoint from the current model, evaluate its reward, noise it as in pretraining, and regress. No SDE rollouts, backward adjoint sweeps, or reward gradients are required. Like the pretraining objective, RAM is simple and scales. On Stable Diffusion 3.5M, RAM achieves the highest reward on composability, text rendering, and human preference, reaching Flow-GRPO's peak reward in up to $50\times$ fewer training steps.
Authors: Junhao Shen, Teng Zhang, Xiaoyan Zhao, Hong Cheng
Abstract: Large language model agents increasingly rely on external skills to solve complex tasks, where skills act as modular units that extend their capabilities beyond what parametric memory alone supports. Existing methods assume external skills either accumulate as persistent guidance or internalized into the policy, eventually leading to zero-skill inference. We argue this assumption is overly restrictive, since with limited parametric capacity and uneven marginal contribution across skills, the optimal active skill set is non-monotonic, task- and stage-dependent. In this work, we propose SLIM, a framework of dynamic Skill LIfecycle Management for agentic reinforcement learning (RL), which treats the active external skill set as a dynamic optimization variable jointly updated with policy learning. Specifically, SLIM estimates each active skill's marginal external contribution through leave-one-skill-out validation, then applies three lifecycle operations: retaining high-value skills, retiring skills whose contribution becomes negligible after sufficient exposure, and expanding the skill bank when persistent failures reveal missing capability coverage. Experiments show that SLIM outperforms the best baselines by an average of 7.1% points across ALFWorld and SearchQA. Results further indicate that policy learning and external skill retention are not mutually exclusive: some skills are absorbed into the policy, while others continue to provide external value, supporting SLIM as a more general paradigm for skill-based agentic RL.
Authors: Justin Deschenaux, Caglar Gulcehre
Abstract: Discrete Diffusion Language Models progressed rapidly as an alternative to autoregressive (AR) models, motivated by their parallel generation abilities. However, for tractability, discrete diffusion models sample from a factorized distribution, which is less expressive than AR. Recent Flow Language Models (FLMs) apply continuous flows to language, transporting noise to data with a deterministic ODE that avoids factorized sampling. FLMs operate on one-hot vectors whose dimension scales with the vocabulary size, making FLMs costly to train. Moreover, since all distinct one-hot embeddings are equidistant in $\ell_2$, adding Gaussian noise does not have a clear semantic interpretation (unlike images, where Gaussian noise progressively degrades structure). We introduce $\mathbb{S}$-FLM, a latent FLM in the hypersphere. $\mathbb{S}$-FLM generates sequences by rotating vectors in $\mathbb{S}^{d-1}$ along a velocity field learned with cross-entropy, avoiding the overhead of materializing one-hot vectors. Previous FLMs match AR in Generative Perplexity (Gen.\ PPL), but samples with high likelihood are not necessarily correct in verifiable domains such as math and code. $\mathbb{S}$-FLM substantially improves continuous flow language models on large-vocabulary reasoning and closes the gap to masked diffusion under standard-temperature sampling ($T=1$), while a gap remains under optimized low-temperature ($T=0.1$) decoding.
Authors: Jeongwoo Shin, Dongsoo Shin, Yuchen Zhu, Wei Guo, Yongxin Chen, Joonseok Lee, Jaewoong Choi, Jaemoo Choi
Abstract: Reward fine-tuning has become a common approach for aligning pretrained diffusion and flow models with human preferences in text-to-image generation. Among reward-gradient-based methods, Adjoint Matching (AM) provides a principled formulation by casting reward fine-tuning as a stochastic optimal control (SOC) problem. However, AM inevitably requires a substantial computational cost: it requires (i) stochastic simulation of full generative trajectories under memoryless dynamics, resulting in a large number of function evaluations, and (ii) backward ODE simulation of the adjoint state along each sampled trajectory. In this work, we observe that both bottlenecks are closely tied to the \textit{non-trivial base drift} inherited from the pretrained model. Motivated by this observation, we propose \textbf{Efficient Adjoint Matching (EAM)}, which substantially improves training efficiency by reformulating the SOC problem with a \textit{linear base drift} and a correspondingly modified \textit{terminal cost}. This reformulation removes both sources of inefficiency; it enables training-time sampling with a few-step deterministic ODE solver and yields a closed-form adjoint solution that eliminates backward adjoint simulation. On standard text-to-image reward fine-tuning benchmarks, EAM converges up to 4x faster than AM and matches or surpasses it across various metrics including PickScore, ImageReward, HPSv2.1, CLIPScore and Aesthetics.
Authors: Hongmin Li
Abstract: Fixed reasoning benchmarks evaluate canonical prompts, but semantically valid changes in presentation can still change model behavior. Studies of prompt variation can reveal such failures, but without audit they can mix genuine model errors with invalid perturbations, extraction artifacts, and unmatched search procedures. We propose an audit-constrained protocol for targeted reasoning evaluation. Prompt variants are generated from a finite component grammar, rendered deterministically, evaluated under a fixed query budget, and counted as model errors only after semantic and extraction audit. Within this protocol we instantiate Component-Adaptive Prompt Sampling (CAPS), a score-based sampler over prompt components, and compare it with equal-budget uniform component sampling under the same task bank, renderer, model interface, decoding settings, and audit procedure. Across three audited slices, the protocol identifies confirmed model-error prompt keys while excluding formatting and extraction artifacts, but matched comparisons do not show that CAPS improves audited yield or unique prompt-key discovery over uniform sampling. The contribution is methodological: targeted prompt variation can be studied under a reconstructable, reviewable, budget-matched protocol, and proxy-guided policies should be judged by audited yield rather than raw mismatch counts or selected examples alone.
Authors: Phu-Hoa Pham, Chi-Nguyen Tran, Nguyen Lam Phu Quy, Dao Sy Duy Minh, Huynh Trung Kiet, Long Tran-Thanh
Abstract: Streaming decision trees are natural candidates for open-world continual learning, as they perform local updates, enjoy bounded memory, and static decision boundaries. Despite these, they still fail in online class-incremental learning due to two coupled miscalibrations: (i) their split criterion grows unreliable as the class count K expands, and (ii) the absence of knowledge transfer at split time. Both failures share a common root: the range of Information Gain intrinsically scales with log2 K. Consequently, any Hoeffding-style confidence radius derived from it must inevitably grow with the class count, making a K-independent split criterion structurally impossible, taking away the potential benefits of applying streaming decision trees to continual learning. To fix this issue, we present MIST (McDiarmid Incremental Streaming Tree), which resolves both failures through three integrated components: (i) a tight, K-independent McDiarmid confidence radius for Gini splitting that acts as a structural regulariser; (ii) a Bayesian inheritance protocol that projects parent statistics to child nodes via truncated-Gaussian moments, with variance reduction guarantees strongest precisely when splitting is most conservative; and (iii) per-leaf KLL quantile sketches that support both continuous threshold evaluation and geometry-adaptive leaf prediction from a single data structure. On standard and stress-test tabular streams, MIST is competitive with global parametric methods on near-Gaussian benchmarks and uniquely robust on non-Gaussian geometry where SOTA benchmarks collapse.
Authors: Phu-Quy Nguyen-Lam, Phu-Hoa Pham, Dao Sy Duy Minh, Chi-Nguyen Tran, Huynh Trung Kiet, Long Tran-Thanh
Abstract: Object-centric representations promise a key property for few-shot learning: Rather than treating a scene as a single unit, a model can decompose it into individual object-level parts that can be matched and compared across different concepts. In practice, this potential is rarely realized. Continual learners either collapse scenes into global embeddings, or train with part-level matching objectives that tie representations too closely to seen patterns, leaving them unable to generalize to truly novel concepts. In this paper, we identify this fundamental structural conflict and pioneer a new paradigm that strictly decouples representation learning from compositional inference. Leveraging the inherent patch-level semantic geometry of self-supervised Vision Transformers (ViTs), our framework employs a dual-phase strategy. During training, slot representations are optimized entirely toward holistic class identity, preserving highly generalizable, object-level geometries. At inference, preserved slots are dynamically composed to match novel scenes. We demonstrate that this paradigm offers dual structural benefits: The frozen backbone naturally prevents representation drift, while our lightweight, holistic optimization preserves the features' capacity for novel-concept transfer. Extensive experiments validate this approach, achieving state-of-the-art unseen-concept generalization and minimal forgetting across standard continual learning benchmarks.
Authors: Lars Uebbing, Harald L. Joakimsen, Siyan Chen, Georgios Leontidis, Kristoffer K. Wickstr{\o}m, Michael C. Kampffmeyer, S\'ebastien Lef\`evre, Arnt-B{\o}rre Salberg, Robert Jenssen
Abstract: Most dimensionality reduction methods treat data as discrete point clouds, ignoring the continuous domain structure inherent to many real-world processes. To bridge this gap, we introduce Neural Operator Function Embedding (NOFE), a domain-aware framework for continuous dimensionality reduction. NOFE learns function-to-function mappings via a Graph Kernel Operator, enabling mesh-free evaluation at arbitrary query locations independent of input discretization. We establish NOFE as approximation of sheaf-to-sheaf mappings, generalizing Sheaf Neural Networks to continuous domains. We evaluate NOFE across different datasets, comparing it against PCA, t-SNE, and UMAP. Our results demonstrate that NOFE significantly outperforms baselines in local structure preservation, achieving a local Stress of 0.111 compared to 0.398 for PCA, 0.773 for t-SNE, and 0.791 for UMAP for the ERA5 climate reanalysis dataset. NOFE also exhibits robust sampling independence, reducing the Patch Stitching Error by up to $20.0\times$ relative to UMAP (59.0 vs. 267.6 under regional normalization) and ensuring consistency across disjoint domain patches. While maintaining competitive global structure preservation (Stress-1: 0.379 vs. PCA's 0.268), NOFE resolves fine-grained structures and produces smooth, consistent embeddings that generalize across varying sample densities, addressing key limitations of discrete reduction methods.
Authors: Jingduo Pan, Taoran Wu, Yiling Xue, Bai Xue
Abstract: We study stochastic minimum-cost reach-avoid reinforcement learning, where an agent must satisfy a reach-avoid specification with probability at least $p$ while minimizing expected cumulative costs in stochastic environments. Existing safe and constrained reinforcement learning methods typically fail to jointly enforce probabilistic reach-avoid constraints and optimize cost in the learning setting in stochastic environments. To address this challenge, we introduce reach-avoid probability certificates (RAPCs), which identify states from which stochastic reach-avoid constraints are satisfiable. Building on RAPCs, we develop a contraction-based Bellman formulation that serves as a principled surrogate for integrating reach-avoid considerations into reinforcement learning, enabling cost optimization under probabilistic constraints. We establish almost sure convergence of the proposed algorithms to locally optimal policies with respect to the resulting objective. Experiments in the MuJoCo simulator demonstrate improved cost performance and consistently higher reach-avoid satisfaction rates.
Authors: Ziyad Sheebaelhamd, Luca Viano, Volkan Cevher, Claire Vernade
Abstract: This work investigates multi-objective imitation learning: the problem of recovering policies that lie on the Pareto front given demonstrations from multiple Pareto-optimal experts in a Multi-Objective Markov Decision Process (MOMDP). Standard imitation approaches are ill-equipped for this regime, as naively aggregating conflicting expert trajectories can result in dominated policies. To address this, we introduce Multi-Output Augmented Behavioral Cloning (MA-BC), an algorithm that systematically partitions divergent expert data while pooling state-action pairs where no behavior conflict is observed. Theoretically, we prove that MA-BC converges to Pareto-optimal policies at a faster statistical rate than any learner that considers each expert dataset independently. Furthermore, we establish a novel lower bound for multi-objective imitation learning, demonstrating that MA-BC is minimax optimal. Finally, we empirically validate our algorithm across diverse discrete environments and, guided by our theoretical insights, extend and evaluate MA-BC on a continuous Linear Quadratic Regulator (LQR) control task.
Authors: Zhong Guan, Yongjian Guo, Haoran Sun, Wen Huang, Shuai Di, Likang Wu, Xiong Jun Wu, Hongke Zhao
Abstract: Asynchronous reinforcement learning improves rollout throughput for large language model agents by decoupling sample generation from policy optimization, but it also introduces a critical failure mode for PPO-style off-policy correction. In heterogeneous training systems, the total importance ratio should ideally be decomposed into two semantically distinct factors: a \emph{training--inference discrepancy term} that aligns inference-side and training-side distributions at the same behavior-policy version, and a \emph{policy-staleness term} that constrains the update from the historical policy to the current policy. We show that practical asynchronous pipelines with delayed updates and partial rollouts often lose the required historical training-side logits, or old logits. This missing-old-logit problem entangles discrepancy repair with staleness correction, breaks the intended semantics of decoupled correction, and makes clipping and masking thresholds interact undesirably. To address this issue, we study both exact and approximate correction routes. We propose three exact old-logit acquisition strategies: snapshot-based version tracking, a dedicated old-logit model, and synchronization via partial rollout interruption, and compare their system trade-offs. From the perspective of approximate correction, we focus on preserving the benefits of decoupled correction through a more appropriate approximate policy when exact old logits cannot be recovered at low cost, without incurring extra system overhead. Following this analysis, we adopt a revised PPO-EWMA method, which achieves significant gains in both training speed and optimization performance.
Authors: Vin\'icius Conte Turani, Ot\'avio Parraga, Jo\~ao Vitor Boer Abitante, Kristen K. Arguello, Joana Pasquali, Ramiro N. Barros, Flavio du Pin Calmon, Christian Mattjie, Rodrigo C. Barros, Lucas S. Kupssinsk\"u
Abstract: Large Language Models memorize vast amounts of training data, raising concerns regarding privacy, copyright infringement, and safety. Machine unlearning seeks to remove the influence of a targeted forget set while preserving model performance, ideally approximating a model retrained from scratch without the forget set. Existing approaches aim to achieve this by updating model parameters via gradient-based methods. However, these updates are computationally expensive, lead to irreversible weight changes, and degrade when the model is quantized for deployment. A recent alternative to changing model weights is activation engineering, where activations are changed during inference to steer model behavior. Despite circumventing weight editing, naive activation steering introduces its own failure modes, as a single global steering vector applies the same intervention to every input, leading to unintended changes in model behavior. We introduce Inference-Time Unlearning via Gated Activation Redirection (GUARD-IT), a training- and gradient-free method that unlearns via input-dependent activation steering at inference time. The resulting intervention is applied as a norm-preserving rotation in the residual stream, leaving model weights untouched. Experiments on TOFU and MUSE show that GUARD-IT matches or exceeds 12 gradient-based baselines across three model scales, while being the only method to simultaneously preserve utility, suppress memorization, and avoid catastrophic collapse across all settings. GUARD-IT further supports continual unlearning without retraining, and remains effective under quantization, a scenario in which parameter-editing methods degrade.
Authors: Jack Young
Abstract: We introduce WriteSAE, the first sparse autoencoder that decomposes and edits the matrix cache write of state-space and hybrid recurrent language models, where residual SAEs cannot reach. Existing SAEs read residual streams, but Gated DeltaNet, Mamba-2, and RWKV-7 write to a $d_k \times d_v$ cache through rank-1 updates $k_t v_t^\top$ that no vector atom can replace. WriteSAE factors each decoder atom into the native write shape, exposes a closed form for the per-token logit shift, and trains under matched Frobenius norm so atoms swap one cache slot at a time. Atom substitution beats matched-norm ablation on 92.4% of $n=4{,}851$ firings at Qwen3.5-0.8B L9 H4, the 87-atom population test holds at 89.8%, the closed form predicts measured effects at $R^2=0.98$, and Mamba-2-370M substitutes at 88.1% over 2,500 firings. Sustained three-position installs at $3\times$ lift midrank target-in-continuation from 33.3% to 100% under greedy decoding, the first behavioral install at the matrix-recurrent write site.
Authors: Chien Van Nguyen, Chaitra Hegde, Van Cuong Pham, Ryan A. Rossi, Franck Dernoncourt, Thien Huu Nguyen
Abstract: We introduce Orthrus, a simple and efficient dual-architecture framework that unifies the exact generation fidelity of autoregressive Large Language Models (LLMs) with the high-speed parallel token generation of diffusion models. The sequential nature of standard autoregressive decoding represents a fundamental bottleneck for high-throughput inference. While diffusion language models attempt to break this barrier via parallel generation, they suffer from significant performance degradation, high training costs, and a lack of rigorous convergence guarantees. Orthrus resolves this dichotomy natively. Designed to seamlessly integrate into existing Transformers, the framework augments a frozen LLM with a lightweight, trainable module to create a parallel diffusion view alongside the standard autoregressive view. In this unified system, both views attend to the exact same high-fidelity Key-Value (KV) cache; the autoregressive head executes context pre-filling to construct accurate KV representations, while the diffusion head executes parallel generation. By employing an exact consensus mechanism between the two views, Orthrus guarantees lossless inference, delivering up to a 7.8x speedup with only an O(1) memory cache overhead and minimal parameter additions.
Authors: Feng Zhang, Xinhong Ma, Ziqiang Dong, Xi Leng, Jianfei Zhao, Xin Sun, Yang Yang, Guanjun Jiang
Abstract: RLVR has become a widely adopted paradigm for improving LLMs' reasoning capabilities, and GRPO is one of its most representative algorithms. In this paper, we first show that GRPO admits an equivalent discriminative reformulation as a weighted positive-negative score difference. Under this view, GRPO increases sequence-level scores of verified positive rollouts and decreases those of negative rollouts, where the scores are averages of clipped token-level importance sampling ratios. This reformulation reveals two structural limitations of GRPO: likelihood-misaligned scoring, where clipped ratio-based surrogate scores are optimized instead of generation likelihoods, and score-insensitive credit assignment, where rollout-level credit is assigned without accounting for relative score gaps between positive and negative rollouts in the same group. To address these limitations, we propose ConSPO, a framework for Contrastive Sequence-level Policy Optimization in RLVR. ConSPO replaces GRPO's clipped ratio-based scores with length-normalized sequence log-probabilities, aligning the optimized rollout scores with the likelihoods used in autoregressive generation. It then optimizes a group-wise InfoNCE-style objective that contrasts each positive rollout against negative distractors from the same group, enabling credit assignment to depend on their relative scores. This contrastive formulation amplifies updates for poorly separated positives while concentrating suppressive updates on high-scoring negatives. Moreover, ConSPO introduces a curriculum-scheduled margin, guiding optimization from coarse positive-negative ordering in early training toward stronger separation in later stages. Extensive evaluations across diverse backbone models, parameter scales, and training datasets show that ConSPO consistently outperforms several strong RLVR baselines on challenging mathematical reasoning benchmarks.
Authors: Adarsh Kumarappan, Ananya Mujoo
Abstract: LLM-based multi-agent pipelines flip from correct to incorrect answers under simulated peer disagreement at rates we term yield, a vulnerability widely attributed to RLHF-induced sycophancy. We test this attribution across four model families and find it largely wrong: pretrained base models exhibit the same substitution pattern as their Instruct variants, averaging higher yield than Instruct. Using activation patching, we localize the corruption to a narrow mid-layer window where attention carries the causal weight and MLP contribution is negligible; patching above this window restores 96% of the clean-to-pressured P(correct) gap. The attack surface decomposes into two independent factors (channel framing and consensus strength) whose interaction produces a 47.5 percentage-point yield gap at majority consensus, preserved across jury sizes $N \in \{4, 5, 6\}$. Two converging activation-space interventions show that pressure suppresses clean-reasoning features rather than activating a new sycophancy circuit. A single correctly-arguing dissenter reduces yield by 54-73 percentage points across all framings tested, whereas the strongest prompt-level defense fails on attack variants outside its design surface. Mitigations should target the mechanism, structured dissent at the pipeline level, rather than prompt-level defenses.
Authors: Sibo Jia, Zihang Zhao, Kunrong Li
Abstract: Industrial visual inspection systems increasingly rely on deep classifiers whose heatmap explanations may appear visually plausible while failing to identify the image regions that actually drive model decisions. This paper operationalizes an architecture-aware explanation audit protocol grounded in the native-readout hypothesis: the perturbation-based faithfulness of an explanation method is bounded by its structural distance from the model's native decision mechanism. On WM-811K wafer maps (9 classes, 172k images) under a three-seed zero-fill perturbation protocol, ViT-Tiny + Attention Rollout attains Deletion AUC 0.211 against 0.432-0.525 for Swin-Tiny / ResNet18+CBAM / DenseNet121 + Grad-CAM (abs(Cohen's d) > 1.1), despite lower classification accuracy. Swin-Tiny disentangles architecture family from readout structure: despite being a Transformer, its spatial feature-map hierarchy makes it Grad-CAM compatible, showing that the operative factor is readout structure rather than architecture family. A model-agnostic control (RISE) compresses all families to Deletion AUC about 0.1, indicating the gap arises from the explainer pathway; notably, RISE outperforms all native methods, so native readout is a compatibility principle rather than an optimality guarantee. A blur-fill sensitivity analysis shows that the family ordering reverses under a different perturbation baseline, reinforcing that faithfulness rankings are joint properties of (model, explainer, perturbation operator) triples. An exploratory boundary-condition study on MVTec AD (pretrained models) indicates that audit results are dataset/task dependent and identifies conditions requiring qualification. The protocol yields actionable guidance: explanation pathways should be co-designed with model architectures based on readout structure, and deployed heatmaps should be accompanied by quantitative faithfulness metrics.
Authors: Libo Sun, Po-wei Harn, Peixiong He, Xiao Qin
Abstract: KV-cache compression at small budgets is a crowded design space spanning cache representation, head-wise routing, compression cadence, decoding behavior, and within-budget scoring. We study seven mechanisms across these five families under matched mean cache on long-form mathematical reasoning (MATH-500~\cite{hendrycks2021math}) with two distilled-reasoning models (Qwen-7B and Llama-8B variants of DeepSeek-R1-Distill~\cite{deepseek2025r1}) at budgets $b \in \{64, 128\}$. All seven were rejected. We then propose $\alpha$, a one-function modification to the TriAttention~\cite{mao2026triattention} retention scorer that replaces argmax-top-$k$ with greedy facility-location-inspired selection under a V-space redundancy penalty controlled by a single weight $\lambda$. A pre-registered protocol tunes $\lambda$ on a frozen development split and confirms on a disjoint held-out split; with $\lambda = 0.5$, $\alpha$ clears Bonferroni on two of the four (model, budget) cells (Qwen $b{=}128$ and Llama $b{=}64$), no cell is significantly negative, and the pre-registered Branch~A triggers. The finding is asymmetric: a minimal scoring modification beat heavier structural redesigns in this regime, and the combined matched-memory, sympy-graded, held-out confirmation protocol is the evidence standard that made the asymmetry visible.
Authors: Jessica Rumbelow
Abstract: We introduce Exemplar Partitioning (EP), an unsupervised method for constructing interpretable feature dictionaries from large language model activations with $\sim 10^3\times$ fewer tokens than comparable sparse autoencoders (SAEs). An EP dictionary is a Voronoi partition of activation space, built by leader-clustering streamed activations within a distance threshold. Each region is anchored by an observed exemplar that serves as both its membership criterion and intervention direction; dictionary size is not prespecified, but determined by the activation geometry at that threshold. Because exemplars are observed rather than learned, dictionaries built from the same data stream are directly comparable across layers, models, and training checkpoints. We characterise EP as an interpretability object via targeted demonstrations of properties newly accessible through this construction, plus one head-to-head benchmark. In Gemma-2-2B, EP dictionary regions are interpretable and support causal interventions: refusal in instruction-tuned Gemma concentrates in a region whose exemplar ablation can collapse held-out refusal. Cross-checkpoint matching between base and instruction-tuned dictionaries separates the directions preserved through finetuning from those introduced by it. EP regions and Gemma Scope SAE features decompose activation space differently but agree on a shared core: $\sim$20% of EP regions match an SAE feature at $F_1 > 0.5$, and EP one-hot probes retain $\sim$97% of raw-activation probe accuracy at $\ell_0 = 1$. Nearest-exemplar distance provides a free out-of-distribution signal at inference. On AxBench latent concept detection at Gemma-2-2B-it L20, EP at $p_1$ reaches mean AUROC 0.881, +0.126 over the canonical GemmaScope SAE leaderboard entry and within 0.030 of SAE-A's 0.911, at $\sim 10^3\times$ less build compute.
Authors: Qazi Mamunur Rashid, Xuan Yang, Zhengzhe Yang, Yanzhou Pan, Erin van Liemt, Darlene Neal, Kshitij Pancholi, Jamila Smith-Loud
Abstract: Recent advancements in generative AI facilitate large-scale synthetic data generation for model evaluation. However, without targeted approaches, these datasets often lack the sociotechnical nuance required for sensitive domains. We introduce NodeSynth, an evidence-grounded methodology that generates socially relevant synthetic queries by leveraging a fine-tuned taxonomy generator (TaG) anchored in real-world evidence. Evaluated against four mainstream LLMs (e.g., Claude 4.5 Haiku), NodeSynth elicited failure rates up to five times higher than human-authored benchmarks. Ablation studies confirm that our granular taxonomic expansion significantly drives these failure rates, while independent validation reveals critical deficiencies in prominent guard models (e.g., Llama-Guard-3). We open-source our end-to-end research prototype and datasets to enable scalable, high-stakes model evaluation and targeted safety interventions (https://github.com/google-research/nodesynth).
Authors: Sohaib Afifi
Abstract: A common critique of neural combinatorial-optimization solvers is that they are less energy-efficient than CPU metaheuristics, given the operational energy cost of training them on GPUs. This paper examines the inferential step from "training is expensive" to "neural solvers are net-inefficient", which is where the critique actually goes wrong. Training the network costs a large fixed amount of GPU energy; running the metaheuristic costs a small amount of CPU energy on every instance, repeated as long as the solver is deployed. The two are not commensurable until a deployment volume is fixed. We define the Amortized Efficiency Threshold (AET) as the deployment volume above which a neural solver breaks even with a heuristic baseline in total energy or carbon, under an explicit constraint on solution quality. We show that the cumulative-energy ratio between the two solvers tends to a constant strictly below one whenever the network wins per instance, and that this limit does not depend on how the training cost was measured. An embodied-carbon term amortizes hardware fabrication symmetrically on both sides. We instantiate the framework on the CVRP environment at n=50 customers with the attention-based autoregressive solver of Kool et al. (2019), trained for 100 epochs on 20,000 instances over five random seeds, and HGS via PyVRP as the heuristic baseline. The measured operational crossover sits near 4.56e3 deployed instances at the median of a six-point baseline-budget sweep; the per-instance neural-to-heuristic ratio is 2.29e-3. The contribution is the framework, the open instrumentation, and the end-to-end measurement protocol. Code and benchmark pipeline are available at https://github.com/sohaibafifi/aet.
Authors: Ceyu Xu, Jiangnan Yu, Yongji Wu, Yuan Xie
Abstract: The quadratic complexity of attention imposes severe memory and computational bottlenecks on Large Language Model (LLM) inference. This challenge is particularly acute for emerging agentic applications that require processing multi-million token sequences. We propose STS, a sparse attention mechanism that requires no model retraining. STS leverages the key insight that tokens identified as important by a smaller draft model are highly predictive of important tokens for a larger target model. By integrating into speculative decoding frameworks, STS repurposes the draft model's attention scores to dynamically construct a token-and-head-wise sparsity mask. This mask effectively prunes the expensive attention computation in the target LLM. Our evaluation shows that STS achieves a 2.67x speedup operating at approximately 90% sparsity on representative benchmark NarrativeQA, maintaining negligible accuracy degradation compared to dense attention. STS establishes a new state-of-the-art on the sparsity-accuracy trade-off, outperforming prior techniques by enabling higher sparsity levels for a given accuracy budget.
Authors: Tan-Ha Mai, Chao-Kai Chiang, Han-Hwa Shih, Gang Niu, Masashi Sugiyama, Hsuan-Tien Lin
Abstract: Complementary-label learning (CLL) is a weakly supervised paradigm where instances are labeled with classes they do not belong to. Despite a decade of research, CLL methods remain competitive mainly on 10-class classification, with scaling to large label spaces continuing to be an enduring bottleneck. This limitation stems from the common assumption of uniform label generation in traditional methods, which fatally dilutes the learning signal in many-class settings. In this paper, we demonstrate that this long-standing barrier can be overcome by deliberately designing a biased (non-uniform) generation process that restricts complementary labels to a subset of classes. This finding motivates us to propose Bias-Induced Constrained Labeling (BICL), a principled framework spanning data collection to training that leverages this bias. BICL enables effective learning on CIFAR-100 and TinyImageNet-200, achieving more than sevenfold accuracy improvements over traditional methods. Our findings establish a new trajectory for making CLL feasible for many classes in real-world applications.
Authors: Sijia Liu, Yicheng Lang, Soumyadeep Pal, Changsheng Wang, Yancheng Huang, Chongyu Fan, James Diffenderfer, Bhavya Kailkhura, Yihua Zhang
Abstract: Zeroth-order (ZO) optimization, learning from finite differences of function evaluations without backpropagation, has recently regained attention in deep learning due to its memory efficiency and applicability to gray- or black-box pipelines. Yet, ZO methods are often dismissed as fundamentally unscalable because of estimator variance and unfavorable query complexity. We argue that this conclusion might be misguided: ZO optimization is underexplored, not underpowered. We show that many perceived limitations stem from myopic development practices, most notably full-space, element-wise, estimator-centric designs. We articulate six positions spanning the algorithmic, systems, and evaluation stack. First, we revisit the feasibility boundaries of estimator-centric ZO methods through variance control, variance-query tradeoffs, and directional-derivative lenses. Then, we identify three underexplored opportunities: (i) subspace and spectral views of ZO that enable interpretable variance reduction with graceful query scaling, (ii) the forward-only nature of ZO as a systems advantage for communication-efficient, pipeline-friendly, and resource-constrained training, and (iii) the need to de-obfuscate ZO evaluations from task complexity. We strongly advocate rethinking ZO optimization around its unique strengths and acting accordingly, opening a viable path toward large-scale, system-aware, and resource-efficient learning with ZO optimization.
Authors: Alexander Gr\"afe, Ding Huo, Vincent de Bakker, Johannes Berger, Marco Zimmerling, Sebastian Trimpe
Abstract: Transformer models are rapidly becoming a cornerstone of modern Internet of Things (IoT) applications, yet their computational and memory demands far exceed the capabilities of a single typical ultra-low-power IoT device. We present CATS, a framework for distributed transformer inference on ultra-low-power wireless devices, enabling multiple devices to collaboratively execute models far larger than what a single device can sustain. At its core, CATS is a communication-aware distributed transformer inference scheme co-designed across transformer partitioning, wireless communication and training. It employs SomeGather, a new pruned communication primitive that selectively broadcasts activation columns to reduce communication bandwidth and RAM usage without sacrificing model accuracy. Building on SomeGather, we design a partitioning method that exploits this primitive for efficient model parallelism. To cope with unreliable wireless communication, CATS employs message-dropout during training, which mimics packet losses and yields models that are robust to message loss during inference. In real-world experiments, we show that CATS brings distributed transformer inference to ultra-low-power wireless devices for the first time, with deployments on up to 16 devices that collaboratively execute transformer models up to 14 times larger than what a single device can run.
Authors: Gabriel Garcia
Abstract: When researchers ask whether two transformer layers are "equivalent" for compression, they often conflate distinct tests. Replacement asks whether one layer's map can substitute for another's in place; interchange asks whether two layers approximately commute when their positions are swapped. Both are output-grounded swap-KL probes, but they need not agree: on pretrained transformers the protocol gap can change which layers look safe to prune by several-fold under the same evaluator, especially when replacement distances are high. We measure both protocols across checkpoints and architectures. On a Pythia training trajectory (410M and 1.4B), the replacement-interchange gap grows from initialization to convergence. Under one matched WikiText-2 contract at 8B scale, Qwen3-8B enters a divergent regime: interchange-guided removal is several-fold safer than replacement-guided at the same layer budgets, while Llama-3.1-8B ties the two protocols for pruning cost even though interchange KL is lower, showing metric gaps need not map one-to-one to removal. Before layer removal or merging, score both swap-KLs on the target checkpoint; the diagnostic requires only unlabeled forward passes.
Authors: Viacheslav Borovitskiy, Iskander Azangulov, Alexander Terenin, Peter Mostowsky, Marc Peter Deisenroth, Nicolas Durrande
Abstract: Gaussian processes are a versatile framework for learning unknown functions in a manner that permits one to utilize prior information about their properties. Although many different Gaussian process models are readily available when the input space is Euclidean, the choice is much more limited for Gaussian processes whose input space is an undirected graph. In this work, we leverage the stochastic partial differential equation characterization of Mat\'ern Gaussian processes - a widely-used model class in the Euclidean setting - to study their analog for undirected graphs. We show that the resulting Gaussian processes inherit various attractive properties of their Euclidean and Riemannian analogs and provide techniques that allow them to be trained using standard methods, such as inducing points. This enables graph Mat\'ern Gaussian processes to be employed in mini-batch and non-conjugate settings, thereby making them more accessible to practitioners and easier to deploy within larger learning frameworks.
Authors: Yi Ding, Aijia Gao, Thibaud Ryden, Michal Sedlak, Essam Ewaisha, Igor Marnat, Henry Hoffmann
Abstract: Software upgrades are critical to maintaining server reliability in datacenters. While job duration prediction and scheduling have been extensively studied, the unique challenges posed by software upgrades remain largely under-explored. This paper presents the first in-depth investigation into software upgrade scheduling at datacenter scale. We begin by characterizing various types of upgrades and then frame the scheduling task as a constrained optimization problem. To address this problem, we introduce Acela, a cost-aware duration prediction framework designed to improve upgrade scheduling efficiency and throughput while meeting service-level objectives (SLOs). Acela accounts for asymmetric misprediction costs, strategically selects the best predictive models, and mitigates straggler-induced overestimations. Evaluations on Meta's production datacenter systems demonstrate that Acela significantly increases efficiency of the existing upgrade scheduler by improving upgrade window utilization by 1.25X, increasing the number of scheduled and completed upgrades by 33% and 41%, and reducing cancellation rates by 2.4X. The code and data sets will be released after paper acceptance.
Authors: Tamer Abdelaziz, Aquinas Hobor
Abstract: We introduce the Deep Learning Vulnerability Analyzer (DLVA) for Ethereum smart contracts based on neural networks. We train DLVA to judge bytecode even though the supervising oracle can only judge source. DLVA's training algorithm is general: we extend a source code analysis to bytecode without any manual feature engineering, predefined patterns, or expert rules. DLVA's training algorithm is also robust: it overcame a 1.25% error rate mislabeled contracts, and--the student surpassing the teacher--found vulnerable contracts that Slither mislabeled. DLVA is much faster than other smart contract vulnerability detectors: DLVA checks contracts for 29 vulnerabilities in 0.2 seconds, a 10-1,000x speedup. DLVA has three key components. First, Smart Contract to Vector (SC2V) uses neural networks to map smart contract bytecode to a high-dimensional floating-point vector. We benchmark SC2V against 4 state-of-the-art graph neural networks and show that it improves model differentiation by 2.2%. Second, Sibling Detector (SD) classifies contracts when a target contract's vector is Euclidian-close to a labeled contract's vector in a training set; although only able to judge 55.7% of the contracts in our test set, it has a Slither-predictive accuracy of 97.4% with a false positive rate of only 0.1%. Third, Core Classifier (CC) uses neural networks to infer vulnerable contracts regardless of vector distance. We benchmark DLVA's CC with 10 ML techniques and show that the CC improves accuracy by 11.3%. Overall, DLVA predicts Slither's labels with an overall accuracy of 92.7% and associated false positive rate of 7.2%. Lastly, we benchmark DLVA against nine well-known smart contract analysis tools. Despite using much less analysis time, DLVA completed every query, leading the pack with an average accuracy of 99.7%, pleasingly balancing high true positive rates with low false positive rates.
Authors: Negin Golrezaei, Patrick Jaillet, Zijie Zhou
Abstract: Decision-makers often have access to machine-learned predictions about future demand that can help guide online resource allocation decisions. However, such predictions may be inaccurate. We develop a framework for online resource allocation with potentially unreliable machine-learned advice, where the advice is represented as a convex uncertainty set for the demand vector rather than a single point estimate. We introduce a parameterized class of Pareto-optimal online algorithms that balance consistency and robustness. The consistent ratio measures performance when the advice is accurate, while the robust ratio measures performance under adversarial demand when the advice is inaccurate. For a target consistency level C, our algorithms maximize robustness subject to achieving at least consistency level C. Our approach extends classical protection-level algorithms by introducing adaptive protection levels that dynamically respond to uncertainty in the advice. We also provide a method for computing the maximum achievable consistency level. Numerical experiments demonstrate that our algorithms outperform benchmark methods, including approaches based solely on point forecasts, by effectively balancing worst-case and average-case performance.
Authors: Mert Kayaalp, Ali H. Sayed
Abstract: This paper investigates causal influences between agents linked by a social graph and interacting over time. In particular, the work examines the dynamics of social learning models and distributed decision-making protocols, and derives expressions that reveal the causal relations between pairs of agents and explain the flow of influence over the network. The results turn out to be dependent on the graph topology and the level of information that each agent has about the inference problem they are trying to solve. Using these conclusions, the paper proposes an algorithm to rank the overall influence between agents to discover highly influential agents. It also provides a method to learn the necessary model parameters from raw observational data. The results and the proposed algorithm are illustrated by considering both synthetic data and real social media data.
Authors: Yu Wei, Yun Lu, Malik Magdon-Ismail, Vassilis Zikas
Abstract: We investigate the privacy of {\em any} algorithm whose outputs have Gaussian distribution. This work is motivated by the prevalence of such algorithms in several useful (ML) applications, and the comparatively little research that focuses on privacy-preserving learning outside of adding Gaussian noise to the data (such as DP-SGD). {\em What is the DP of any algorithm with multivariate Gaussian output?} We answer the above research question with a general lemma which we call {\em Normal Distributions Indistinguishability Spectrum} (NDIS), a closed-form analytic computation of the hockey-stick divergence $\delta$ between an arbitrary pair of multivariate Gaussians, parameterized by privacy parameter $\epsilon$. To show its practical implications, we prove several properties of our NDIS lemma. These properties form a {\em toolbox} of results which lead to potentially {\em easier} privacy proofs for any Gaussian-output algorithm. As an example application of our toolbox, we prove a tighter parametrisation of the privacy of {\em random projection (RP)}, and obtaining from it a more noise-frugal DP mechanism. Beyond random projection, NDIS can be used to lift {\em any} Gaussian-output algorithm with a `sensitivity' (which we define) to a Gaussian-output DP mechanism. The mechanism boosts the existing randomness in the algorithm, so that one can describe the mechanism's privacy as the IS between a single pair of Gaussians, which can then be analyzed via NDIS. Lastly, we leverage the connections between NDIS and the CDF of the generalized $\chi^2$ distribution (which have efficient empirical estimators) to present a tool for white-box auditing of Gaussian-output algorithms.
Authors: Vedanth Ramanathan, Krish Mahadevan, Sejal Dua
Abstract: Distributed Denial of Service (DDoS) attacks remain a persistent threat to the availability of Internet services, edge networks, and cyber-physical infrastructure. Although recent AI-security work has increasingly focused on foundation models, autonomous agents, and adversarial robustness, many operational defense tasks still require low-latency classification close to the network edge, where cloud-scale analysis may be too slow or expensive. This paper presents a lightweight supervised deep learning approach for DDoS detection using a convolutional neural network (CNN) trained on packet-flow representations derived from the CIC-DDoS2019 benchmark dataset. The proposed pipeline extracts packet flows from PCAP traffic, normalizes them to fixed-length representations, and classifies each flow as benign or malicious using a compact CNN architecture with convolution, dropout, pooling, and sigmoid classification layers. On a held-out test set of previously unseen flows, the model achieves 0.9883 accuracy, 0.9864 precision, 0.9784 recall, and 0.9824 F1 score, while processing the evaluated test flows in 0.28 seconds. These results suggest that compact neural models can provide useful early-warning signals for edge-oriented DDoS detection. We further discuss deployment constraints, benchmark limitations, and future directions for cross-dataset evaluation, hardware-aware profiling, and integration with mitigation pipelines.
Authors: Hubert Wagner, Nickolas Arustamyan, Matthew Wheeler, Peter Bubenik
Abstract: We combine standard persistent homology with image persistent homology to define a novel way of characterizing shapes and interactions between them. In particular, we introduce: (1) a mixup barcode, which captures geometric-topological interactions (mixup) between two point sets in arbitrary dimension; (2) simple summary statistics, total mixup and total percentage mixup, which quantify the complexity of the interactions as a single number; (3) a software tool for playing with the above. As a proof of concept, we apply this tool to a problem arising from machine learning. In particular, we study the disentanglement in embeddings of different classes. The results suggest that topological mixup is a useful method for characterizing interactions for low and high-dimensional data. Compared to the typical usage of persistent homology, the new tool is sensitive to the geometric locations of the topological features, which is often desirable.
Authors: Junyu Zhou, Puyu Wang, Ding-Xuan Zhou
Abstract: While metric and similarity learning has been extensively studied from several theoretical perspectives, a rigorous understanding of its generalization performance is still lacking. In this paper, we investigate the generalization behavior of metric and similarity learning by exploiting the specific structure of the true metric (i.e., the target function). In particular, by deriving the explicit form of the true metric for metric and similarity learning with the hinge loss, we construct a structured deep ReLU neural network as an approximation of the true metric, whose approximation ability depends on the network complexity. Here, the network complexity is characterized by the network depth, the number of nonzero weights, and the number of computational units. Based on the hypothesis space consisting of such structured deep ReLU networks, we establish excess risk bounds for metric and similarity learning by carefully controlling both the approximation error and the estimation error. An explicit excess risk rate is derived by choosing the proper capacity of the constructed hypothesis space. To the best of our knowledge, this is the first generalization analysis that provides explicit excess risk bounds for metric and similarity learning. In addition, we investigate properties of the true metric for metric and similarity learning under more general loss functions. Experiments show that the proposed model is empirically competitive and better captures the underlying similarity structure.
Authors: Wa\"iss Azizian, Franck Iutzeler, J\'er\^ome Malick, Panayotis Mertikopoulos
Abstract: In this paper, we examine the long-run distribution of stochastic gradient descent (SGD) in general, non-convex problems. Specifically, we seek to understand which regions of the problem's state space are more likely to be visited by SGD, and by how much. Using an approach based on the theory of large deviations and randomly perturbed dynamical systems, we show that the long-run distribution of SGD resembles the Boltzmann-Gibbs distribution of equilibrium thermodynamics with temperature equal to the method's step-size and energy levels determined by the problem's objective and the statistics of the noise. In particular, we show that, in the long run, (a) the problem's critical region is visited exponentially more often than any non-critical region; (b) the iterates of SGD are exponentially concentrated around the problem's minimum energy state (which does not always coincide with the global minimum of the objective); (c) all other connected components of critical points are visited with frequency that is exponentially proportional to their energy level; and, finally (d) any component of local maximizers or saddle points is "dominated" by a component of local minimizers which is visited exponentially more often.
Authors: Xuan Zhang, Fengzhuo Zhang, Cunxiao Du, Chao Du, Tianyu Pang, Wei Gao, Min Lin
Abstract: Scaling language models to handle longer contexts introduces substantial memory challenges due to the growing cost of key-value (KV) caches. Motivated by the efficiency gains of hybrid models and the broad availability of pretrained large transformer backbones, we explore transitioning transformer models into hybrid architectures for a more efficient generation. In this work, we propose LightTransfer, a lightweight method that transforms models such as LLaMA into hybrid variants. Our approach identifies lazy layers -- those focusing on recent or initial tokens -- and replaces their full attention with streaming attention. This transformation can be performed without any training for long-context understanding tasks or with minimal fine-tuning for o1-like long reasoning generation tasks that require stronger reasoning capabilities. Experiments across diverse benchmarks and models (e.g., LLaMA, Mistral, QwQ-STILL) demonstrate that, even when half of the layers are identified as lazy, LightTransfer achieves up to 2.17$\times$ throughput improvement with minimal performance loss ($<1.5\%$ on LongBench) and achieves 53.3\% on math benchmark AIME24 of advanced o1-like long reasoning model QwQ-STILL.
Authors: Sajib Kumar Saha Joy, Arman Hassan Mahy, Meherin Sultana, Azizah Mamun Abha, MD Piyal Ahmmed, Yue Dong, G M Shahariar
Abstract: In this study, we investigate extrinsic gender bias in Bangla pretrained language models, a largely underexplored area in low-resource languages. To assess this bias, we construct four manually annotated, task-specific benchmark datasets for sentiment analysis, toxicity detection, hate speech detection, and sarcasm detection. Each dataset is augmented using nuanced gender perturbations, where we systematically swap gendered names and terms while preserving semantic content, enabling minimal-pair evaluation of gender-driven prediction shifts. We then propose RandSymKL, a randomized debiasing strategy integrated with symmetric KL divergence and cross-entropy loss to mitigate the bias across task-specific pretrained models. RandSymKL is a refined training approach to integrate these elements in a unified way for extrinsic gender bias mitigation focused on classification tasks. Our approach was evaluated against existing bias mitigation methods, with results showing that our technique not only effectively reduces bias but also maintains competitive accuracy compared to other baseline approaches. To promote further research, we have made both our implementation and datasets publicly available: https://github.com/sajib-kumar/Mitigating-Bangla-Extrinsic-Gender-Bias
URLs: https://github.com/sajib-kumar/Mitigating-Bangla-Extrinsic-Gender-Bias
Authors: George Whittle, Juliusz Ziomek, Jacob Rawling, Maike A. Osborne
Abstract: While Bayesian inference provides a principled framework for reasoning under uncertainty, its widespread adoption is limited by the intractability of exact posterior computation, necessitating the use of approximate inference. However, existing methods are often computationally expensive, or demand costly retraining when priors change, limiting their utility, particularly in sequential inference problems such as real-time sensor fusion. To address these challenges, we introduce the Distribution Transformer -- a novel architecture that can learn arbitrary distribution-to-distribution mappings. Our method can be trained to map a prior to the corresponding posterior, conditioned on some dataset -- thus performing approximate Bayesian inference. Our novel architecture represents a prior distribution as a (universally-approximating) Gaussian Mixture Model (GMM), and transforms it into a GMM representation of the posterior. The components of the GMM attend to each other via self-attention, and to the datapoints via cross-attention. We demonstrate that Distribution Transformers both maintain flexibility to vary the prior, and significantly reduces computation times-from minutes to milliseconds-while achieving log-likelihood performance on par with or superior to existing approximate inference methods across tasks such as sequential inference, quantum system parameter inference, and Gaussian Process predictive posterior inference with hyperpriors.
Authors: Zhangqi Duan, Nigel Fernandez, Arun Balajiee Lekshmi Narayanan, Mohammad Hassany, Rafaella Sampaio de Alencar, Peter Brusilovsky, Bita Akram, Andrew Lan
Abstract: Knowledge components (KCs) mapped to problems help model student learning, tracking their mastery levels on fine-grained skills thereby facilitating personalized learning and feedback in online learning platforms. However, crafting and tagging KCs to problems, traditionally performed by human domain experts, is highly labor intensive. We present an automated, LLM-based pipeline for KC generation and tagging for open-ended programming problems. We also develop an LLM-based knowledge tracing (KT) framework to leverage these LLM-generated KCs, which we refer to as KCGen-KT. We conduct extensive quantitative and qualitative evaluations on two real-world student code submission datasets in different programming languages.We find that KCGen-KT outperforms existing KT methods and human-written KCs on future student response prediction. We investigate the learning curves of generated KCs and show that LLM-generated KCs result in a better fit than human written KCs under a cognitive model. We also conduct a human evaluation with course instructors to show that our pipeline generates reasonably accurate problem-KC mappings.
Authors: Chien-Yu Lin, Keisuke Kamahori, Yiyu Liu, Xiaoxiang Shi, Madhav Kashyap, Yile Gu, Rulin Shao, Zihao Ye, Kan Zhu, Rohan Kadekodi, Stephanie Wang, Arvind Krishnamurthy, Luis Ceze, Baris Kasikci
Abstract: Retrieval-augmented generation (RAG) extends large language models (LLMs) with external data sources to enhance factual correctness and domain coverage. Modern RAG pipelines rely on large datastores, creating a significant system challenge: achieving high throughput and low latency is difficult, especially when GPU memory is limited. To address these challenges, we propose TeleRAG, an efficient inference system that reduces latency and improves throughput with minimal GPU memory requirements. The core innovation of TeleRAG is lookahead retrieval, a prefetching mechanism that predicts required data and transfers them from CPU to GPU in parallel with LLM generation. In addition, TeleRAG adopts a prefetching scheduler and a cache-aware scheduler to support efficient multi-GPU inference with minimal overhead. Evaluations show TeleRAG achieves up to a 1.53x average end-to-end latency reduction (single-query) and 1.83x higher average throughput (batched), as well as good scalability in throughput. This confirms the practical utility of TeleRAG for faster and more memory-efficient deployments of RAG applications.
Authors: Ghadir Alselwi, Hao Xue, Shoaib Jameel, Basem Suleiman, Flora D. Salim, Imran Razzak
Abstract: Effective long-term memory management is crucial for language models handling extended contexts. We introduce the Enhanced Ranked Memory Augmented Retrieval (ERMAR) framework, which dynamically ranks memory entries based on relevance. Unlike prior models, ERMAR employs a novel relevance scoring mechanism and a pointwise re-ranking model for key-value embeddings, inspired by learning-to-rank techniques in information retrieval. By integrating historical usage patterns and adaptive retrieval, ERMAR achieves state-of-the-art results on standard benchmarks, demonstrating superior scalability and performance in long-context tasks.
Authors: Issa-Mbenard Dabo, J\'er\'emie Bigot
Abstract: Random feature ridge regression is often analyzed in the high-dimensional regime under the homogeneous sampling model $x_i=\Sigma^{1/2}x_i'$, where the vectors $x_i'$ have iid entries and the same covariance matrix $\Sigma$ is shared by all samples. In this paper, we move beyond this setting and study non-identically distributed data through a variance-profile model in which the training and test covariates have row-dependent diagonal covariance matrices $\Sigma_i=\diag(\gamma_{i1}^2,\ldots,\gamma_{ip}^2)$ and $\widetilde{\Sigma}_i=\diag(\tilde\gamma_{i1}^2,\ldots,\tilde\gamma_{ip}^2)$. Our main contribution is the derivation of asymptotic equivalents for the training and test risks of ridge regression with random features when $n$, $p$, and $m$ grow proportionally. The first set of equivalents is obtained by combining the linear-plus-chaos approximation with traffic-probability arguments, whereas the second set is deterministic and follows from operator-valued free probability through an amalgamation-over-the-diagonal argument. These equivalents are sharp in numerical experiments. They also reveal how heterogeneous variance profiles, including mixture-type profiles inspired by MNIST, can modify generalization and exhibit double-descent behavior when the ridge parameter is small.
Authors: J. G. Dai, Tianze Deng, Yueying Li, Tianyi Peng
Abstract: As demand for Large Language Models (LLMs) and AI agents grows rapidly, optimizing systems for efficient LLM inference becomes critical. While significant efforts have targeted system-level engineering, little has been explored from a mathematical modeling and queueing perspective. In this paper, we develop the queueing fundamentals for LLM inference. In particular, we study the throughput aspect of LLM inference systems. We prove that a large class of `work-conserving' scheduling algorithms achieve maximum throughput for both individual requests and AI-agent workloads with directed acyclic graph (DAG) and fork-join routing topologies, establishing `work-conserving' as a key design principle for practitioners. Technically, we develop a fluid-limit framework for multi-class batched processing networks under $K$-FCFS scheduling, which may be of independent interest. Evaluations of real-world systems confirm that Orca and Sarathi-Serve are throughput-optimal, reassuring practitioners, while FasterTransformer and vanilla vLLM are not maximally stable and should be used with caution. Our analysis also reveals how constraints such as batch size limits and cyclic routing topologies complicate the throughput picture, pointing to rich open questions at the intersection of queueing theory and LLM system design.
Authors: Banruo Liu, Wei-Yu Lin, Minghao Fang, Yihan Jiang, Fan Lai
Abstract: The rise of compound AI serving that integrates multiple operators in a pipeline enables end-user applications such as generative AI-powered meeting companions, autonomous driving, and immersive gaming. These workloads span diverse deployment spaces, from cloud-only queries to edge-assisted ones across infrastructure tiers, often including both within an application. Achieving high service goodput -- i.e., meeting service level objectives (SLOs) for pipeline latency, accuracy, and costs -- requires joint planning of operators' placement, configuration, and resource allocation. However, diverse SLOs, varying runtime environments (e.g., heterogeneous device speeds), and a large volume of queries competing for shared infrastructure explode the planning space, making real-time serving and cost-efficient deployment intractable with existing advances. This paper presents Compass, the first SLO-aware query planner that optimizes large-scale compound AI workloads across diverse deployment spaces. Compass decomposes the many-query, multi-SLO planning problem into tractable subproblems while preserving global decision quality, exploiting plan similarities within and across queries to slash the search steps. It further improves per-step efficiency with a plan profiler that performs selective profiling to achieve high-fidelity performance estimates at a fraction of the profiling cost. At runtime, Compass performs query-plan bipartite matching to maximize SLO goodput under resource contentions. Real-world evaluations show that Compass improves service goodput by 2.4--5.1x, reduces deployment costs by 3.8--4.5x, and accelerates planning by 4.2--10.5x, achieving service responsiveness within seconds and near-optimal decision quality.
Authors: Woongyeong Yeo, Kangsan Kim, Soyeong Jeong, Jinheon Baek, Sung Ju Hwang
Abstract: Retrieval-Augmented Generation (RAG) has shown substantial promise in improving factual accuracy by grounding model responses with external knowledge relevant to queries. However, most existing approaches are limited to a text-only corpus, and while recent efforts have extended RAG to other modalities such as images and videos, they typically operate over a single modality-specific corpus. In contrast, real-world queries vary widely in the type of knowledge they require, which a single type of knowledge source cannot address. To address this, we introduce UniversalRAG, an any-to-any RAG framework designed to retrieve and integrate knowledge from heterogeneous sources with diverse modalities and granularities. Specifically, motivated by the observation that forcing all modalities into a unified representation space derived from a single aggregated corpus causes a modality gap, where the retrieval tends to favor items from the same modality as the query, we propose modality-aware routing, which dynamically identifies the most appropriate modality-specific corpus and performs targeted retrieval within it, and further justify its effectiveness with a theoretical analysis. Moreover, beyond modality, we organize each modality into multiple granularity levels, enabling fine-tuned retrieval tailored to the complexity and scope of the query. We validate UniversalRAG on 10 benchmarks of multiple modalities, showing its superiority over various modality-specific and unified baselines.
Authors: Soroosh Tayebi Arasteh, Saba Afza, Tri-Thien Nguyen, Lukas Buess, Maryam Parvin, Tomas Arias-Vergara, Paula Andrea Perez-Toro, Hiu Ching Hung, Mahshad Lotfinia, Thomas Gorges, Elmar Noeth, Maria Schuster, Seung Hee Yang, Andreas Maier
Abstract: Automatic anonymization is increasingly used to enable ethical sharing of clinical speech, yet its perceptual and clinical consequences remain undercharacterized. We present a human-centered evaluation of automatically anonymized pathological speech, using a structured protocol with ten native and non-native German listeners spanning clinical and signal-processing expertise. The cohort comprised 180 German speakers from CLP, Dysarthria, Dysglossia, Dysphonia, and adult and child controls. Each original recording and its automatically-anonymized counterpart was evaluated on four tasks: zero-shot Turing-style discrimination, few-shot discrimination after brief familiarization, 5-point quality rating, and 4-point blinded clinical severity rating by a senior phoniatrician. Listeners detected anonymization at 91% zero-shot and 93% few-shot accuracy, with significant variation across disorders (p=0.008) that attenuated with familiarization. Perceived quality dropped by 30 ppts on a 0-100 scale (p<0.001), reorganizing the perceived-quality hierarchy across groups. Native language modulated detectability but not quality degradation, while domain expertise modulated quality degradation but not detectability, a double dissociation between the two listener attributes; speaker sex and age produced no detectable bias. Clinical severity ratings were preserved at near-perfect agreement in Dysarthria, Dysglossia, and Dysphonia (quadratic-weighted Cohen's kappa 0.87-0.94), with no recording shifting by more than one grade. Crucially, perceptual outcomes were decoupled from the standard computational privacy metric: the pathology with the strongest computational anonymization was the least perceptually conspicuous, and vice versa. These findings argue for disorder-stratified, listener-stratified, clinician-validated evaluation as the minimum standard for licensing anonymized speech for clinical use.
Authors: Tony Tao, Mohan Kumar Srirama, Jason Jingzhou Liu, Kenneth Shaw, Deepak Pathak
Abstract: Large-scale, diverse robot datasets have emerged as a promising path toward enabling dexterous manipulation policies to generalize to novel environments, but acquiring such datasets presents many challenges. While teleoperation provides high-fidelity datasets, its high cost limits its scalability. Instead, what if people could use their own hands, just as they do in everyday life, to collect data? In DexWild, a diverse team of data collectors uses their hands to collect hours of interactions across a multitude of environments and objects. To record this data, we create DexWild-System, a low-cost, mobile, and easy-to-use device. The DexWild learning framework co-trains on both human and robot demonstrations, leading to improved performance compared to training on each dataset individually. This combination results in robust robot policies capable of generalizing to novel environments, tasks, and embodiments with minimal additional robot-specific data. Experimental results demonstrate that DexWild significantly improves performance, achieving a 68.5% success rate in unseen environments-nearly four times higher than policies trained with robot data only-and offering 5.8x better cross-embodiment generalization. Video results, codebases, and instructions at https://dexwild.github.io
Authors: Xiao-Qi Han, Peng-Jie Guo, Ze-Feng Gao, Hao Sun, Zhong-Yi Lu
Abstract: Developing inverse design methods for functional materials with specific properties is critical to advancing fields like renewable energy, catalysis, energy storage, and carbon capture. Generative models based on diffusion principles can directly produce new materials that meet performance constraints, thereby significantly accelerating the material design process. However, existing methods for generating and predicting crystal structures often remain limited by low success rates. In this work, we propose a novel inverse material design generative framework called InvDesFlow-AL, which is based on active learning strategies. This framework can iteratively optimize the material generation process to gradually guide it towards desired performance characteristics. In terms of crystal structure prediction, the InvDesFlow-AL model achieves an RMSE of 0.0423 {\AA}, representing an 32.96% improvement in performance compared to exsisting generative models. Additionally, InvDesFlow-AL has been successfully validated in the design of low-formation-energy and low-Ehull materials. It can systematically generate materials with progressively lower formation energies while continuously expanding the exploration across diverse chemical spaces. These results fully demonstrate the effectiveness of the proposed active learning-driven generative model in accelerating material discovery and inverse design. To further prove the effectiveness of this method, we took the search for BCS superconductors under ambient pressure as an example explored by InvDesFlow-AL. As a result, we successfully identified Li\(_2\)AuH\(_6\) as a conventional BCS superconductor with an ultra-high transition temperature of 140 K. This discovery provides strong empirical support for the application of inverse design in materials science.
Authors: William R. P. Denault
Abstract: Sparse linear regression is a fundamental tool in data analysis. However, traditional approaches often fall short when covariates exhibit structure or arise from heterogeneous sources. In biomedical applications, covariates may stem from distinct modalities or be structured according to an underlying graph. We introduce \textit{Neural Adaptive Shrinkage} (Nash), a unified framework that integrates covariate-specific side information into sparse regression via neural networks. Nash adaptively modulates penalties on a per-covariate basis, learning to tailor regularization without cross-validation. We use a \textit{split variational empirical Bayes} algorithm that decouples prior learning from posterior inference, reducing the M-step from $\mathcal{O}(p) $ neural-network passes per sweep to a single batched pass, a \textit{74 to 106x wall-clock speedup} over previously proposed coordinate ascent CAVI for p between $10^2$ and $10^4$. Experiments on real data demonstrate that Nash improves accuracy and adaptability over existing methods.
Authors: Xiaoyu Xu, Xiang Yue, Yang Liu, Qingqing Ye, Huadi Zheng, Peizhao Hu, Minxin Du, Haibo Hu
Abstract: Unlearning in large language models (LLMs) aims to remove specified data, but its efficacy is typically assessed with task-level metrics like accuracy and perplexity. We show that these metrics can be misleading, as models can appear to forget while their original behavior is easily restored through minimal fine-tuning. This \emph{reversibility} suggests that information is merely suppressed, not genuinely erased. To address this critical evaluation gap, we introduce a \emph{representation-level analysis framework}. Our toolkit comprises PCA similarity and shift, centered kernel alignment (CKA), and Fisher information, complemented by a summary metric, the mean PCA distance, to measure representational drift. Applying this framework across multiple unlearning methods, data domains, and LLMs, we identify four distinct forgetting regimes based on their \emph{reversibility} and \emph{catastrophicity}. We compare recovery strategies and show that relearning efficiency relies on the data source. We also find that irreversible, non-catastrophic forgetting is exceptionally challenging. By probing unlearning limits, we identify a case of seemingly irreversible, targeted forgetting, offering insights for more robust erasure algorithms. Overall, our findings expose a gap in current evaluation and establish a representation-level foundation for trustworthy unlearning.
Authors: Xiao-Qi Han, Ze-Feng Gao, Xin-De Wang, Zhenfeng Ouyang, Peng-Jie Guo, Zhong-Yi Lu
Abstract: The discovery of high-temperature superconducting materials holds great significance for human industry and daily life. In recent years, research on predicting superconducting transition temperatures using artificial intelligence~(AI) has gained popularity, with most of these tools claiming to achieve remarkable accuracy. However, the lack of widely accepted benchmark datasets in this field has severely hindered fair comparisons between different AI algorithms and impeded further advancement of these methods. In this work, we present the HTSC-2025, an ambient-pressure high-temperature superconducting benchmark dataset. This comprehensive compilation encompasses theoretically predicted superconducting materials discovered by theoretical physicists from 2023 to 2025 based on BCS superconductivity theory, including the renowned X$_2$YH$_6$ system, perovskite MXH$_3$ system, M$_3$XH$_8$ system, cage-like BCN-doped metal atomic systems derived from LaH$_{10}$ structural evolution, and two-dimensional honeycomb-structured systems evolving from MgB$_2$. The HTSC-2025 benchmark has been open-sourced at https://github.com/xqh19970407/HTSC-2025 and will be continuously updated. This benchmark holds significant importance for accelerating the discovery of superconducting materials using AI-based methods.
Authors: Curtis Fox, Aaron Mishkin, Sharan Vaswani, Mark Schmidt
Abstract: Iteration complexities for optimizing smooth functions with first-order algorithms are typically stated in terms of a global Lipschitz constant of the gradient, and near-optimal results are then achieved using fixed step sizes. But many objective functions that arise in practice have regions with small Lipschitz constants where larger step sizes can be used. Many local Lipschitz assumptions have been proposed, which have led to results showing that adaptive step sizes and/or line searches yield improved convergence rates over fixed step sizes. However, these faster rates tend to depend on the iterates of the algorithm, which makes it difficult to compare the iteration complexities of different methods. We consider a simple characterization of global and local ("glocal") smoothness that only depends on properties of the function. This allows upper bounds on iteration complexities in terms of iterate-independent constants and enables us to compare iteration complexities between algorithms. Under this assumption it is straightforward to show the advantages of line searches over fixed step sizes and that, in some settings, gradient descent with line search has a better iteration complexity than accelerated methods with fixed step sizes. We further show that glocal smoothness can lead to improved complexities for the Polyak and AdGD step sizes, as well other algorithms including coordinate optimization, stochastic gradient methods, accelerated gradient methods, and non-linear conjugate gradient methods.
Authors: Reyna Abhyankar, Qi Qi, Yiying Zhang
Abstract: Generative AI is being leveraged to solve a variety of computer-use tasks involving desktop applications. State-of-the-art systems have focused solely on improving accuracy on leading benchmarks. However, these systems are practically unusable due to extremely high end-to-end latency (e.g., tens of minutes) for tasks that typically take humans just a few minutes to complete. To understand the cause behind this and to guide future developments of computer agents, we conduct the first study on the temporal performance of computer-use agents on OSWorld, the flagship benchmark in computer-use AI. We find that large model calls for planning, reflection, and judging account for most of the overall latency, and as an agent uses more steps to complete a task, each successive step can take 3x longer than steps at the beginning of a task. We then construct OSWorld Human, a manually annotated version of the original OSWorld dataset that contains a human-determined trajectory for each task. We evaluate 16 agents on their efficiency using OSWorld Human and found that even the best agents take 2.7-4.3x more steps than necessary.
Authors: Huai-Chih Wang, Hsiang-Chun Chuang, Hsi-Chun Cheng, Dai-Jie Wu, Shao-Hua Sun
Abstract: Effective coordination among unfamiliar partners remains a major challenge in multi-agent systems. Existing approaches, such as population-based methods, improve robustness through diversity but often lack mechanisms for efficient adaptation beyond training distribution. Moreover, fine-tuning is impractical in few-shot settings due to its high interaction cost. To address these limitations, we propose CooT, a framework that leverages in-context learning (ICL) for real-time partner adaptation. Unlike prior ICL approaches that focus on task generalization, CooT is designed to generalize across diverse partner behaviors. Trained on trajectories from behavior-preferring agents, it learns to align actions with partner intentions purely through observation. We evaluate CooT on two challenging multi-agent benchmarks: Overcooked and Google Research Football. Results show that CooT consistently outperforms population-based methods, gradient-based fine-tuning, and Meta-RL baselines, achieving stable and rapid adaptation without parameter updates. Human evaluations also identify CooT as a preferred collaborator, and our ablations confirm its ability to adapt quickly to new partners and remain stable under sudden partner changes, making it reliable for real-world human-AI collaboration.
Authors: Zeyi Liu, Shuang Li, Eric Cousineau, Siyuan Feng, Benjamin Burchfiel, Shuran Song
Abstract: Understanding and predicting dynamics of the physical world can enhance a robot's ability to plan and interact effectively in complex environments. While recent video generation models have shown strong potential in modeling dynamic scenes, generating videos that are both temporally coherent and geometrically consistent across camera views remains a significant challenge. To address this, we propose a 4D video generation model that enforces multi-view 3D consistency of generated videos by supervising the model with cross-view pointmap alignment during training. Through this geometric supervision, the model learns a shared 3D scene representation, enabling it to generate spatio-temporally aligned future video sequences from novel viewpoints given a single RGB-D image per view, and without relying on camera poses as input. Compared to existing baselines, our method produces more visually stable and spatially aligned predictions across multiple simulated and real-world robotic datasets. We further show that the predicted 4D videos can be used to recover robot end-effector trajectories using an off-the-shelf 6DoF pose tracker, yielding robot manipulation policies that generalize well to novel camera viewpoints.
Authors: Hanno Gottschalk, Emil Partow, Tobias J. Riedlinger
Abstract: We prove consistency of a recently proposed scheme that evaluates expected values by composing a learned transport map with Clenshaw--Curtis sparse-grid quadrature on a tractable product source. Our analysis hinges on the structural fact that composition of a $C^k_{\mathrm{mix}}$-regular function -- which carries the fast quadrature rate $m^{-k}(\log m)^{(d-1)(k+1)}$ -- with a $C^1$-diffeomorphism can only be guaranteed to be $C^k_{\mathrm{mix}}$ itself, if the diffeomorphism is diagonal up to a permutation of coordinates. The fast rate is therefore available exclusively for product targets, and the analysis splits into two regimes. In the general regime of arbitrary targets, we learn the transport as the time-one flow of a $\mathrm{ReLU}^{k+1}$-neural ODE trained by maximum likelihood. The resulting flow lies in the isotropic space $C^k$ and yields the rate $m^{-k/d}(\log m)^{(d-1)(k/d+1)}$, with raising the density smoothness $k$ and the matched activation order $k+1$ mitigating the curse of dimensionality at the cost of harder optimization. In the diagonal regime of product targets, the Knothe--Rosenblatt map is itself diagonal and we estimate it pointwise via empirical quantile transport, a lightweight alternative that recovers the full mixed-regularity rate. In both regimes, the resulting LtI estimator is PAC (probably approximately correct) consistent. With high probability the numerical integral approximates the true value to arbitrary accuracy as both the sample size $n$ and the quadrature budget $m$ tend to infinity.
Authors: Alberto Del Pia, Dekun Zhou
Abstract: Sparse Principal Component Analysis (SPCA) is a fundamental technique for dimensionality reduction, and is NP-hard. In this paper, we introduce a randomized approximation algorithm for SPCA, which is based on the basic SDP relaxation. Our algorithm takes an (approximate) SDP solution, constructs one deterministic sparse solution and several randomized solutions, and outputs the best among them. Our algorithm has an approximation ratio of at most the sparsity constant with high probability, if called enough times. Under a technical assumption, which is consistently satisfied in our numerical tests, the average approximation ratio is also bounded by $\mathcal{O}(\log{d})$, where $d$ is the number of features. We show that this technical assumption is satisfied if the SDP solution is low-rank, or has exponentially decaying eigenvalues. We then present two classes of instances for which this technical assumption holds. We also demonstrate that in a covariance model, which generalizes the spiked Wishart model, the deterministic solution in our algorithm achieves a near-optimal approximation ratio. We demonstrate the efficacy of our algorithm through numerical tests on real-world datasets.
Authors: Haoyang Liu, Yijiang Li, Haohan Wang
Abstract: Gene expression analysis holds the key to many biomedical discoveries, yet extracting insights from raw transcriptomic data remains formidable due to the complexity of multiple large, semi-structured files and the need for extensive domain expertise. Current automation approaches are often limited by either inflexible workflows that break down in edge cases or by fully autonomous agents that lack the necessary precision for rigorous scientific inquiry. GenoMAS charts a different course by presenting a team of LLM-based scientists that integrates the reliability of structured workflows with the adaptability of autonomous agents. GenoMAS orchestrates six specialized LLM agents through typed message-passing protocols, each contributing complementary strengths to a shared analytic canvas. At the heart of GenoMAS lies a guided-planning framework: programming agents unfold high-level task guidelines into Action Units and, at each juncture, elect to advance, revise, bypass, or backtrack, thereby maintaining logical coherence while bending gracefully to the idiosyncrasies of genomic data. On the GenoTEX benchmark, GenoMAS reaches a Composite Similarity Correlation of 89.13% for data preprocessing and an F$_1$ of 60.48% for gene identification, surpassing the best prior art by 10.61% and 16.85% respectively. Beyond metrics, GenoMAS surfaces biologically plausible gene-phenotype associations corroborated by the literature, all while adjusting for latent confounders. Code is available at https://github.com/Liu-Hy/GenoMAS.
Authors: Xuan Qi, Rongwu Xu, Zhijing Jin
Abstract: Aligning large language models (LLMs) with human preferences is a critical challenge in AI research. While methods like Reinforcement Learning from Human Feedback (RLHF) and Direct Preference Optimization (DPO) are widely used, they often rely on large, costly preference datasets. The current work lacks methods for high-quality data selection specifically for preference data. In this work, we introduce a novel difficulty-based data selection strategy for preference datasets, grounded in the DPO implicit reward mechanism. By selecting preference data examples with smaller DPO implicit reward gaps, which are indicative of more challenging cases, we improve data efficiency and model alignment. Our approach consistently outperforms five strong baselines across multiple datasets and alignment tasks, achieving superior performance with only 10\% of the original data. This principled, efficient selection method offers a promising solution for scaling LLM alignment with limited resources.
Authors: Yuyang Liu, Qiuhe Hong, Linlan Huang, Alexandra Gomez-Villa, Dipam Goswami, Xialei Liu, Joost van de Weijer, Yonghong Tian
Abstract: Vision-language models (VLMs) and the recent surge of Multimodal Large Language Models (MLLMs) have revolutionized artificial intelligence with unprecedented cross-modal alignment and zero-shot generalization. However, enabling them to learn continually from non-stationary data remains a major challenge, as their cross-modal alignment and generalization capabilities are particularly vulnerable to catastrophic forgetting. Unlike traditional unimodal continual learning (CL), VLMs face unique challenges such as cross-modal feature drift, parameter interference due to shared architectures, and zero-shot capability erosion. Furthermore, generative MLLMs exhibit a unique ``alignment tax,'' where catastrophic forgetting manifests not merely as factual amnesia, but as a systemic collapse of deep Chain-of-Thought (CoT) reasoning. This survey presents the first comprehensive, diagnostic review bridging continual learning for both predictive VLMs and generative MLLMs. We systematically deconstruct the aforementioned failure modes and propose a challenge-driven taxonomy comprising four core paradigms: (1) Multi-Modal Replay Strategies addressing explicit and implicit memory drift; (2) Cross-Modal Regularization enforcing topological and geometric alignment; (3) Parameter-Efficient Adaptation} utilizing dynamic routing and subspace projections; and the emerging (4) Model Fusion and Decoupling paradigms. We critically analyze the evolution of evaluation protocols, highlighting the essential shift toward dual-track benchmarks (Domain vs. Ability CL) and micro-diagnostic CoT evaluations. Finally, we chart a roadmap for future research, emphasizing compositional zero-shot learning, embodied AI with sensor fusion, and autonomous agentic ecosystems. All resources are available at: https://github.com/YuyangSunshine/Awesome-Continual-learning-of-Vision-Language-Models.
URLs: https://github.com/YuyangSunshine/Awesome-Continual-learning-of-Vision-Language-Models.
Authors: Lei Jiang, Fan Chen
Abstract: Large language models (LLMs) increasingly follow neural scaling laws that tie performance gains to rapidly expanding computational budgets, raising concerns about the sustainability of frontier-scale training. Existing carbon-estimation methods largely depend on regression over historical runs and fail to capture critical system-level factors, including hardware heterogeneity, distributed parallelism, communication overhead, and architectural sparsity. We present \textit{CarbonScaling}, a hardware-aware analytical framework for modeling the carbon scaling behavior of frontier LLM training. The framework integrates neural scaling laws, distributed training strategies, accelerator and interconnect modeling, and operational and embodied carbon accounting to estimate feasible hardware configurations and associated emissions. CarbonScaling jointly models tensor, pipeline, data, and expert parallelism while incorporating memory, bandwidth, utilization, and runtime constraints. Experimental validation demonstrates substantially higher fidelity than regression-based baselines and highlights the growing importance of embodied carbon at trillion-parameter scales. Source code: \url{https://github.com/UnchartedRLab/CarbonScaling}.
Authors: Kyu-Hwan Lee, Seewoo Lee
Abstract: By applying interpretable machine learning methods such as decision trees, we study how simple models can classify the Galois groups of Galois extensions over $\mathbb{Q}$ of degrees 4, 6, 8, 9, and 10, using Dedekind zeta coefficients. Our interpretation of the machine learning results allows us to understand how the distribution of zeta coefficients depends on the Galois group, and to prove new criteria for classifying the Galois groups of these extensions. Combined with previous results, this work provides another example of a new paradigm in mathematical research driven by machine learning.
Authors: Abdullah Al Nomaan Nafi, Habibur Rahaman, Zafaryab Haider, Tanzim Mahfuz, Fnu Suya, Swarup Bhunia, Prabuddha Chakraborty
Abstract: Numerous techniques have been proposed for generating adversarial examples in white-box settings under strict Lp-norm constraints. However, such norm-bounded examples often fail to align well with human perception, and only recently have a few methods begun specifically exploring perceptually aligned adversarial examples. Moreover, it remains unclear whether insights from Lp-constrained attacks can be effectively leveraged to improve perceptual efficacy. In this paper, we introduce DAASH, a fully differentiable meta-attack framework that generates effective and perceptually aligned adversarial examples by strategically composing existing Lp-based attack methods. DAASH operates in a multi-stage fashion: at each stage, it aggregates candidate adversarial examples from multiple base attacks using learned, adaptive weights and propagates the result to the next stage. A novel meta-loss function guides this process by jointly minimizing misclassification loss and perceptual distortion, enabling the framework to dynamically modulate the contribution of each base attack throughout the stages. We evaluate DAASH on adversarially trained models across CIFAR-10, CIFAR-100, and ImageNet. Despite relying solely on Lp-constrained based methods, DAASH significantly outperforms state-of-the-art perceptual attacks such as AdvAD -- achieving higher attack success rates (e.g., 20.63\% improvement) and superior visual quality, as measured by SSIM, LPIPS, and FID (improvements $\approx$ of 11, 0.015, and 5.7, respectively). Furthermore, DAASH generalizes well to unseen defenses, making it a practical and strong baseline for evaluating robustness without requiring handcrafted adaptive attacks for each new defense.
Authors: Ehssan Mousavipour, Andrey Dimanchev, Majid Ghaderi
Abstract: Distribution shift, a change in the statistical properties of data over time, poses a critical challenge for deep learning anomaly detection systems. Existing anomaly detection systems often struggle to adapt to these shifts. Specifically, systems based on supervised learning require costly manual labeling, while those based on unsupervised learning rely on clean data, which is difficult to obtain, for shift adaptation. Both of these requirements are challenging to meet in practice. In this paper, we introduce NetSight, a framework for supervised anomaly detection in network data that continually detects and adapts to distribution shifts in an online manner. NetSight eliminates manual intervention through a novel pseudo-labeling technique and uses a knowledge distillation-based adaptation strategy to prevent catastrophic forgetting. Evaluated on three long-term network datasets, NetSight demonstrates superior adaptation performance compared to state-of-the-art methods that rely on manual labeling, achieving F1-score improvements of up to 11.72%. This proves its robustness and effectiveness in dynamic networks that experience distribution shifts over time.
Authors: Terry Jingchen Zhang, Wenyuan Jiang, Rongchuan Liu, Yisong Wang, Junran Yang, Ning Wang, Nicole Ni, Yinya Huang, Mrinmaya Sachan
Abstract: Formal theorem proving (FTP) has emerged as a critical foundation for evaluating the reasoning capabilities of large language models, enabling automated verification of mathematical proofs at scale. However, progress has been constrained by limited datasets due to the high cost of manual curation and the scarcity of challenging problems with verified formal-informal correspondences. We propose leveraging theoretical computer science (TCS) as a scalable source of rigorous proof problems, where algorithmic definitions enable automated generation of arbitrarily many challenging theorem-proof pairs. We demonstrate this approach on two TCS domains: Busy Beaver problems, which involve proving bounds on Turing machine halting behavior, and Mixed Boolean Arithmetic problems, which combine logical and arithmetic reasoning. Our framework automatically synthesizes problems with parallel formal (Lean4) and informal (Markdown) specifications, creating a scalable pipeline for generating verified proof challenges. Evaluation on frontier models reveals substantial gaps in automated theorem proving: while DeepSeekProver-V2-671B achieves 57.5\% success on Busy Beaver problems, it manages only 12\% on Mixed Boolean Arithmetic problems. These results highlight the difficulty of long-form proof generation even for problems that are computationally easy to verify, demonstrating the value of TCS domains for advancing automated reasoning research.
Authors: Naren Sengodan
Abstract: Fine-Grained Visual Classification (FGVC) requires models to focus on subtle, task-relevant regions rather than broad object context. We present The Loupe, a lightweight plug-and-play spatial gating module for hierarchical Vision Transformers. The module is inserted at an intermediate feature stage, predicts a single-channel spatial mask with a small CNN, and uses that mask to reweight feature activations during end-to-end training with a cross-entropy objective and an l1 sparsity term. On CUB-200-2011, The Loupe improves Swin-Base from 88.36% to 91.72% and Swin-Tiny from 85.14% to 88.61%, with under 0.1% additional parameters. Ablations show that the improvement depends on the insertion point and the sparsity regularizer, suggesting that controlled spatial gating is more effective than naive multi-scale masking in this setting. Qualitative results indicate that the learned masks often align with discriminative bird parts, although the module is not a substitute for part-level supervision and can fail under occlusion or fine-grained intra-part differences.
Authors: Po-Hsien Yu, Yu-Syuan Tseng, Shao-Yi Chien
Abstract: Person re-identification (re-ID) is a fundamental task in intelligent surveillance and public safety. Federated learning (FL) provides a privacy-preserving paradigm for collaborative model training without centralized data collection. However, deploying FL in real-world re-ID systems remains challenging due to statistical heterogeneity caused by non-IID client data and the substantial communication overhead incurred by frequent transmission of large-scale models. To address these challenges, we propose FedKLPR, a lightweight and communication-efficient federated learning framework for person re-ID. FedKLPR consists of three key components. First, KL-Divergence-Guided training, including the KL-Divergence Regularization Loss (KLL) and KL-Divergence-aggregation Weight (KLAW), is introduced to mitigate statistical heterogeneity and improve convergence stability under non-IID settings. Second, unstructured pruning is incorporated to reduce communication overhead, and the Pruning-ratio-aggregation Weight (PRAW) is proposed to measure the relative importance of client parameters after pruning. Together with KLAW, PRAW forms KL-Divergence-Prune Weighted Aggregation (KLPWA), enabling effective aggregation of pruned local models under heterogeneous data distributions. Third, Cross-Round Recovery (CRR) adaptively controls pruning across communication rounds to prevent excessive compression and preserve model accuracy. Experiments on eight benchmark datasets demonstrate that FedKLPR achieves substantial communication savings while maintaining competitive accuracy. Compared with state-of-the-art methods, FedKLPR reduces communication cost by 40\%--42\% on ResNet-50 while achieving better overall performance.
Authors: Yifan Chen, Eric Vanden-Eijnden, Jiawei Xu
Abstract: We study the design of interpolation schedules in flow and diffusion-based generative models from both statistical and numerical perspectives. Within the stochastic interpolants framework, we first show that scalar interpolation schedules are statistically equivalent under the Kullback--Leibler divergence in path space, after optimal a posteriori tuning of the diffusion coefficient. This equivalence motivates focusing on numerical properties of the drift field rather than purely statistical criteria. We propose minimizing the averaged squared Lipschitzness of the drift as a principled criterion for schedule design, in contrast with kinetic-energy minimization in optimal transport. A simple transfer formula expresses the drift of one schedule in terms of the drift of another, allowing the designed schedule to be used at inference time with a model trained under a different (e.g., linear) schedule, without retraining. We work out the optimal schedules analytically for Gaussian and Gaussian-mixture targets: for Gaussians, we obtain exponential improvements in the Lipschitz constant over linear schedules; for Gaussian mixtures, we obtain schedules that mitigate mode collapse in few-step sampling. We then validate the approach on high-dimensional invariant measures of stochastic Allen--Cahn and Navier--Stokes equations, where the designed schedule yields markedly more accurate fine-scale statistics at fixed integrator budget.
Authors: Alireza Sedighi Moghaddam, Mohammad Reza Mohammadi
Abstract: Labeled data is a fundamental component in training supervised deep learning models for computer vision tasks. However, the labeling process, especially for ordinal image classification where class boundaries are often ambiguous, is prone to error and noise. Such label noise can significantly degrade the performance and reliability of machine learning models. This paper addresses the problem of detecting and correcting label noise in ordinal image classification tasks. To this end, a novel data-centric method called ORDinal Adaptive Correction (ORDAC) is proposed for adaptive correction of noisy labels. The proposed approach leverages the capabilities of Label Distribution Learning (LDL) to model the inherent ambiguity and uncertainty present in ordinal labels. During training, ORDAC dynamically adjusts the mean and standard deviation of the label distribution for each sample. Rather than discarding potentially noisy samples, this approach aims to correct them and make optimal use of the entire training dataset. The effectiveness of the proposed method is evaluated on benchmark datasets for age estimation (Adience) and disease severity detection (Diabetic Retinopathy) under various asymmetric Gaussian noise scenarios. Results show that ORDAC and its extended versions (ORDAC_C and ORDAC_R) lead to significant improvements in model performance. For instance, on the Adience dataset with 40% noise, ORDAC_R reduced the mean absolute error from 0.86 to 0.62 and increased the recall metric from 0.37 to 0.49. The method also demonstrated its effectiveness in correcting intrinsic noise present in the original datasets. This research indicates that adaptive label correction using label distributions is an effective strategy to enhance the robustness and accuracy of ordinal classification models in the presence of noisy data.
Authors: Yu Chang, Jiahao Chen, Anzhe Cheng, Paul Bogdan
Abstract: Diffusion models have achieved strong results in text-to-image generation, but important limitations remain as prompts become more structured and multi-object. On the architecture side, U-Net backbones are efficient and stable, yet their locality makes global coordination harder, while Transformer-based diffusion models improve global interactions but at substantially higher compute and memory cost. In parallel, compositional reliability remains weak: models often mix attributes across objects, violate spatial relations, or omit requested entities, and these errors are not reliably reflected by global metrics such as FID or CLIP-based scores. To address these issues without changing the SDXL pipeline, we propose MaskAttn-SDXL, a plug-in module that injects token-conditioned spatial gating into cross-attention logits before softmax. The gating sparsifies token-to-location interactions to suppress irrelevant bindings while preserving the pretrained backbone and standard sampling process, requiring no external supervision or inference-time editing.
Authors: Nathanael Jo, Ashia Wilson
Abstract: Evaluations of generative models are now ubiquitous, and their outcomes critically shape public and scientific expectations of AI's capabilities. Yet skepticism about their reliability continues to grow. How can we know that a reported accuracy genuinely reflects a model's underlying performance? Although benchmark results are often presented as direct measurements of capability, in practice they are inferences: treating a score as evidence of capability already presupposes a theory of what it means to be capable at a task. We argue that AI evaluations should instead be framed as inference tasks grounded on an explicit theory of capability. While this perspective is standard in fields like psychometrics, it remains underdeveloped in AI evaluation, where core assumptions are often left implicit. As a proof-of-concept, we empirically show that reported performance can depend strongly on the evaluator's modeling assumptions, underscoring the need for transparent, theory-driven evaluation practices. We conclude by offering an Evaluation Card to help researchers document, justify, and scrutinize the modeling decisions underlying AI evaluations.
Authors: Zhilin Wang, Jiaqi Zeng, Olivier Delalleau, Ellie Evans, Daniel Egert, Hoo-Chang Shin, Felipe Soares, Yi Dong, Oleksii Kuchaiev
Abstract: Reinforcement Learning with Human Feedback (RLHF) and Reinforcement Learning with Verifiable Rewards (RLVR) are the main RL paradigms used in LLM post-training, each offering distinct advantages. However, RLHF struggles with interpretability and reward hacking because it relies on human judgments that usually lack explicit criteria, whereas RLVR is limited in scope by its focus on correctness-based verifiers. We propose Reinforcement Learning with Binary Flexible Feedback (RLBFF), which combines the versatility of human-driven preferences with the precision of rule-based verification, enabling reward models to capture nuanced aspects of response quality beyond mere correctness. RLBFF extracts principles that can be answered in a binary fashion (e.g. accuracy of information: yes, or code readability: no) from natural language feedback. Such principles can then be used to ground Reward Model training as an entailment task (response satisfies or does not satisfy an arbitrary principle). We show that Reward Models trained in this manner can outperform Bradley-Terry models when matched for data and achieve top performance on RM-Bench (86.2%) and JudgeBench (81.4%, #1 on leaderboard as of September 24, 2025). Additionally, users can specify principles of interest at inference time to customize the focus of our reward models, in contrast to Bradley-Terry models. Finally, we present a fully open source recipe (including data) to align Qwen3-32B using RLBFF and our Reward Model, to match or exceed the performance of o3-mini and DeepSeek R1 on general alignment benchmarks of MT-Bench, WildBench, and Arena Hard v2 (at <5% of the inference cost). Models: https://huggingface.co/collections/nvidia/reward-models-10-2025
URLs: https://huggingface.co/collections/nvidia/reward-models-10-2025
Authors: Nikita Kornilov, David Li, Tikhon Mavrin, Aleksei Leonov, Nikita Gushchin, Evgeny Burnaev, Iaroslav Koshelev, Alexander Korotin
Abstract: While achieving exceptional generative quality, modern diffusion, flow, and other matching models suffer from slow inference, as they require many steps of iterative generation. Recent distillation methods address this problem by training efficient one-step generators under the guidance of a pre-trained teacher model. However, these methods are often constrained to only one specific framework, e.g., only to diffusion or only to flow models. Furthermore, these methods are originally data-free, and to benefit from the usage of real data, it is required to use an additional complex adversarial training with an extra discriminator model. In this paper, we present RealUID, a universal distillation framework for all matching models that seamlessly incorporates real data into the distillation procedure without GANs. Our RealUID approach offers a simple theoretical foundation that covers previous distillation methods for Flow Matching and Diffusion models, and can be also extended to their modifications, such as Bridge Matching and Stochastic Interpolants. The code can be found in https://github.com/David-cripto/RealUID.
Authors: Vincent Froese, Moritz Grillo, Christoph Hertrich, Moritz Stargalla
Abstract: Neural networks with ReLU activations are a widely used model in machine learning. It is thus important to have a profound understanding of the properties of the functions computed by such networks. Recently, there has been increasing interest in the (parameterized) computational complexity of determining these properties. In this work, we close several gaps and resolve an open problem posted by Froese et al. [COLT '25] regarding the parameterized complexity of various problems related to network verification. In particular, we prove that deciding positivity (and thus surjectivity) of a function $f\colon\mathbb{R}^d\to\mathbb{R}$ computed by a 2-layer ReLU network is W[1]-hard when parameterized by $d$. This result also implies that zonotope (non-)containment is W[1]-hard with respect to $d$, a problem that is of independent interest in computational geometry, control theory, and robotics. Moreover, we show that approximating the maximum within any multiplicative factor in 2-layer ReLU networks, computing the $L_p$-Lipschitz constant for $p\in(0,\infty]$ in 2-layer networks, and approximating the $L_p$-Lipschitz constant in 3-layer networks are NP-hard and W[1]-hard with respect to $d$. Notably, our hardness results are the strongest known so far and imply that the naive enumeration-based methods for solving these fundamental problems are all essentially optimal under the Exponential Time Hypothesis.
Authors: Yi-Ting Hung, Li-Hsiang Lin, Vince D. Calhoun
Abstract: Recent advances in deep learning highlight the need for personalized models that can learn from small samples, handle high-dimensional features, and remain interpretable. To address this, we propose the Sparse Deep Additive Model with Interactions (SDAMI), a framework that combines sparsity-driven feature selection with deep subnetworks for flexible function approximation. Central to SDAMI is the Effect Footprint principle, which posits that higher-order interactions leave detectable marginal traces on constituent variables, enabling their discovery without exhaustive search. SDAMI executes this principle through a three-stage strategy: (1) screening for footprint variables, (2) disentangling main effects from interactions via group lasso, and (3) modeling components with dedicated deep subnetworks. Theoretical analysis confirms that footprints vanish only under measure-zero symmetry conditions that are rare in practice, ensuring consistent interaction recovery. Extensive simulations demonstrate that SDAMI successfully identifies pure interactions that heredity-based baselines fundamentally miss, recovering complex effect structures with near-zero false positive rates. Together, these results position SDAMI as a principled framework for interpretable high-dimensional regression.
Authors: Zhe Li, Zhiwei Lin, Yongtao Wang
Abstract: The integration of Large Language Models (LLMs) with Neural Architecture Search (NAS) has introduced new possibilities for automating the design of neural architectures. However, most existing methods face critical limitations, including architectural invalidity, computational inefficiency, and inferior performance compared to traditional NAS. In this work, we present Collaborative LLM-based NAS (CoLLM-NAS), a two-stage NAS framework with knowledge-guided search driven by two complementary LLMs. Specifically, we propose a stateful Navigator LLM to guide search direction, a stateless Generator LLM to synthesize high-quality candidates, and a Coordinator module to orchestrate inter-LLM communication and manage evaluation processes. CoLLM-NAS efficiently guides the search process by combining LLMs' inherent knowledge of structured neural architectures with progressive knowledge from iterative feedback and historical trajectory. Experimental results on ImageNet and NAS-Bench-201 show that CoLLM-NAS surpasses existing NAS methods and conventional search algorithms, achieving new state-of-the-art results while significantly reducing search costs by 4--10. Furthermore, CoLLM-NAS consistently enhances the performance and efficiency of various two-stage NAS methods (e.g., OFA, SPOS, and AutoFormer) across diverse search spaces (e.g., MobileNet, ShuffleNet, and AutoFormer), demonstrating its excellent generalization.
Authors: Hsien-Chin Lin, Benjamin Matthias Ruppik, Carel van Niekerk, Chia-Hao Shen, Michael Heck, Nurul Lubis, Renato Vukovic, Shutong Feng, Milica Ga\v{s}i\'c
Abstract: Large language models (LLMs) have achieved remarkable success in a wide range of natural language processing tasks and can be adapted through prompting. However, they remain suboptimal in multi-turn interactions, often relying on incorrect early assumptions and failing to track user goals over time, which makes such tasks particularly challenging. Prior works in dialogue systems have shown that long-term planning is essential for handling interactive tasks. In this work, we propose a prompt optimisation framework inspired by reinforcement learning, which enables such planning to take place by only modifying the task instruction prompt of the LLM-based agent. By generating turn-by-turn feedback and leveraging experience replay for prompt rewriting, our proposed method shows significant improvement in multi-turn tasks such as text-to-SQL and task-oriented dialogue. Moreover, it generalises across different LLM-based agents and can leverage diverse LLMs as meta-prompting agents. This warrants future research in reinforcement learning-inspired parameter-free optimisation methods.
Authors: Arthur G. Rattew, Po-Wei Huang, Naixu Guo, Lirand\"e Pira, Patrick Rebentrost
Abstract: Fault-tolerant Quantum Processing Units (QPUs) promise to deliver exponential speed-ups in select computational tasks, yet their integration into modern deep learning pipelines remains unclear. In this work, we take a step towards bridging this gap by presenting the first fully-coherent quantum implementation of a multilayer neural network with non-linear activation functions. Our constructions mirror widely used deep learning architectures based on ResNet, and consist of residual blocks with multi-filter 2D convolutions, sigmoid activations, skip-connections, and layer normalizations. We analyse the complexity of inference for networks under three quantum data access regimes. Without any assumptions, we establish a quadratic speedup over classical methods for shallow bilinear-style networks. With efficient quantum access to the weights, we obtain a quartic speedup over classical methods. With efficient quantum access to both the inputs and the network weights, we prove that a network with an $N$-dimensional vectorized input, $k$ residual block layers, and a final residual-linear-pooling layer can be implemented with an error of $\epsilon$ with $O(\text{polylog}(N/\epsilon)^k)$ inference cost.
Authors: Heming Xia, Cunxiao Du, Rui Li, Chak Tou Leong, Yongqi Li, Wenjie Li
Abstract: Large reasoning models (LRMs) have demonstrated remarkable proficiency in tackling complex tasks through step-by-step thinking. However, this lengthy reasoning process incurs substantial computational and latency overheads, hindering the practical deployment of LRMs. This work presents a new approach to mitigating overthinking in LRMs via black-box persuasive prompting. By treating LRMs as black-box communicators, we investigate how to persuade them to generate concise responses without compromising accuracy. We introduce Whisper, an iterative refinement framework that generates high-quality persuasive prompts from diverse perspectives. Experiments across multiple benchmarks demonstrate that Whisper consistently reduces token usage while preserving performance. Notably, Whisper achieves a 3x reduction in average response length on simple GSM8K questions for the Qwen3 model series and delivers an average ~40% token reduction across all benchmarks. For closed-source APIs, Whisper reduces token usage on MATH-500 by 46% for Claude-3.7 and 50% for Gemini-2.5. Further analysis reveals the broad applicability of Whisper across data domains, model scales, and families, underscoring the potential of black-box persuasive prompting as a practical strategy for enhancing LRM efficiency.
Authors: Nicol\`o Oreste Pinciroli Vago, Juan Rafael Mart\'inez-Galarza, Roberta Amato
Abstract: Spectral signatures are crucial in the era of large X-ray surveys. Automatic machine learning methods have proven useful in this respect, but so far they have not been applied to large spectral datasets, such as the Chandra Source Catalog (CSC). This work aims to develop a compact and physically meaningful representation of Chandra X-ray spectra using deep learning. To verify that the learned representation captures relevant information, we evaluate it through classification, regression, and interpretability analyses, and measure the mutual information between spectral and time-domain properties of these sources, aiding in the future identification of transient events. We use a transformer-based autoencoder to compress X-ray spectra into representations in an 8-dimensional latent space. Astrophysical source types and physical summary statistics are compiled from external catalogs. We evaluate the learned representation in terms of spectral reconstruction accuracy, clustering performance on 8 known astrophysical source classes, and correlation with physical quantities such as hardness ratios and hydrogen column densities ($N_H$). Upon reconstruction, clustering in the latent space yields a balanced classification accuracy of $\sim$40% across the 8 source classes, increasing to $\sim$69% when restricted to AGNs and stellar-mass compact objects exclusively. Moreover, latent features correlate with spectral and temporal properties, suggesting that the compressed representation captures physically relevant information. Features learned directly from X-ray spectra capture relevant physical information as effectively as human-extracted features that require additional computations. They can be used for both classification and regression in large surveys, and also share mutual information with time-domain properties. The method can be adapted to existing and upcoming X-ray catalogs.
Authors: Xiao Sun
Abstract: Affective computing has matured rapidly in laboratory settings, yet no prior dataset combines (i) months-to-years of duration, (ii) a naturalistic workplace context, (iii) a stable small-team social structure, and (iv) a fully passive sensing protocol that survives institutional review. We introduce WELD, the first dataset to satisfy all four. WELD comprises 733,780 per-frame seven-class facial-expression probability vectors from 49 employees of a Chinese software company over 30.1 months (Nov 2021 - May 2024) -- the longest naturalistic in-the-wild emotion corpus and the only multi-year corpus supporting both within-individual longitudinal and within-team relational analyses on the same subjects. Data are released under a four-tier access model with only aggregated probabilities publicly downloadable. We validate the corpus by replicating three established phenomena (+43.1% weekend valence boost; 13:00-trough diurnal cycle; Shanghai 2022 lockdown effect d=-0.40), and report four novel findings: (1) variance decomposition attributes 19.3% of daily-valence variance to between-person differences and 29.8% to month seasonality -- a quantitative ceiling for future predictive models; (2) Hidden Markov decomposition reveals six emotional regimes with asymmetric negative-state dwell times (16-18 d vs 3 d); (3) leave-one-person-out turnover prediction reaches AUC=0.79 yet a Cox concordance index of only 0.52, exposing a metric-trap when AUC is reported without survival-aware baselines; (4) the corpus reveals systematic over-prediction of "angry" by an off-the-shelf FER model on neutral Asian faces (0.194 vs ~0.05 Western priors), making WELD valuable for FER fairness audits. A complex-systems analysis of the corpus appears as a companion preprint (arXiv:2510.16046).
Authors: Zhilin Wang, Jaehun Jung, Ximing Lu, Shizhe Diao, Ellie Evans, Jiaqi Zeng, Pavlo Molchanov, Yejin Choi, Jan Kautz, Yi Dong
Abstract: Evaluating progress in large language models (LLMs) is often constrained by the challenge of verifying responses, limiting assessments to tasks like mathematics, programming, and short-form question-answering. However, many real-world applications require evaluating LLMs in processing professional documents, synthesizing information, and generating comprehensive reports in response to user queries. We introduce ProfBench: a set of over 7000 response-criterion pairs as evaluated by human-experts with professional knowledge across Physics PhD, Chemistry PhD, Finance MBA and Consulting MBA. We build robust and affordable LLM-Judges to evaluate ProfBench rubrics, by mitigating self-enhancement bias and reducing the cost of evaluation by 2-3 orders of magnitude, to make it fair and accessible to the broader community. Our findings reveal that ProfBench poses significant challenges even for state-of-the-art LLMs, with top-performing models like GPT-5-high achieving only 65.9% overall performance. Furthermore, we identify notable performance disparities between proprietary and open-weight models and provide insights into the role that extended thinking plays in addressing complex, professional-domain tasks. Data: https://huggingface.co/datasets/nvidia/ProfBench and Code: https://github.com/NVlabs/ProfBench and Leaderboard: https://huggingface.co/spaces/nvidia/ProfBench
URLs: https://huggingface.co/datasets/nvidia/ProfBench, https://github.com/NVlabs/ProfBench, https://huggingface.co/spaces/nvidia/ProfBench
Authors: Jian Gu, Aldeida Aleti, Chunyang Chen, Hongyu Zhang
Abstract: Language Models (LMs) encode substantial knowledge in their parameters, yet it remains unclear how to transfer such knowledge in a fine-grained manner, namely parametric knowledge transfer (PKT). A central challenge is to make cross-scale transfer effective and efficient when source and target models differ in architecture and parameterization, making direct parameter reuse strongly limited by neural incompatibility. In this paper, we identify latent semantic alignment as the key prerequisite for cross-scale knowledge transfer. Instead of directly moving layer parameters, our approach uses activations as the transfer medium. \textsc{SemAlign} has two stages: an \emph{layer attribution} stage that attributes task-relevant source layers and selects exactly one source layer for each target layer, and a \emph{semantic alignment} stage that pairs them layer by layer and optimizes the target with source-side semantic supervision. The alignment is carried out in latent space through semantic decomposition and recomposition. During the shallow-to-deep transfer, only the frontier target layer is trainable. The layer objective supervises the residual contribution of that layer by matching centered token-token relation geometry against an aligned supervisory residual, while output KL preserves source-level predictive behavior. The transferred medium is therefore neither a parameter block nor an absolute hidden state, but target-space residual geometry induced by paired source-layer supervision. Evaluations on four benchmarks demonstrate the efficacy of \textsc{SemAlign}, and further analysis confirms that semantic decomposition and recomposition provide a stable mechanism for cross-scale knowledge transfer.
Authors: Tongyi DeepResearch Team, Baixuan Li, Bo Zhang, Dingchu Zhang, Fei Huang, Guangyu Li, Guoxin Chen, Huifeng Yin, Jialong Wu, Jingren Zhou, Kuan Li, Liangcai Su, Litu Ou, Liwen Zhang, Pengjun Xie, Rui Ye, Wenbiao Yin, Xinmiao Yu, Xinyu Wang, Xixi Wu, Xuanzhong Chen, Yida Zhao, Zhen Zhang, Zhengwei Tao, Zhongwang Zhang, Zile Qiao, Chenxi Wang, Donglei Yu, Gang Fu, Haiyang Shen, Jiayin Yang, Jun Lin, Junkai Zhang, Kui Zeng, Li Yang, Hailong Yin, Maojia Song, Ming Yan, Minpeng Liao, Peng Xia, Qian Xiao, Rui Min, Ruixue Ding, Runnan Fang, Shaowei Chen, Shen Huang, Shihang Wang, Shihao Cai, Weizhou Shen, Xiaobin Wang, Xin Guan, Xinyu Geng, Yingcheng Shi, Yuning Wu, Zhuo Chen, Zijian Li, Yong Jiang
Abstract: We present Tongyi DeepResearch, an agentic large language model, which is specifically designed for long-horizon, deep information-seeking research tasks. To incentivize autonomous deep research agency, Tongyi DeepResearch is developed through an end-to-end training framework that combines agentic mid-training and agentic post-training, enabling scalable reasoning and information seeking across complex tasks. We design a highly scalable data synthesis pipeline that is fully automatic, without relying on costly human annotation, and empowers all training stages. By constructing customized environments for each stage, our system enables stable and consistent interactions throughout. Tongyi DeepResearch, featuring 30.5 billion total parameters, with only 3.3 billion activated per token, achieves state-of-the-art performance across a range of agentic deep research benchmarks, including Humanity's Last Exam, BrowseComp, BrowseComp-ZH, WebWalkerQA, xbench-DeepSearch, FRAMES and xbench-DeepSearch-2510. We open-source the model, framework, and complete solutions to empower the community.
Authors: Andrew M. Bean, Nabeel Seedat, Shengzhuang Chen, Jonathan Richard Schwarz
Abstract: The prohibitive cost of evaluating large language models (LLMs) on comprehensive benchmarks necessitates the creation of small yet representative data subsets (i.e., tiny benchmarks) that enable efficient assessment while retaining predictive fidelity. Current methods for this task operate under a model-centric paradigm, selecting benchmarking items based on the collective performance of existing models. Such approaches are limited by large upfront costs, an inability to immediately handle new benchmarks ("cold-start"), and the fragile assumption that future models will share the failure patterns of their predecessors. In this work, we propose a new item-centric approach to benchmark subset selection, arguing that selection should be based on the intrinsic properties of the task items themselves, rather than on model-specific failure patterns. We instantiate this item-centric efficient benchmarking approach via a novel method, Scales++, where data selection is based on the cognitive demands of the benchmark samples. Empirically, we show Scales++ reduces the upfront selection cost by over 18x while achieving competitive predictive fidelity. On the Open LLM Leaderboard, using just a 0.25% data subset, we predict full benchmark scores with a 3.2% mean absolute error, and on Humanity's Last Exam we predict full scores with 2.9% mean absolute error using a 2.0% sample. We demonstrate that this item-centric approach enables more efficient model evaluation without significant fidelity degradation, while also providing better cold-start performance and more interpretable benchmarking.
Authors: Fayez Abu-Ajamieh, Shinsuke Kawai, Nobuchika Okada
Abstract: We revisit the fermion mass problem of the $SU(5)$ grand unified theory using machine learning techniques. The original $SU(5)$ model proposed by Georgi and Glashow is incompatible with the observed fermion mass spectrum. Two remedies are known to resolve this discrepancy, one is through introducing a new interaction via a 45-dimensional field, and the other via a 24-dimensional field. We investigate which modification is more beautiful, defining the beauty as proximity to the original Georgi-Glashow $SU(5)$ model. Our analysis shows that, in both supersymmetric and non-supersymmetric scenarios, the model incorporating the interaction with the 24-dimensional field is more beautiful under this criterion. We then generalise these models by introducing a continuous parameter $y$, which takes the value 3 for the 45-dimensional field and 1.5 for the 24-dimensional field. Numerical optimisation reveals that $y \approx 0.8$ yields the closest match to the original $SU(5)$ model, indicating that this value corresponds to the most beautiful model according to our definition.
Authors: Xinchen Yan, Chen Liang, Lijun Yu, Adams Wei Yu, Yifeng Lu, Quoc V. Le
Abstract: This paper investigates the scaling properties of autoregressive next-pixel prediction, a simple, end-to-end yet under-explored framework for unified vision models. Starting with images at resolutions of 32x32, we train a family of Transformers using IsoFlops profiles across compute budgets up to 7e19 FLOPs and evaluate three distinct target metrics: next-pixel prediction objective, ImageNet classification accuracy, and generation-based completion measured by Fr'echet Distance. First, optimal scaling strategy is critically task-dependent. At a fixed resolution of 32x32 alone, the optimal scaling properties for image classification and image generation diverge, where generation optimal setup requires the data size grow three to five times faster than for the classification optimal setup. Second, as image resolution increases, the optimal scaling strategy indicates that the model size must grow much faster than data size. Surprisingly, by projecting our findings, we discover that the primary bottleneck is compute rather than the amount of training data. As compute continues to grow four to five times annually, we forecast the feasibility of pixel-by-pixel modeling of images within the next five years.
Authors: Leander Girrbach, Zeynep Akata
Abstract: Sparse autoencoders (SAEs) are used to analyze embeddings, but their role and practical value are debated. We propose a new perspective on SAEs by demonstrating that they can be naturally understood as topic models. We propose a continuous topic model (CTM) inspired by Latent Dirichlet Allocation (LDA) for embedding spaces and derive the SAE objective as a maximum a posteriori estimator under this model. This view implies SAE features are thematic components rather than steerable directions. To confirm our theoretical findings, we introduce SAE-TM, a topic modeling framework that: (1) trains an SAE to learn reusable topic atoms, (2) interprets them as word distributions on downstream data, and (3) merges them into any number of topics without retraining. SAE-TM yields more coherent topics than strong baselines on text and image datasets while maintaining diversity. Finally, we analyze thematic structure in image datasets and trace topic changes over time in Japanese woodblock prints. Our work positions SAEs as effective tools for large-scale thematic analysis across modalities. Code is available at https://github.com/ExplainableML/SAE-TM .
Authors: Joonhyung Bae
Abstract: Bioart's hybrid nature spanning art, science, technology, ethics, and politics defies traditional single-axis categorization. I present BioArtlas, analyzing 81 bioart works across thirteen curated dimensions using novel axis-aware representations that preserve semantic distinctions while enabling cross-dimensional comparison. Our codebook-based approach groups related concepts into unified clusters, addressing polysemy in cultural terminology. Comprehensive evaluation of up to 800 representation-space-algorithm combinations identifies Agglomerative clustering at k=15 on 4D UMAP as optimal (silhouette 0.664 +/- 0.008, trustworthiness/continuity 0.805/0.812). The approach reveals four organizational patterns: artist-specific methodological cohesion, technique-based segmentation, temporal artistic evolution, and trans-temporal conceptual affinities. By separating analytical optimization from public communication, I provide rigorous analysis and accessible exploration through an interactive web interface (https://www.bioartlas.com) with the dataset publicly available (https://github.com/joonhyungbae/BioArtlas).
URLs: https://www.bioartlas.com), https://github.com/joonhyungbae/BioArtlas).
Authors: Tal Shuster, Eliya Nachmani
Abstract: Recent neural audio codecs have achieved impressive reconstruction quality, typically relying on quantization methods such as Residual Vector Quantization (RVQ), Vector Quantization (VQ) and Finite Scalar Quantization (FSQ). However, these quantization techniques limit the geometric structure of the latent space, make it harder to capture correlations between features leading to inefficiency in representation learning, codebook utilization and token rate. In this paper we introduce Two-Dimensional Quantization (Q2D2), a quantization scheme in which feature pairs are projected onto structured 2D grids, such as hexagonal, rhombic, or rectangular tiling and quantized to the nearest grid values, yielding an implicit codebook defined by the product of grid levels, with codebook sizes comparable to conventional methods. Despite its simple geometric formulation, Q2D2 improves audio compression efficiency, with low token rates and high codebook utilization while maintaining state of the art reconstruction quality. Specifically, Q2D2 achieves competitive to superior performance in various objective and subjective reconstruction metrics, across extensive experiments in speech, audio and music domains compared to state of the art models. Comprehensive ablation studies further confirm the effectiveness of our design choices.
Authors: Devansh Arpit
Abstract: We introduce test prediction variance (TPV)--the first-order sensitivity of a trained model's outputs to parameter perturbations--as a unifying framework for analyzing post-training robustness. TPV is a fully label-free object whose trace form separates the geometry of the trained model from the specific perturbation mechanism, placing SGD noise, label noise, quantization, and pruning under a single lens. The resulting expressions recover the wide-minima hypothesis for SGD and quantization noise, and yield a distinct Jacobian-spectral characterization for label noise connecting label-noise TPV with benign overfitting in nonlinear networks. Theoretically, we prove that training-set TPV converges to its test-set counterpart in the overparameterized limit, irrespective of generalization performance, providing the first result that prediction variance under local parameter perturbations can be inferred from training inputs alone. Empirically, this stability holds far more broadly, including at very low widths. Further, TPV correlates well with test loss, enabling practical applications: JBR, a label-free pruning criterion derived from TPV geometry matching state-of-the-art baselines; and training-set based model selection signal for in-distribution and transfer learning scenarios. Code available at github.com/devansharpit/TPV.
Authors: Naman Agarwal, Siddhartha R. Dalal, Vishal Misra
Abstract: Transformers empirically perform precise probabilistic reasoning in carefully constructed ``Bayesian wind tunnels'' and in large-scale language models, yet the mechanisms by which gradient-based learning creates the required internal geometry remain opaque. We provide a complete first-order analysis of how cross-entropy training reshapes attention scores and value vectors in a transformer attention head. Our core result is an \emph{advantage-based routing law} for attention scores, \[ \frac{\partial L}{\partial s_{ij}} = \alpha_{ij}\bigl(b_{ij}-\mathbb{E}_{\alpha_i}[b]\bigr), \qquad b_{ij} := u_i^\top v_j, \] coupled with a \emph{responsibility-weighted update} for values, \[ \Delta v_j = -\eta\sum_i \alpha_{ij} u_i, \] where $u_i$ is the upstream gradient at position $i$ and $\alpha_{ij}$ are attention weights. These equations induce a positive feedback loop in which routing and content specialize together: queries route more strongly to values that are above-average for their error signal, and those values are pulled toward the queries that use them. We show that this coupled specialization behaves like a two-timescale EM procedure: attention weights implement an E-step (soft responsibilities), while values implement an M-step (responsibility-weighted prototype updates), with queries and keys adjusting the hypothesis frame. Through controlled simulations, including a sticky Markov-chain task where we compare a closed-form EM-style update to standard SGD, we demonstrate that the same gradient dynamics that minimize cross-entropy also sculpt the low-dimensional manifolds identified in our companion work as implementing Bayesian inference. This yields a unified picture in which optimization (gradient flow) gives rise to geometry (Bayesian manifolds), which in turn supports function (in-context probabilistic reasoning).
Authors: Zijian Liu
Abstract: Optimization under heavy-tailed noise has become popular recently, since it better fits many modern machine learning tasks, as captured by empirical observations. Concretely, instead of a finite second moment on gradient noise, a bounded ${\frak p}$-th moment where ${\frak p}\in(1,2]$ has been recognized to be more realistic (say being upper bounded by $\sigma_{\frak l}^{\frak p}$ for some $\sigma_{\frak l}\ge0$). A simple yet effective operation, gradient clipping, is known to handle this new challenge successfully. Specifically, Clipped Stochastic Gradient Descent (Clipped SGD) guarantees a high-probability rate ${\cal O}(\sigma_{\frak l}\ln(1/\delta)T^{1/{\frak p}-1})$ (resp. ${\cal O}(\sigma_{\frak l}^2\ln^2(1/\delta)T^{2/{\frak p}-2})$) for nonsmooth convex (resp. strongly convex) problems, where $\delta\in(0,1]$ is the failure probability and $T\in\mathbb{N}$ is the time horizon. In this work, we provide a refined analysis for Clipped SGD and offer two rates, ${\cal O}(\sigma_{\frak l}d_{\rm eff}^{-1/2{\frak p}}\ln^{1-1/{\frak p}}(1/\delta)T^{1/{\frak p}-1})$ and ${\cal O}(\sigma_{\frak l}^2d_{\rm eff}^{-1/{\frak p}}\ln^{2-2/{\frak p}}(1/\delta)T^{2/{\frak p}-2})$, faster than the aforementioned best results, where $d_{\rm eff}\ge1$ is a quantity we call the $\textit{generalized effective dimension}$. Our analysis improves upon the existing approach on two sides: better utilization of Freedman's inequality and finer bounds for clipping error under heavy-tailed noise. In addition, we extend the refined analysis to convergence in expectation and obtain new rates that break the known lower bounds. Lastly, to complement the study, we establish new lower bounds for both high-probability and in-expectation convergence. Notably, the in-expectation lower bounds match our new upper bounds, indicating the optimality of our refined analysis for convergence in expectation.
Authors: Krishna Kumar
Abstract: Scientific machine learning (SciML) offers neural-network alternatives to numerical workflows in geotechnical engineering. This paper benchmarks multi-layer perceptrons (MLPs), physics-informed neural networks (PINNs), deep operator networks (DeepONet), and graph network simulators (GNS) against finite-difference and particle-based references on geotechnical benchmarks, and compares PINN inversion with automatic differentiation (AD) through a conventional solver. We evaluate each method for extrapolation, training, and inference cost, transfer across problem instances, and physics accuracy. An MLP trained on two years of Terzaghi consolidation fits the data, but at year ten predicts ~290 mm with ReLU and ~60 mm with tanh or sigmoid, against a reference of 99.3 mm. A PINN on a damped oscillator with a time domain inside [0,1] matches the closed form within that interval but fails outside, since the residual constrains the fit only where it is sampled. For the 1D wave equation, PINN training is ~96,000 times slower than finite-difference methods and less accurate. DeepONet avoids PINN retraining, yet for the beam on elastic foundation, its training cost equals ~1.8 million finite-difference solves, and inference is slower per query than the direct solver. GNS improves geometric transfer through local particle interactions, though formulations still need trajectories, large training sets, and substantial memory. In the inverse wave benchmark, AD through the finite-difference solver recovers the material profile in seconds with ~1% error. The results support a cautious role for SciML. Neural networks suit interpolation and pattern recognition inside validated domains, while inverse analysis should first try differentiable physics-based solvers when a reliable forward solver exists.
Authors: Basile Terver, Tsung-Yen Yang, Jean Ponce, Adrien Bardes, Yann LeCun
Abstract: A long-standing challenge in AI is to develop agents capable of solving a wide range of physical tasks and generalizing to new, unseen tasks and environments. A popular recent approach involves training a world model from state-action trajectories and subsequently use it with a planning algorithm to solve new tasks. Planning is commonly performed in the input space, but a recent family of methods has introduced planning algorithms that optimize in the learned representation space of the world model, with the promise that abstracting irrelevant details yields more efficient planning. In this work, we characterize models from this family as JEPA-WMs and investigate the technical choices that make algorithms from this class work. We propose a comprehensive study of several key components with the objective of finding the optimal approach within the family. We conducted experiments using both simulated environments and real-world robotic data, and studied how the model architecture, the training objective, and the planning algorithm affect planning success. We combine our findings to propose a model that outperforms two established baselines, DINO-WM and V-JEPA-2-AC, in both navigation and manipulation tasks. Code, data and checkpoints are available at https://github.com/facebookresearch/jepa-wms.
Authors: Mohammed Mudassir Uddin, Shahnawaz Alam, Mohammed Kaif Pasha, Dr Tasneem Bano Rehman, Dr Fahmina Taranum, Afroze Begum
Abstract: Farmers in remote areas need quick and reliable methods for identifying plant diseases, yet they often lack access to laboratories or high-performance computing resources. Deep learning models can detect diseases from leaf images with high accuracy, but these models are typically too large and computationally expensive to run on low-cost edge devices such as Raspberry Pi. Furthermore, collecting thousands of labeled disease images for training is both expensive and time-consuming. This paper addresses both challenges by combining neural network pruning, removing unnecessary parts of the model, with few-shot learning, which enables the model to learn from limited examples. This paper proposes Disease-Aware Channel Importance Scoring (DACIS), a method that identifies which parts of the neural network are most important for distinguishing between different plant diseases, integrated into a three-stage Prune-then-Meta-Learn-then-Prune (PMP) pipeline. Experiments on PlantVillage and PlantDoc datasets demonstrate that the proposed approach reduces model size by 78% while maintaining 92.3% of the original accuracy, with the compressed model running at 7 frames per second on a Raspberry Pi 4, making real-time field diagnosis practical for smallholder farmers.
Authors: Kaiyuan Deng, Bo Hui, Gen Li, Jie Ji, Minghai Qin, Geng Yuan, Xiaolong Ma
Abstract: The widespread adoption of text-to-image (T2I) diffusion models has raised concerns about their potential to generate copyrighted, inappropriate, or sensitive imagery. As a practical solution, machine unlearning aims to erase unwanted concepts without retraining from scratch. While most existing methods are effective for single-concept unlearning, they often struggle when removing multiple concepts, causing significant challenges in unlearning effectiveness, generation quality, and sensitivity to hyperparameters and datasets. We take a unique perspective on multi-concept unlearning by leveraging model sparsity and propose the Forget It All (FIA) framework. FIA first introduces Contrastive Concept Saliency to quantify each weight connection's contribution to a target concept. It then identifies Concept Sensitive Neurons by combining temporal and spatial information, ensuring that only neurons consistently responsive to the target concept are selected. Finally, FIA constructs masks from the identified neurons and fuses them into a unified multi-concept mask, where Concept Agnostic Neurons that broadly support general content generation are preserved while concept-specific neurons are pruned to remove the targets. FIA is training-free and requires minimal hyperparameter tuning for new tasks, enabling plug-and-play use. Extensive experiments across three distinct unlearning tasks demonstrate that FIA achieves more reliable multi-concept unlearning, improving forgetting effectiveness while maintaining generation fidelity and quality. Code is available at https://github.com/kaiyuan02415/Forget-It-All
Authors: Qikai Xiao, Kehui Li, Binggui Zhou, Shaodan Ma
Abstract: Future wireless communication systems will increasingly rely on the integration of millimeter wave (mmWave) and sub-6 GHz bands to meet heterogeneous demands on high-speed data transmission and extensive coverage. To fully exploit the benefits of mmWave bands in massive multiple-input multiple-output (MIMO) systems, highly accurate channel state information (CSI) is required. However, directly estimating the mmWave channel demands substantial pilot overhead due to the large CSI dimension and low signal-to-noise ratio (SNR) led by severe path loss and blockage attenuation. In this paper, we propose an efficient \textbf{M}ulti-\textbf{D}omain \textbf{F}usion \textbf{C}hannel \textbf{E}xtrapolator (MDFCE) to extrapolate sub-6 GHz band CSI to mmWave band CSI, so as to reduce the pilot overhead for mmWave CSI acquisition in dual band massive MIMO systems. Unlike traditional channel extrapolation methods based on mathematical modeling, the proposed MDFCE combines the mixture-of-experts framework and the multi-head self-attention mechanism to fuse multi-domain features of sub-6 GHz CSI, aiming to characterize the mapping from sub-6 GHz CSI to mmWave CSI effectively and efficiently. The simulation results demonstrate that MDFCE can achieve superior performance with less training pilots compared with existing methods across various antenna array scales and signal-to-noise ratio levels while showing a much higher computational efficiency.
Authors: Yixiao Peng, Hao Hu, Feiyang Li, Xinye Cao, Yingchang Jiang, Jipeng Tang, Guoshun Nan, Yuling Liu
Abstract: While virtualization and resource pooling empower cloud networks with structural flexibility and elastic scalability, they inevitably expand the attack surface and challenge cyber resilience. Reinforcement Learning (RL)-based defense strategies have been developed to optimize resource deployment and isolation policies under adversarial conditions, aiming to enhance system resilience by maintaining and restoring network availability. However, existing approaches lack robustness as they require retraining to adapt to dynamic changes in network structure, node scale, attack strategies, and attack intensity. Furthermore, the lack of Human-in-the-Loop (HITL) support limits interpretability and flexibility. To address these limitations, we propose CyberOps-Bots, a hierarchical multi-agent reinforcement learning framework empowered by Large Language Models (LLMs). Inspired by MITRE ATT&CK's Tactics-Techniques model, CyberOps-Bots features a two-layer architecture: (1) An upper-level LLM agent with four modules--ReAct planning, IPDRR-based perception, long-short term memory, and action/tool integration--performs global awareness, human intent recognition, and tactical planning; (2) Lower-level RL agents, developed via heterogeneous separated pre-training, execute atomic defense actions within localized network regions. This synergy preserves LLM adaptability and interpretability while ensuring reliable RL execution. Experiments on real cloud datasets show that, compared to state-of-the-art algorithms, CyberOps-Bots maintains network availability 68.5% higher and achieves a 34.7% jumpstart performance gain when shifting the scenarios without retraining. To our knowledge, this is the first study to establish a robust LLM-RL framework with HITL support for cloud defense.
Authors: Ashutosh Hathidara, Julien Yu, Vaishali Senthil, Sebastian Schreiber, Anil Babu Ankisettipalli
Abstract: Large language models (LLMs) are increasingly used as human simulators, both for evaluating conversational systems and for generating fine-tuning data. However, naive "act-as-a-user" prompting often yields verbose, unrealistic utterances, motivating principled evaluation of *user proxy agents*. We present **MirrorBench**, a reproducible and extensible benchmarking framework that evaluates user proxies solely on their ability to produce human-like user utterances across diverse conversational regimes, explicitly decoupled from downstream task success. **MirrorBench** combines three lexical-diversity metrics (**MATTR**, **Yule's~$K$**, and **HD-D**) with three LLM-judge-based metrics (**GTEval**, **Pairwise Indistinguishability**, and **Rubric-and-Reason**), and contextualizes judge scores using Human-Human and Proxy-Proxy calibration controls. Across four public datasets, **MirrorBench** yields variance-aware comparisons and reveals systematic gaps between user proxies and real human users. The framework is open sourced at https://github.com/SAP/mirrorbench and includes a command-line interface for running and managing user-proxy benchmarking experiments.
Authors: Mengyu Sun, Ziyuan Yang, Andrew Beng Jin Teoh, Junxu Liu, Haibo Hu, Yi Zhang
Abstract: Concept erasure aims to suppress sensitive content in diffusion models, but recent studies show that erased concepts can still be reawakened, revealing vulnerabilities in erasure methods. Existing reawakening methods mainly rely on prompt-level optimization to manipulate sampling trajectories, neglecting other generative factors, which limits a comprehensive understanding of the underlying dynamics. In this paper, we model the generation process as an implicit function to enable a comprehensive theoretical analysis of multiple factors, including text conditions, model parameters, and latent states. We theoretically show that perturbing each factor can reawaken erased concepts. Building on this insight, we propose a novel concept reawakening method: Latent space Unblocking for concept REawakening (LURE), which reawakens erased concepts by reconstructing the latent space and guiding the sampling trajectory. Specifically, our semantic re-binding mechanism reconstructs the latent space by aligning denoising predictions with target distributions to reestablish severed text-visual associations. However, in multi-concept scenarios, naive reconstruction can cause gradient conflicts and feature entanglement. To address this, we introduce Gradient Field Orthogonalization, which enforces feature orthogonality to prevent mutual interference. Additionally, our Latent Semantic Identification-Guided Sampling (LSIS) ensures stability of the reawakening process via posterior density verification. Extensive experiments demonstrate that LURE enables simultaneous, high-fidelity reawakening of multiple erased concepts across diverse erasure tasks and methods.
Authors: Ryan Lopez, Charlotte Loh, Rumen Dangovski, Marin Solja\v{c}i\'c
Abstract: Active learning for photonic crystals explores the integration of analytic approximate Bayesian last layer neural networks (LL-BNNs) with uncertainty-driven sample selection to accelerate photonic band gap prediction. We employ an analytic LL-BNN formulation, corresponding to the infinite Monte Carlo sample limit, to obtain uncertainty estimates that are strongly correlated with the true predictive error on unlabeled candidate structures. These uncertainty scores drive an active learning strategy that prioritizes the most informative simulations during training. Applied to the task of predicting band gap sizes in two-dimensional, two-tone photonic crystals, our approach achieves up to a 2.7x reduction on average in required training data compared to a random sampling baseline while maintaining predictive accuracy. The efficiency gains arise from concentrating computational resources on high uncertainty regions of the design space rather than sampling uniformly. Given the substantial cost of full band structure simulations, especially in three dimensions, this data efficiency enables rapid and scalable surrogate modeling. Our results suggest that analytic LL-BNN based active learning can substantially accelerate topological optimization and inverse design workflows for photonic crystals, and more broadly, offers a general framework for data efficient regression across scientific machine learning domains.
Authors: Hannah Cyberey, Yangfeng Ji, David Evans
Abstract: Algorithmic audits are essential tools for examining systems for properties required by regulators or desired by operators. Current audits of large language models (LLMs) primarily rely on black-box evaluations that assess model behavior only through input-output testing. These methods are limited to tests constructed in the input space, often generated by heuristics. In addition, many socially relevant model properties (e.g., gender bias) are abstract and difficult to measure through text-based inputs alone. To address these limitations, we propose a white-box sensitivity auditing framework for LLMs that leverages activation steering to conduct more rigorous assessments through model internals. Our auditing method conducts internal sensitivity tests by manipulating key concepts relevant to the model's intended function for the task. We demonstrate its application to bias audits in four simulated high-stakes LLM decision tasks. Our method consistently indicates substantial dependence on protected attributes in model predictions, even in settings where standard black-box evaluations suggest little or no bias. Our code is openly available at https://github.com/hannahxchen/llm-steering-audit
Authors: Adam Remaki, Christel G\'erardin, Eul\`alia Farr\'e-Maduell, Martin Krallinger, Xavier Tannier
Abstract: We present SynCABEL (Synthetic Contextualized Augmentation for Biomedical Entity Linking), a framework that addresses a central bottleneck in supervised biomedical entity linking (BEL): the scarcity of expert-annotated training data. SynCABEL leverages large language models to generate context-rich synthetic training examples for all candidate concepts in a target knowledge base, providing broad supervision without manual annotation. We demonstrate that SynCABEL, when combined with decoder-only models and guided inference, establishes new state-of-the-art results across three widely used multilingual benchmarks: MedMentions for English, QUAERO for French, and SPACCC for Spanish. Evaluating data efficiency, we show that SynCABEL reaches the performance of full human supervision using up to 60% less annotated data, substantially reducing reliance on labor-intensive and costly expert labeling. Finally, acknowledging that standard evaluation based on exact code matching often underestimates clinically valid predictions due to ontology redundancy, we introduce an LLM-as-a-judge protocol. This analysis reveals that SynCABEL significantly improves the rate of clinically valid predictions. Our synthetic datasets, models, and code are released to support reproducibility and future research.
Authors: Youguang Chen, George Biros
Abstract: We study sampling from posterior distributions in Bayesian linear inverse problems where $A$, the parameters to observables operator, is computationally expensive. In many applications, $A$ can be factored in a manner that facilitates the construction of a cost-effective approximation $\tilde{A}$. In this framework, we introduce Latent-IMH, a sampling method based on the Metropolis-Hastings independence (IMH) sampler. Latent-IMH first generates intermediate latent variables using the approximate $\tilde{A}$, and then refines them using the exact $A$. Its primary benefit is that it shifts the computational cost to an offline phase. We theoretically analyze the performance of Latent-IMH using KL divergence and mixing time bounds. Using numerical experiments on several model problems, we show that, under reasonable assumptions, it outperforms state-of-the-art methods such as the No-U-Turn sampler (NUTS) in computational efficiency. In some cases, Latent-IMH can be orders of magnitude faster than existing schemes.
Authors: Junxian Liu, Hao Zeng, Hongxin Wei
Abstract: Conformal Prediction (CP) provides a statistical framework for uncertainty quantification that constructs prediction sets with coverage guarantees. While CP yields uncontrolled prediction set sizes, Backward Conformal Prediction (BCP) inverts this paradigm by enforcing a predefined upper bound on set size and estimating the resulting coverage guarantee. However, the looseness induced by Markov's inequality within the BCP framework causes a significant gap between the estimated coverage bound and the empirical coverage. In this work, we introduce ST-BCP, a novel method that introduces a data-dependent transformation of nonconformity scores to narrow the coverage gap. In particular, we develop a computable transformation and prove that it outperforms the baseline identity transformation. Extensive experiments demonstrate the effectiveness of our method, reducing the average coverage gap from 4.20\% to 1.12\% on common benchmarks.
Authors: Wei Liu, Peijie Yu, Michele Orini, Yali Du, Yulan He
Abstract: The agency expected of Agentic Large Language Models goes beyond answering correctly, requiring autonomy to set goals and decide what to explore. We term this investigatory intelligence, distinguishing it from executional intelligence, which merely completes assigned tasks. Data Science provides a natural testbed, as real-world analysis starts from raw data rather than explicit queries, yet few benchmarks focus on it. To address this, we introduce Deep Data Research (DDR), an open-ended task where LLMs autonomously extract key insights from databases, and DDR-Bench, a large-scale, checklist-based benchmark that enables verifiable evaluation. Results show that while frontier models display emerging agency, long-horizon exploration remains challenging. Our analysis highlights that effective investigatory intelligence depends not only on agent scaffolding or merely scaling, but also on intrinsic strategies of agentic models.
Authors: Julian Lemmel, Felix Resch, M\'onika Farsang, Ramin Hasani, Daniela Rus, Radu Grosu
Abstract: We study online fine-tuning of pretrained control policies for autonomous driving using Real-Time Recurrent Reinforcement Learning (RTRRL), a memory-efficient algorithm that updates policy parameters at every time step without backpropagation through time. We extend RTRRL to support LrcSSM, a recently proposed nonlinear diagonal state-space model, and combine offline behavioral cloning with online RTRRL fine-tuning to adapt policies to distribution shifts at deployment. We validate the approach in the CarRacing simulation and on a 1:10-scale RoboRacer platform equipped with an event camera, where a pretrained policy is fine-tuned online during real-world line-following. To our knowledge, this is the first demonstration of online RL fine-tuning with event-camera observations on standard (non-spiking) hardware in closed-loop control. LrcSSM-based policies improve fastest and most consistently across both settings.
Authors: Yang Wan, Zheng Cao, Zhenhao Zhang, Zhengwen Zeng, Shuheng Shen, Changhua Meng, Linchao Zhu
Abstract: Large language models excel as few-shot learners when provided with appropriate demonstrations, yet this strength becomes problematic in multiturn agent scenarios, where LLMs erroneously mimic their own previous responses as few-shot examples. Through attention analysis, we identify conversational inertia, a phenomenon where models exhibit strong diagonal attention to previous responses, which is associated with imitation bias that constrains exploration. This reveals a tension when transforming few-shot LLMs into agents: longer context enriches environmental feedback for exploitation, yet also amplifies conversational inertia that undermines exploration. Our key insight is that for identical states, actions generated with longer contexts exhibit stronger inertia than those with shorter contexts, enabling construction of preference pairs without environment rewards. Based on this, we propose Context Preference Learning to calibrate model preferences to favor low-inertia responses over highinertia ones. We further provide context management strategies at inference time to balance exploration and exploitation. Experimental results across eight agentic environments and one deep research scenario validate that our framework reduces conversational inertia and achieves performance improvements.
Authors: Nicholas Barnfield, Subhabrata Sen, Pragya Sur
Abstract: Recent progress has rapidly advanced our understanding of the mechanisms underlying in-context learning in modern attention-based neural networks. However, existing results focus exclusively on unimodal data; in contrast, the theoretical underpinnings of in-context learning for multi-modal data remain poorly understood. We introduce a mathematically tractable framework for studying multi-modal learning and explore when transformer-like architectures can recover Bayes-optimal performance in-context. To model multi-modal problems, we assume the observed data arises from a latent factor model. Our first result comprises a negative take on expressibility: we prove that single-layer, linear self-attention fails to recover the Bayes-optimal predictor uniformly over the task distribution. To address this limitation, we introduce a novel, linearized cross-attention mechanism, which we study in the regime where both the number of cross-attention layers and the context length are large. We show that this cross-attention mechanism is provably Bayes optimal when optimized using gradient flow. Our results underscore the benefits of depth for in-context learning and establish the provable utility of cross-attention for multi-modal distributions.
Authors: Ye He, Krishnakumar Balasubramanian, Sayan Banerjee, Promit Ghosal
Abstract: We derive finite-particle rates for the regularized Stein variational gradient descent (R-SVGD) algorithm introduced by He et al. (2024) that corrects the constant-order bias of the SVGD by applying a resolvent-type preconditioner to the kernelized Wasserstein gradient. For the resulting interacting $N$-particle system, we establish explicit non-asymptotic bounds for time-averaged (annealed) empirical measures, illustrating convergence in the \emph{true} (non-kernelized) Fisher information and, under a $\mathrm{W}_1\mathrm{I}$ condition on the target, corresponding $\mathrm{W}_1$ convergence for a large class of smooth kernels. Our analysis covers both continuous- and discrete-time dynamics and yields principled tuning rules for the regularization parameter, step size, and averaging horizon that quantify the trade-off between approximating the Wasserstein gradient flow and controlling finite-particle estimation error.
Authors: Tobias Brock, Thomas Nagler
Abstract: Weighted empirical risk minimization is a common approach to prediction under distribution drift. This article studies its out-of-sample prediction error under nonstationarity. We provide a general decomposition of the excess risk into a learning term and an error term associated with distribution drift, and prove oracle inequalities for the learning error under mixing conditions. The learning bound holds uniformly over arbitrary weight classes and accounts for the effective sample size induced by the weight vector, the complexity of the weight and hypothesis classes, and potential data dependence. We illustrate the applicability and sharpness of our results in (auto-) regression problems with linear models, basis approximations, and neural networks, recovering minimax-optimal rates (up to logarithmic factors) when specialized to unweighted and stationary settings.
Authors: Keonyoung Koh, Moonkyeong Jung, Samuel Seungsup Lee, Daehyung Park
Abstract: We address the over-constrained planning problem in semi-static environments. The planning objective is to find a best-effort solution that avoids all hard constraint regions while minimally traversing the least risky areas. Conventional methods often rely on pre-defined area costs, limiting generalizations. Further, the spatial continuity of navigation spaces makes it difficult to identify regions that are passable without overestimation. To overcome these challenges, we propose SuReNav, a superpixel graph-based constraint relaxation and navigation method that imitates human-like safe and efficient navigation. Our framework consists of three components: 1) superpixel graph map generation with regional constraints, 2) regional-constraint relaxation using graph neural network trained on human demonstrations for safe and efficient navigation, and 3) interleaving relaxation, planning, and execution for complete navigation. We evaluate our method against state-of-the-art baselines on 2D semantic maps and 3D maps from OpenStreetMap, achieving the highest human-likeness score of complete navigation while maintaining a balanced trade-off between efficiency and safety. We finally demonstrate its scalability and generalization performance in real-world urban navigation with a quadruped robot, Spot. Code and Videos are available at https://sure-nav.github.io/.
Authors: Milan Ganai, Katie Luo, Jonas Frey, Clark Barrett, Marco Pavone
Abstract: Embodied Chain-of-Thought (CoT) reasoning has significantly enhanced Vision-Language-Action (VLA) models, yet current methods rely on rigid templates to specify reasoning primitives (e.g., objects in the scene, high-level plans, structural affordances). These templates can force policies to process irrelevant information that distracts from critical action-prediction signals. This creates a bottleneck: without successful policies, we cannot verify reasoning quality; without quality reasoning, we cannot build robust policies. We introduce R&B-EnCoRe, which enables models to bootstrap embodied reasoning from internet-scale knowledge through self-supervised refinement. By treating reasoning as a latent variable within importance-weighted variational inference, models can generate and distill a refined reasoning training dataset of embodiment-specific strategies without external rewards, verifiers, or human annotation. We validate R&B-EnCoRe across manipulation (Franka Panda in simulation, WidowX in hardware), legged navigation (bipedal, wheeled, bicycle, quadruped), and autonomous driving embodiments using various VLA architectures with 1B, 4B, 7B, and 30B parameters. Our approach achieves 28% gains in manipulation success, 101% improvement in navigation scores, and 21% reduction in collision-rate metric over models that indiscriminately reason about all available primitives. R&B-EnCoRe enables models to distill reasoning that is predictive of successful control, bypassing manual annotation engineering while grounding internet-scale knowledge in physical execution.
Authors: Abu Masum, Mehran Moghadam, M. Hassan Najafi, Bige Unluturk, Ulkuhan Guler, Beth A. Beidleman, Sercan Aygun
Abstract: Objective: Acute mountain sickness (AMS) is the most prevalent altitude illness, affecting unacclimatized individuals ascending above 2,500 m and potentially escalating to life threatening cerebral or pulmonary edema. Conventional machine learning (ML) methods for AMS detection from wearable physiological signals often fail to meet real-time hardware efficiency requirements of continuous monitoring. Methods: We present AMS-HD, the first hyperdimensional computing (HDC)-based framework for real-time AMS detection, spanning high- level bipolar (-1/+1) computing for mobile platforms and low-level binary (0/1) computing for FPGA and ASIC targets. The framework integrates mutual information feature selection, hypervector encoding, and positional projection to enhance classification efficiency. Validation spans ARM, FPGA, and smartwatch-smartphone platforms using wearable-accessible SpO2 and heart rate signals. Results: AMS-HD matches or outperforms SVM and MLP baselines in both binary and multiclass classification, achieving up to 91% accuracy and 90% F1-score in binary classification, and up to 85% accuracy on external AMS-related datasets. On FPGA, AMS-HD reduces LUT and flip-flop usage by 7.3x and 5.8x, while consuming 3.9x less power than MLP. On mobile platforms, AMS-HD requires only 1% battery per session, 60 Bytes of memory, and 2.50 ms inference time--approximately 2x and more than 3x lower energy consumption than SVM and MLP. Conclusion: AMS-HD provides a scalable, hardware-aware alternative to conventional ML for real-time AMS monitoring, achieving competitive performance with substantially lower resource consumption. Significance: This work presents the first complete HDC framework for altitude sickness detection, bridging wearable inference and low-level hardware deployment for resource-constrained health monitoring.
Authors: Daniel Kaiser, Arnoldo Frigessi, Ali Ramezani-Kebrya, Benjamin Ricaud
Abstract: As reasoning LLMs increasingly trade tokens for accuracy through deliberation, search, and self-correction, a single accuracy score can no longer tell whether those tokens buy useful reasoning, recovery from hard instances, or unnecessary verbosity. We introduce a trace-optional evaluation protocol that exactly decomposes token efficiency using three observables available even for closed models: completion rate, conditional correctness given completion, and generated length. When instance-level workload metadata is available, we further normalize generated length by declared task-implied work and separate mean verbalization overhead from workload-dependent scaling. When such metadata is absent, we define an auditable solver-derived workload scale and evaluate its stability under leave-self-out, leave-top-k, and held-out-reference-pool perturbations. We evaluate 14 shared open-weight models on CogniLoad, GSM8K, ProofWriter, and ZebraLogic. We further evaluate 11 additional models on CogniLoad, enabling a fine-grained analysis of reasoning-task difficulty factors: task length, intrinsic difficulty, and distractor density. Efficiency and overhead rankings remain stable across all benchmark pairs, more robustly than accuracy rankings, while the decomposition separates logic-limited, context-limited (truncation-driven), and verbosity-limited failure modes that look identical under accuracy-per-token. We release an evaluation artifact and reporting template, which elaborates on why an LLM is inefficient at reasoning.
Authors: Yifan Chen, Eric Vanden-Eijnden
Abstract: We construct and analyze generative diffusions that transport a point mass to a prescribed target distribution over a finite time horizon using the stochastic interpolant framework. The drift is expressed as a conditional expectation that can be estimated from independent samples without simulating stochastic processes. We show that the diffusion coefficient can be tuned \emph{a~posteriori} without changing the time-marginal distributions. Among all such tunings, we prove that minimizing the impact of estimation error on the path-space Kullback--Leibler divergence selects, in closed form, a F\"ollmer process -- a diffusion whose path measure minimizes relative entropy with respect to a reference process determined by the interpolation schedules alone. This yields a new variational characterization of F\"ollmer processes, complementing classical formulations via Schr\"odinger bridges and stochastic control. We further establish that, under this optimal diffusion coefficient, the path-space Kullback--Leibler divergence becomes independent of the interpolation schedule, rendering different schedules statistically equivalent in this variational sense. We provide numerical experiments to illustrate the impact of path-space variational optimality of F\"ollmer's processes in probabilistic forecasting and data assimilation applications.
Authors: Nivya Talokar, Ayush K Tarun, Murari Mandal, Maksym Andriushchenko, Antoine Bosselut
Abstract: LLM-based agents execute real-world workflows via tools and memory. These affordances enable ill-intended adversaries to also use these agents to carry out complex misuse scenarios. Existing agent misuse benchmarks largely test single-prompt instructions, leaving a gap in measuring how agents end up helping with harmful or illegal tasks over multiple turns. We introduce STING (Sequential Testing of Illicit N-step Goal execution), an automated red-teaming framework that constructs a step-by-step illicit plan grounded in a benign persona and iteratively probes a target agent with adaptive follow-ups, using judge agents to track phase completion. We further introduce an analysis framework that models multi-turn red-teaming as a time-to-first-jailbreak random variable, enabling analysis tools like discovery curves, hazard-ratio attribution by attack language, and a new metric: Restricted Mean Jailbreak Discovery. Across AgentHarm scenarios, STING yields substantially higher illicit-task completion than single-turn prompting and chat-oriented multi-turn baselines adapted to tool-using agents. In multilingual evaluations across six non-English settings, we find that attack success and illicit-task completion do not consistently increase in lower-resource languages, diverging from common chatbot findings. Overall, STING provides a practical way to evaluate and stress-test agent misuse in realistic deployment settings, where interactions are inherently multi-turn and often multilingual.
Authors: Wenxi Geng, Dingyuan Liu, Liya Li, Yiqing Wang
Abstract: Large language models (LLMs) have shown promise in translating model-based explanations into human-readable narratives. This study evaluates whether LLMs can serve as post-hoc explainability interfaces for credit risk models, focusing on their ability to preserve feature-importance rankings and generate autonomous explanations. Using a LendingClub dataset, we compare LLM outputs with SHAP and coefficient-based attributions on three major LLMs, including GPT-4-turbo, Claude-Sonnet-4.5, and Gemini-2.5-Flash. Results indicate that LLMs reliably reproduce reference rankings under controlled prompts but show limited alignment when generating explanations autonomously. These findings suggest that LLMs are best deployed as narrative interfaces rather than substitutes for formal attribution methods in credit risk governance.
Authors: Haitao Lin, Hanyang Yu, Jingshun Huang, He Zhang, Yonggen Ling, Ping Tan, Xiangyang Xue, Yanwei Fu
Abstract: Existing Vision-Language-Action (VLA) models often suffer from feature collapse and low training efficiency because they entangle high-level perception with sparse, embodiment-specific action supervision. Since these models typically rely on VLM backbones optimized for Visual Question Answering (VQA), they excel at semantic identification but often overlook subtle 3D state variations that dictate distinct action patterns. To resolve these misalignments, we propose Pose-VLA, a decoupled paradigm that separates VLA training into a pre-training phase for extracting universal 3D spatial priors in a unified camera-centric space, and a post-training phase for efficient embodiment alignment within robot-specific action space. By introducing discrete pose tokens as a universal representation, Pose-VLA seamlessly integrates spatial grounding from diverse 3D datasets with geometry-level trajectories from robotic demonstrations. Our framework follows a two-stage pre-training pipeline, establishing fundamental spatial grounding via poses followed by motion alignment through trajectory supervision. Extensive evaluations demonstrate that Pose-VLA achieves state-of-the-art results on RoboTwin 2.0 with a 79.5% average success rate and competitive performance on LIBERO at 96.0%. Real-world experiments further showcase robust generalization across diverse objects using only 100 demonstrations per task, validating the efficiency of our pre-training paradigm.
Authors: Hyeonje Choi, Jeongsoo Lee, Hyojun Lee, Jay-Yoon Lee
Abstract: We introduce \ToolMATH, a math-grounded diagnostic benchmark for evaluating long-horizon tool use under controllable tool-catalog conditions. \ToolMATH converts stepwise MATH solutions into reusable Python tools with natural-language descriptions and typed schemas, and pairs each problem with a tool environment requiring sequential tool use, intermediate-output reuse, and logically connected tool-call chains. \ToolMATH controls tool availability and catalog difficulty by constructing gold tools and graded distractors with varying similarity to gold tools. \ToolMATH also incorporates behavior-conditioned metrics, enabling diagnostic evaluation beyond final accuracy. Building on these measurements, \ToolMATH emphasizes three evaluation axes: (1) \emph{Adaptability} measures how much Gold-only success is retained when gold tools are replaced entirely by distractors; (2) \emph{Robustness} measures stability under adding distractors as a noise; and (3) \emph{Tool Connectivity} measures whether models preserve accuracy over long executed tool-call chains. Furthermore, trace-level failure analyses characterize how models fail under each tool-catalog condition. Together, these diagnostics reveal distinct model profiles: reliable tool use, tool avoidance, adaptive substitution, and impacts of unreliable tool catalogs. Overall, \ToolMATH provides a controlled testbed for evaluating how language models adapt to changing tool availability, remain robust to distractors, and maintain correctness across long-horizon tool-use trajectories.
Authors: Joshua Schulz, David Schote, Christoph Kolbitsch, Kostas Papafitsoros, Andreas Kofler
Abstract: State-of-the-art learned reconstruction methods often rely on black-box modules that, despite their strong performance, raise questions about their interpretability and robustness. Here, we build on a recently proposed image reconstruction method, which is based on embedding data-driven information into a model-based convolutional dictionary regularization via neural network-inferred spatially adaptive sparsity level maps. By means of improved network design and dedicated training strategies, we extend the method to achieve filter-permutation invariance as well as the possibility to change the convolutional dictionary at inference time. We apply our method to low-field MRI and compare it to several other recent deep learning-based methods, also on in vivo data, where the benefit of using a different dictionary is demonstrated. We further assess the method's robustness when tested on in- and out-of-distribution data. When tested on the latter, the proposed method suffers less from the data distribution shift compared to the other learned methods, which we attribute to its reduced reliance on training data due to its underlying model-based reconstruction component.
Authors: Yinan Zheng, Tianyi Tan, Bin Huang, Enguang Liu, Ruiming Liang, Jianlin Zhang, Jianwei Cui, Guang Chen, Kun Ma, Hangjun Ye, Long Chen, Ya-Qin Zhang, Xianyuan Zhan, Jingjing Liu
Abstract: Diffusion models have become a popular choice for decision-making tasks in robotics, and more recently, are also being considered for solving autonomous driving tasks. However, their applications and evaluations in autonomous driving remain limited to simulation-based or laboratory settings. The full strength of diffusion models for large-scale, complex real-world settings, such as End-to-End Autonomous Driving (E2E AD), remains underexplored. In this study, we conducted a systematic and large-scale investigation to unleash the potential of the diffusion models as planners for E2E AD, based on a tremendous amount of real-vehicle data and road testing. Through comprehensive and carefully controlled studies, we identify key insights into the diffusion loss space, trajectory representation, and data scaling that significantly impact E2E planning performance. Moreover, we also provide an effective reinforcement learning post-training strategy to further enhance the safety and robustness of the learned planner. The resulting diffusion-based learning framework, Hyper Diffusion Planner (HDP), is deployed on a real-vehicle platform and evaluated across 6 urban driving scenarios and 200 km of real-world testing, achieving a notable 10x performance improvement over the base model. Our work demonstrates that diffusion models, when properly designed and trained, can serve as effective and scalable E2E AD planners for complex, real-world autonomous driving tasks.
Authors: Alejandro H. Artiles, Martin Weiss, Levin Brinkmann, Iyad Rahwan, Bernhard Sch\"olkopf, Christopher Pal, Hugo Larochelle, Anirudh Goyal, Nasim Rahaman
Abstract: Scientific discovery is constrained not only by what is true, but by what is cognitively available to the researchers currently exploring a field. Many directions are coherent in light of the literature yet unlikely to be proposed because no existing community occupies the right combination of concepts, methods, and intuitions. Modern language models inherit this bias, recombining high-density regions of the literature when prompted for novel ideas. We introduce a framework that targets the complementary region, which we call the alien space of science, where directions are plausible under the structure of existing knowledge but unlikely under the distribution of existing researchers. Our method first decomposes papers into granular conceptual units and clusters them into a shared vocabulary of idea atoms. It then learns two complementary models over this vocabulary. A coherence model scores whether a combination of atoms forms a viable research direction, and an availability model scores whether any existing author community is positioned to produce a given combination. Sampling alien directions then reduces to ranking atom combinations that maximize coherence while minimizing availability. On a corpus of 16,068 peer-reviewed LLM papers from NeurIPS, ICLR, ICML, and major NLP venues, the resulting sampler explores a 3.5 - 7 x broader effective atom vocabulary than frontier LLM ideation baselines without sacrificing coherence, and produces ideas that match or exceed those baselines under blind LLM, human, and downstream experimental evaluation. By separating scientific plausibility from community availability, our framework points toward AI ideation that complements rather than merely accelerates human science, expanding exploration into coherent directions that the current community may overlook.
Authors: Chao Li, Tianhong Li, Sai Vidyaranya Nuthalapati, Hong-You Chen, Satya Narayan Shukla, Jianpeng Cheng, Yonghuan Yang, Jun Xiao, Xiangjun Fan, Aashu Singh, Dina Katabi, Shlok Kumar Mishra
Abstract: Unifying text-image contrastive learning and text-to-image (T2I) generation in a single end-to-end model is challenging because the two objectives demand opposing masking regimes: contrastive alignment needs near-complete visible tokens, while masked generative modeling needs heavy corruption. We introduce DREAM, a unified framework that resolves this conflict through Masking Warmup, a schedule that shifts the center of the masking distribution over training, so low and high masking ratios coexist at every step. This co-exposure lets a single jointly-trained encoder serve both objectives. The resulting stable optimization unlocks Semantically Aligned Decoding at inference: the text encoder, trained against visual embeddings at all masking ratios, can score partially generated images and select the best trajectory with as little as 12.5% of the image decoded, improving both FID and throughput. DREAM outperforms its single-objective baselines, CLIP and FLUID: on ImageNet linear-probing (+1.1%), 5-shot transfer (+4.1%), ADE20K segmentation (+1.9%), and NYU depth estimation (+6.25%) over CLIP, and on CC12M FID (+6.2%) over FLUID while maintaining CLIP Score. Together, these gains show that text-image contrastive and generative objectives, when properly unified, are synergistic rather than competing.
Authors: Baoqing Yue, Zihan Zhu, Yutong Han, Brian Fan, Qian Sun, Jichen Feng, Hufei Yang, Yifan Zhang, Mengdi Wang
Abstract: Existing reasoning evaluation paradigms suffer from different limitations: fixed benchmarks are increasingly saturated and vulnerable to contamination, while preference-based evaluations rely on subjective judgments. We argue that a core aspect of intelligence is the ability to decide what information to acquire and how to use it effectively. We propose Interactive Benchmarks, a unified evaluation paradigm that assesses a model's reasoning ability through budgeted multi-turn interaction. We evaluate models under this framework in two settings: Interactive Proofs, where models interact with a judge to solve Logic, UI2Html, and Mathematics tasks under objective feedback; and Interactive Games, where models reason strategically to maximize long-horizon utilities. Our results show that interactive benchmarks provide a more robust assessment of this dimension of model intelligence, revealing substantial room for improvement in interactive scenarios.
Authors: Zou Yang, Sophia Xiao, Bijan Mazaheri
Abstract: Many regulatory and analytic problems require that a prohibited variable influence a decision only through a designated allowable channel -- a conditional-independence requirement that arises in path-specific fairness, the handling of classified information, and the regulation of trading on non-public information, among other settings. Such requirements may be enforced either stratum-by-stratum or, more commonly (and more efficiently), through a single averaged constraint on the conditional effect. We study the resulting enforcement problem from two perspectives. From the regulator's side, we formulate causal masking as a linear program and show that averaged-constraint optimization almost surely produces policies that violate the stratum-wise requirement while satisfying the averaged one exactly. The gains from masking grow with confounding and outcome heterogeneity, and detection requires precisely the conditional-independence tests that average constraints aim to avoid. From the optimizer's side, the same construction shows that masked policies recover most of the reward of unconstrained exploitation while being far harder to detect, making them attractive in any setting where the basis of decisions is itself sensitive. Together, these results argue that regulating direct dependence through averaged statistics on observed decisions is structurally limited, and that meaningful enforcement must operate at the level of the decision rule itself.
Authors: Tong Li, Thiago de Queiroz Casanova, Eric M. Schwartz, Victor Kostyuk, Dehan Kong, Joseph J. Williams
Abstract: Real-world contextual bandit problems with complex reward models are often tackled with iteratively trained models, such as boosting trees. However, it is difficult to directly apply simple and effective exploration strategies--such as Thompson Sampling or UCB--on top of those black-box estimators. Existing approaches rely on sophisticated assumptions or intractable procedures that are hard to verify and implement in practice. In this work, we explore the use of an exploration-free (pure-greedy) action selection strategy, that exploits the randomness inherent in model fitting process as an intrinsic source of exploration. More specifically, we note that the stochasticity in cross-validation based regularization process can naturally induce Thompson Sampling-like exploration. We show that this regularization-induced exploration is theoretically equivalent to Thompson Sampling in the two-armed bandit case and empirically leads to reliable exploration in large-scale business environments compared to benchmark methods such as epsilon-greedy and other state-of-the-art approaches. Overall, our work reveals how regularized estimator training itself can induce effective exploration, offering both theoretical insight and practical guidance for contextual bandit design.
Authors: Nazia Riasat
Abstract: Generative models are increasingly deployed as substitutes for real data in downstream scientific workflows, yet standard evaluation criteria remain focused on marginal distribution matching. We argue that this represents a fundamental gap: downstream inference is rarely a marginal operation, and a model that passes every univariate diagnostic can still produce structurally unreliable synthetic data. We introduce covariance-level dependence fidelity, measured by D_Sigma(P,Q) = ||Sigma_P - Sigma_Q||_F, as a principled, computable criterion for evaluating whether a generative model preserves the joint structure of data beyond its univariate marginals. Three results formalise this criterion. First, marginal fidelity provides no constraint on dependence structure: D_Sigma can be made arbitrarily large while all univariate marginals match exactly. Second, covariance divergence induces quantifiable downstream instability, including sign reversals in population regression coefficients. Third, bounding D_Sigma provides positive stability guarantees for dependence-sensitive procedures such as PCA via Davis-Kahan-type bounds. Empirical validation across three domains, image data (Fashion-MNIST VAE, n = 60,000), bulk RNA-seq (TCGA-BRCA, n = 1,111), and a small-sample stress test (Alzheimer's gene expression, n = 113), shows that D_Sigma/delta consistently distinguishes structure-discarding from structure-preserving generators in cases where standard marginal diagnostics show little separation, confirming that covariance-level fidelity provides information orthogonal to existing evaluation metrics across domains and sample sizes.
Authors: Michael Hersche, Nicolas Menet, Ronan Tanios, Abbas Rahimi
Abstract: Diffusion language models (DLMs) have emerged as a promising alternative to autoregressive (AR) models, offering sub-linear generation latency and bidirectional capabilities that are particularly appealing for code generation and editing. Achieving sub-linear latency in discrete DLMs requires predicting multiple tokens in parallel. However, standard DLMs sample tokens independently from conditional marginal distributions, failing to capture the joint dependencies among concurrently generated tokens. As a result, they often lead to syntactic inconsistencies and break multi-token structures. In this work, we introduce CoDiLA (Coherent Diffusion with Local Autoregression), a method that reconciles parallel sampling with local dependency modeling. Rather than forcing the DLM to resolve fine-grained syntax, CoDiLA delegates local decoding to a small, auxiliary AR model operating on the diffusion latents. This design allows for parallel generation while ensuring sequential validity within a block and maintaining core DLM capabilities, including bidirectional modeling across blocks. We demonstrate that using a highly compact auxiliary AR model (e.g., 0.6B parameters) effectively eliminates coherence artifacts, establishing a new Pareto frontier for accuracy and speed in code generation benchmarks.
Authors: Erez Badash, Dan Boneh, Ilan Komargodski, Megha Srivastava
Abstract: We present Hawkeye, a system for analyzing and reproducing GPU-level arithmetic operations. Using our framework, anyone can re-execute on a CPU the exact matrix multiplication operations underlying a machine learning model training or inference workflow that was executed on an NVIDIA GPU, without any precision loss. This is in stark contrast to prior approaches to verifiable machine learning, which either introduce significant computation overhead to the original model owner, or suffer from non-robustness and quality degradation. The main technical contribution of Hawkeye is a systematic sequence of carefully crafted tests that study rounding direction, subnormal number handling, and order of (non-associative) accumulation during matrix multiplication on NVIDIA's Tensor Cores. We test and evaluate our framework on multiple NVIDIA GPU architectures ( Ampere, Hopper, and Lovelace) and precision types (FP16, BFP16, FP8). In all test cases, Hawkeye enables perfect reproduction of matrix multiplication on a CPU, paving the way for efficient and trustworthy third-party auditing of ML model training and inference. We provide source code for Hawkeye at https://github.com/badasherez/gpu-simulator.
Authors: Yuanhang Lei, Tao Cheng, Xingxuan Li, Boming Zhao, Siyuan Huang, Ruizhen Hu, Peter Yichen Chen, Hujun Bao, Zhaopeng Cui
Abstract: Achieving real-time physics-based animation that generalizes across diverse 3D shapes and discretizations remains a fundamental challenge. We introduce PhysSkin, a physics-informed framework that addresses this challenge. In the spirit of Linear Blend Skinning, we learn continuous skinning fields as basis functions lifting motion subspace coordinates to full-space deformation, with subspace defined by handle transformations. To generate mesh-free, discretization-agnostic, and physically consistent skinning fields that generalize well across diverse 3D shapes, PhysSkin employs a new neural skinning fields autoencoder which consists of a transformer-based encoder and a cross-attention decoder. Furthermore, we also develop a novel physics-informed self-supervised learning strategy that incorporates on-the-fly skinning-field normalization and conflict-aware gradient correction, enabling effective balancing of energy minimization, spatial smoothness, and orthogonality constraints. PhysSkin shows outstanding performance on generalizable neural skinning and enables real-time physics-based animation.
Authors: Demi\'an Fraiman
Abstract: Transformer architectures have achieved remarkable empirical success in modeling contextual relations, yet a clear understanding of their expressive power is still lacking. In this work, we introduce a measure-theoretic framework in which contextual relations are modeled as probabilistic objects, either as conditional distributions or as joint distributions (couplings). This perspective reveals a natural connection between standard softmax attention and entropy-regularized optimal transport, providing a unified view of attention as a normalization of an underlying affinity function. Within this framework, we establish a universal approximation theorem for contextual systems using standard Softmax Attention and alternately Sinkhorn normalization. These results show that Transformer architectures can approximate arbitrary contextual relations rules, and that the choice of normalization determines how these relations are represented. Moreover, they provide a principled explanation for why Transformers are effective at modeling contextual relations.
Authors: Kirill Skobelev, Eric Fithian, Yegor Baranovski, Jack Cook, Sandeep Angara, Shauna Otto, Zhuang-Fang Yi, John Zhu, Daniel A. Donoho, X. Y. Han, Neeraj Mainkar, Margaux Masson-Forsythe
Abstract: Recent Artificial Intelligence (AI) models have matched or exceeded human experts in several benchmarks of biomedical task performance, but surgical benchmarks in particular are often missing from prominent medical benchmark suites. Since surgery requires integrating disparate tasks, generally-capable AI models could be particularly attractive as a collaborative tool if performance could be improved. On the one hand, the canonical approach of scaling architecture size and training data is attractive, especially since there are millions of hours of surgical video data generated per year. On the other hand, preparing surgical data for AI training requires significantly higher levels of professional expertise, and training on that data requires expensive computational resources. These trade-offs paint an uncertain picture of whether and to-what-extent modern AI could aid surgical practice. In this paper, we explore this question through a case study of surgical tool detection using state-of-the-art AI methods available in 2026. We demonstrate that even with multi-billion parameter models and extensive training, current Vision Language Models fall short in the seemingly simple task of tool detection in neurosurgery. Additionally, we show scaling experiments indicating that increasing model size and training time only leads to diminishing improvements in relevant performance metrics. Thus, our experiments suggest that current models could still face significant obstacles in surgical use cases. Moreover, some obstacles cannot be simply ``scaled away'' with additional compute and persist across diverse model architectures, raising the question of whether data and label availability are the only limiting factors. We discuss the main contributors to these constraints and advance potential solutions.
Authors: Gilhan Kim, Daniel K. Park
Abstract: Energy-based models provide a natural bridge between statistical physics and machine learning by representing data through structured energy landscapes. Boltzmann machines are a particularly compelling class of such models for capturing complex interactions among latent variables, but their use in modern generative learning has been limited by the classical intractability of sampling from general (non-restricted) Boltzmann distributions. Here we develop a quantum-annealing-based framework that enables variational autoencoders with general Boltzmann priors. The framework employs three complementary annealing modes tailored to different stages of learning and deployment: diabatic quantum annealing provides unbiased Boltzmann samples for efficient training, slower annealing concentrates samples near low-energy configurations of the learned prior for unconditional generation, and conditional annealing with external fields steers the learned energy landscape toward attribute-specific regions for conditional generation and semantic editing. Using up to 2000 qubits on a D-Wave Advantage2 processor, we demonstrate stable training and high-quality generation on MNIST, Fashion-MNIST, and CelebA, achieving faster convergence and lower reconstruction loss than a Gaussian-prior VAE with the same encoder-decoder architecture. Beyond generation, the learned energy function provides out-of-distribution detection signals that add discriminative power beyond reconstruction loss. We demonstrate that these scores separate in-distribution samples from held-out digit classes in one-class MNIST experiments and improve the detection of market regime shifts in financial data. These results establish quantum annealing as a practical and controllable physical mechanism for energy-based representation learning and generative modeling beyond the reach of tractable classical approaches.
Authors: Jeremy Herbst, Stefan Wermter, Jae Hee Lee
Abstract: Mixture-of-Experts (MoE) architectures have become the dominant choice for scaling Large Language Models (LLMs), activating only a subset of parameters per token. While MoE architectures are primarily adopted for computational efficiency, it remains an open question whether their sparsity makes them inherently easier to interpret than dense feed-forward networks (FFNs). We compare MoE experts and dense FFNs using $k$-sparse probing and find that expert neurons are consistently less polysemantic, with the gap widening as routing becomes sparser. This suggests that sparsity pressures both individual neurons and entire experts toward monosemanticity. Leveraging this finding, we zoom out from the neuron to the expert level as a more effective unit of analysis. We validate this approach by automatically interpreting hundreds of experts. This analysis allows us to resolve the debate on specialization: experts are neither broad domain specialists (e.g., biology) nor simple token-level processors. Instead, they function as fine-grained task experts, specializing in linguistic operations or semantic tasks (e.g., closing brackets in $\LaTeX{}$). Our findings suggest that MoEs are inherently interpretable at the expert level, providing a clearer path toward large-scale model interpretability. Code is available at: https://github.com/jerryy33/MoE_analysis.
Authors: Pavel Perezhogin, Alistair Adcroft, Laure Zanna
Abstract: Global ocean models exhibit biases in the mean state and variability, particularly at coarse resolution, where mesoscale eddies are unresolved. To address these biases, parameterization coefficients are typically tuned ad hoc. Here, we formulate parameter tuning as a calibration problem using Ensemble Kalman Inversion (EKI). We optimize parameters of a neural network parameterization of mesoscale eddies in two idealized ocean models at coarse resolution. The calibrated parameterization reduces errors by factors of 1.7-3.3 in the time-averaged fluid interfaces and their variability compared to the unparameterized model, depending on the metric and configuration. The EKI method is robust to noise in time-averaged statistics arising from chaotic ocean dynamics. Furthermore, we propose an efficient calibration protocol that bypasses integration to statistical equilibrium by carefully choosing an initial condition. These results demonstrate that systematic calibration can substantially improve coarse-resolution ocean simulations and provide a practical pathway for reducing biases in global ocean models.
Authors: C\'esar Jes\'us N\'u\~nez-Prado, Grigori Sidorov, Liliana Chanona-Hern\'andez
Abstract: The identification of reliable molecular biomarkers for Parkinson's disease remains challenging due to its multifactorial nature. Although protein sequences constitute a fundamental and widely available source of biological information, their standalone discriminative capacity for complex disease classification remains unclear. In this work, we present a controlled and leakage-free evaluation of multiple representations derived exclusively from protein primary sequences, including amino acid composition, k-mers, physicochemical descriptors, hybrid representations, and embeddings from protein language models, all assessed under a nested stratified cross-validation framework to ensure unbiased performance estimation. The best-performing configuration (ProtBERT + MLP) achieves an F1-score of 0.704 +/- 0.028 and ROC-AUC of 0.748 +/- 0.047, indicating only moderate discriminative performance. Classical representations such as k-mers reach comparable F1 values (up to approximately 0.667), but exhibit highly imbalanced behavior, with recall close to 0.98 and precision around 0.50, reflecting a strong bias toward positive predictions. Across representations, performance differences remain within a narrow range (F1 between 0.60 and 0.70), while unsupervised analyses reveal no intrinsic structure aligned with class labels, and statistical testing (Friedman test, p = 0.1749) does not indicate significant differences across models. These results demonstrate substantial overlap between classes and indicate that primary sequence information alone provides limited discriminative power for Parkinson's disease classification. This work establishes a reproducible baseline and provides empirical evidence that more informative biological features, such as structural, functional, or interaction-based descriptors, are required for robust disease modeling.
Authors: Baran Hashemi
Abstract: Using FlowBoost, a closed-loop deep generative optimization framework for extremal structure discovery, we investigate $\ell^p$-generalizations of the finite free Stam inequality for real-rooted polynomials under finite free additive convolution $\boxplus_n$. At $p=2$, FlowBoost finds the Hermite pair as the unique equality case and reveals the spectral structure of the linearized convolution map at this extremal point. As a result, we conjecture that the singular values of the doubly stochastic coupling matrix $E_n$ on the mean-zero subspace are ${2^{-k/2}:k=1,\ldots,n-1}$, independent of $n$. Conditional on this conjecture, we obtain a sharp local stability constant and the finite free CLT convergence rate, both uniform in $n$. We introduce a one-parameter family of $p$-Stam inequalities using $\ell^p$-Fisher information and prove that the Hermite pair itself violates the inequality for every $p>2$, with the sign of the deficit governed by the $\ell^p$-contraction ratio of $E_n$. Systematic computation via FlowBoost supports the conjecture that $p^*\!=2$ is the sharp critical exponent. For $p<2$, the extremal configurations undergo a bifurcation, meaning that they become non-matching pairs with bimodal root structure, converging back to the Hermite diagonal only as $p\to 2^-$. Our findings demonstrate that FlowBoost, can be an effective tool of mathematical discovery in infinite-dimensional extremal problems.
Authors: Jinhang Chai, Jianqing Fan, Cheng Gao, Qishuo Yin
Abstract: Fine-tuning is a widely used strategy for adapting pre-trained models to new tasks, yet its methodology and theoretical properties in high-dimensional nonparametric settings with variable selection have not yet been developed. We propose a source-model-augmented residual tuning (SMART) framework, which incorporates the pre-trained source model as an augmented feature into the target learner and estimates only the residual target-specific component. The approach is widely applicable, from parametric and sparse models to neural networks and blackbox machine learning models. We focus on the development of fine-tuning factor-augmented neural Lasso, resulting in SMART-FAN-Lasso. This transfer-learning framework for high-dimensional nonparametric regression with variable selection simultaneously handles covariate and posterior shifts. We use a low-rank factor structure to manage high-dimensional dependent covariates and a residual tuning decomposition in which the target function is expressed as a function of source model and other target-specific variables, thereby reducing the effective complexity of the target task. We derive minimax-optimal excess risk bounds, characterizing the precise conditions, in terms of relative sample sizes and function complexities, under which fine-tuning yields statistical acceleration over single-task learning. Extensive numerical experiments across diverse covariate- and posterior-shift scenarios demonstrate that SMART-FAN-Lasso consistently outperforms standard baselines and achieves near-oracle performance even under severe target sample size constraints, empirically validating the derived rates.
Authors: Shaoyuan Huang, Yunfeng Zhao, Na Yan, Tiancheng Zhang, Xiaokai Wang, Xiaofei Wang, Wenyu Wang, Yansha Deng
Abstract: As Large Language Models (LLMs) are increasingly adopted in edge intelligence to power domain-specific applications and personalized services, the quality and efficiency of the LLM post-training phase-including fine-tuning and inference, have become critical due to constrained resources. Although recent advances in federated parameter-efficient fine-tuning (FL PEFT) and low-latency inference have improved individual task performance, fine-tuning and inference are still handled as isolated workloads, which overlooks their interdependence and results in redundant deployments and delayed improvement in inference quality. To address these limitations, we introduce a new co-execution framework and instantiate it with CoLLM, a system that unifies FL PEFT and inference on shared edge replicas and model parameters. CoLLM addresses key challenges at both replica and cluster levels through: (1) an intra-replica model sharing mechanism that enables real-time model parameter reuse via unmerged inference and shadow adapter strategies; and (2) a two-timescale inter-replica coordination algorithm that adaptively balances fine-tuning and inference workloads to jointly optimize long-term model quality gains and short-term inference efficiency. Extensive evaluation across diverse LLMs and real-world traces show that CoLLM consistently outperforms state-of-the-art LLM systems, achieving up to 3x higher goodput, demonstrating its effectiveness in enabling seamless LLM post-training for edge intelligence.
Authors: Daniel M. Jimenez-Gutierrez, Dario Pighin, Enrique Zuazua, Georgios Kellaris, Joaquin Del Rio, Oleksii Sliusarenko, Xabi Uribe-Etxebarria
Abstract: Federated Learning (FL) enables collaborative model training among multiple parties without centralizing raw data. There are two main paradigms in FL: Horizontal FL (HFL), where all participants share the same feature space but hold different samples, and Vertical FL (VFL), where parties possess complementary features for the same set of samples. A prerequisite for VFL training is privacy-preserving entity alignment (PPEA), which establishes a common index of samples across parties (alignment) without revealing which samples are shared between them. Conventional private set intersection (PSI) achieves alignment but leaks intersection membership, exposing sensitive relationships between datasets. The standard private set union (PSU) mitigates this risk by aligning on the union of identifiers rather than the intersection. However, existing approaches are often limited to two parties or lack support for typo-tolerant matching. In this paper, we introduce the Sherpa.ai multi-party PSU protocol for VFL, a PPEA method that hides intersection membership and enables both exact and noisy matching. The protocol generalizes two-party approaches to multiple parties with low communication overhead and offers two variants: an order-preserving version for exact alignment and an unordered version tolerant to typographical and formatting discrepancies. We prove correctness and privacy, analyze communication and computational (exponentiation) complexity, and formalize a universal index mapping from local records to a shared index space. This multi-party PSU offers a scalable, mathematically grounded protocol for PPEA in real-world VFL deployments, such as multi-institutional healthcare disease detection, collaborative risk modeling between banks and insurers, and cross-domain fraud detection between telecommunications and financial institutions, while preserving intersection privacy.
Authors: Konstantinos Ziliaskopoulos, Alexander Vinel
Abstract: We consider Decision-Focused Federated Learning (DFFL), a predict-then-optimize setting in which multiple clients collaboratively train predictive models for downstream linear optimization problems without exchanging raw data. Besides the data heterogeneity typical of standard federated learning, clients may also have different objective functions and feasible regions. Building on the SPO+ surrogate loss, we derive heterogeneity bounds that separate objective shift, measured through cost-vector distances, from feasible-set shift, measured through support-function and shape-distance terms. We show that, for general compact feasible sets, small objective perturbations can still induce nonvanishing decision-focused loss discrepancies, while strongly convex feasible regions yield sharper stability-based bounds. We then lift these pointwise bounds to a local-versus-federated excess-risk comparison, showing that federation is beneficial when the statistical advantage of pooling exceeds a client-specific heterogeneity penalty. Computational experiments on polyhedral and strongly convex problems confirm that federation is substantially more robust under strongly convex feasible regions. Finally, we evaluate a simple validation-based interpolation between local and federated DFFL models. This interpolation mitigates the theoretical tradeoff and reduces aggregate regret and worst-client harm in both synthetic experiments and a PJM energy-pricing case study.
Authors: Bishwamittra Ghosh, Soumi Das, Till Speicher, Qinyuan Wu, Mohammad Aflah Khan, Deepak Garg, Krishna P. Gummadi, Evimaria Terzi
Abstract: Large language models (LLMs) operate in two fundamental learning modes - fine-tuning (FT) and in-context learning (ICL) - raising key questions about which mode yields greater language proficiency and whether they differ in their inductive biases. Prior studies comparing FT and ICL have yielded mixed and inconclusive results due to inconsistent experimental setups. To enable a rigorous comparison, we propose a formal language learning task - offering precise language boundaries, controlled string sampling, and no data contamination - and introduce a discriminative test for language proficiency, where an LLM succeeds if it assigns higher generation probability to in-language strings than to out-of-language strings. Empirically, we find that: (a) FT has greater language proficiency than ICL on in-distribution generalization, but both perform equally well on out-of-distribution generalization. (b) Their inductive biases, measured by the correlation in string generation probabilities, are similar when both modes partially learn the language but diverge at higher proficiency levels. (c) Unlike FT, ICL performance differs substantially across models of varying sizes and families and is sensitive to the token vocabulary of the language. Thus, our work demonstrates the promise of formal languages as a controlled testbed for evaluating LLMs, behaviors that are difficult to isolate in natural language datasets. Our source code is available at https://github.com/bishwamittra/formallm.
Authors: Prajwal Panth, Nishant Nigam
Abstract: Financial fraud increasingly exploits institutional boundaries: laundering networks distribute transactions across multiple banks because no single institution can observe the full pattern. Federated Learning (FL) enables collaborative detection without raw data sharing, yet practical deployment in banking environments remains constrained by three pressures. First, homomorphic encryption schemes impose high computational costs that limit real-time aggregation at scale. Second, mask-based protocols such as Google's SecAgg require O(N^2) pairwise key exchanges, which become inefficient as participant count grows. Third, existing protocols provide limited verification that submitted gradient updates are well-formed, leaving aggregation vulnerable to consistency attacks. This paper presents Dynamic Sharded Federated Learning (DSFL), a secure aggregation framework for cross-institution fraud detection. DSFL introduces Dynamic Stochastic Sharding, which partitions participants into small cryptographically ephemeral clusters of fixed size m, reducing communication complexity to O(N*m). Within each cluster, participants submit Linear Integrity Tags, additive-homomorphic commitments that allow the server to verify update consistency without decryption. The mechanism detects inconsistent updates rather than malicious gradients. An Active Neighborhood Recovery protocol handles mid-round dropouts by reconstructing orphaned masks. Experiments on the ULB Credit Card Fraud Detection dataset (284,807 transactions across 10 simulated banking nodes) show that DSFL achieves approximately 34x lower aggregation latency than Paillier-based secure aggregation at N=1000, based on analytical extrapolation from empirical baselines, while maintaining 99% recovery fidelity under a 20% dropout regime. Global fraud recall reached 91.2% (+/-0.8%), above the 68% average of locally trained models.
Authors: Fei Bai, Huatong Song, Shuang Sun, Daixuan Cheng, Yike Yang, Chuan Hao, Renyuan Li, Feng Chang, Yuan Wei, Ran Tao, Bryan Dai, Jian Yang, Wayne Xin Zhao, Ji-Rong Wen
Abstract: Claw-style environments support multi-step workflows over local files, tools, and persistent workspace states. However, scalable development around these environments remains constrained by the absence of a systematic framework, especially one for synthesizing verifiable training data and integrating it with agent training and diagnostic evaluation. To address this challenge, we present ClawGym, a scalable framework that supports the full lifecycle of Claw-style personal agent development. Concretely, we construct ClawGym-SynData, a diverse dataset of 13.5K filtered tasks synthesized from persona-driven intents and skill-grounded operations, paired with realistic mock workspaces and hybrid verification mechanisms. We then train a family of capable Claw-style models, termed ClawGym-Agents, through supervised fine-tuning on black-box rollout trajectories, and further explore reinforcement learning via a lightweight pipeline that parallelizes rollouts across per-task sandboxes. To support reliable evaluation, we further construct ClawGym-Bench, a benchmark of 200 instances calibrated through automated filtering and human-LLM review. Relevant resources have been released at https://github.com/ClawGym.
Authors: Stefanos Gkikas, Christian Arzate Cruz, Thomas Kassiotis, Giorgos Giannakakis, Raul Fernandez Rojas, Randy Gomez
Abstract: Accurate and continuous estimation of cognitive workload is fundamental to creating adaptive human-machine systems. However, designing architectures that balance representational capacity with computational efficiency has been challenging for practical deployment. This paper introduces 1BT, a One-Block Transformer for compact and efficient EEG-based cognitive workload assessment. The model aggregates multi-channel temporal sequences via a minimal latent bottleneck, using a single cross-attention module followed by lightweight self-attention. A controlled study involving 11 participants performing three cognitively diverse tasks (abstract reasoning, numerical problem-solving, and an interactive video game) was conducted with continuous EEG recordings across two workload levels. Systematic architectural analysis identifies the most compact configuration that preserves high performance, while substantially lowering computational cost. The final model achieves high workload classification performance with under 0.5 million parameters and 0.02 GFLOPs, paving the way for a design direction for real-time cognitive workload monitoring in resource-constrained settings.
Authors: Fuyun Wang, Yuanzhi Wang, Xu Guo, Sujia Huang, Tong Zhang, Dan Wang, Hui Yan, Xin Liu, Zhen Cui
Abstract: Synthesizing realistic and diverse anomalous samples from limited data is vital for robust model generalization. However, existing methods struggle to reconcile fidelity and diversity, often hampered by distribution misalignment and overfitting, respectively.To mitigate this, we introduce Anomaly Preference Optimization,a novel paradigm that reformulates anomaly generation as a preference learning problem.Central to our approach is an implicit preference alignment mechanism that leverages real anomalies as positive references, deriving optimization signals directly from denoising trajectory deviations without requiring costly human annotation. Furthermore, we propose a Time-Aware Capacity Allocation module that dynamically distributes model capacity along the diffusion timeline,prioritizing structural diversity during highnoise phases while enhancing fine-grained fidelity in low-noise stages. During inference, a hierarchical sampling strategy modulates the coherencealignment trade-off, enabling precise control over generation. Extensive experiments demonstrate that significantly outperforms existing baselines,achieving state-of-the-art performance in both realism and diversity.
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: Hao Chen, Zavareh Bozorgasl
Abstract: Over-the-air federated learning (OTA-FL) reduces uplink latency by aggregating client updates directly over the wireless multiple-access channel. Coherent analog aggregation realizes this idea by aligning the phases and amplitudes of simultaneously transmitted waveforms, which typically requires synchronization, instantaneous channel-state information (CSI), phase compensation, and power control. Noncoherent energy detection removes the need for phase-coherent combining, but a single energy measurement is nonnegative and, therefore, cannot represent signed model updates. This paper introduces resource-element energy difference (REED), a noncoherent physical-layer primitive for continuous signed aggregation. REED maps the positive and negative parts of each real-valued update to transmit energies on paired orthogonal resource elements and estimates the signed sum by subtracting the corresponding received energies. The construction uses slow-timescale calibration of average channel powers, but does not require instantaneous transmitter- or receiver-side CSI or channel inversion. For independent Rayleigh fading, we derive exact first- and second-moment expressions for single-shot REED and for a chip-diverse extension that spreads each coordinate over multiple independently faded paired chips. The resulting variance laws separate fading-induced self-noise, signal-noise interaction, and receiver-noise fluctuation, giving an explicit diversity-resource tradeoff. More->The rest of abstract is in the paper.
Authors: Hongwei Zhang, Qiqiang Zhong, Jiangxia Cao, Yiyang Lv, Huanjie Wang, Liwei Guan, Jing Yao, Yiyu Wang, Junfeng Shu, Zhaojie Liu, Han Li
Abstract: Modeling ultra-long user sequences involves a difficult trade-off between efficiency and effectiveness. While current paradigms rely on either item-specific search or item-agnostic compression, we propose UxSID, a framework exploring a third path: semantic-group shared interest memory. By utilizing Semantic IDs (SIDs) and a dual-level attention strategy, UxSID captures target-aware preferences without the heavy cost of item-specific models. This end-to-end architecture balances computational parsimony with semantic awareness, achieving state-of-the-art performance and a 0.337% revenue lift in large-scale advertising A/B test.
Authors: Lin Li, Jiawei Huang, Qihao Quan, Dan Li, Boxin Li, Xiao Zhang, Erli Meng, Wenjie Feng, Jian Lou, See-Kiong Ng
Abstract: In this paper, we propose the first VL$\underline{\textbf{M}}$ $\underline{\textbf{a}}$gentic $\underline{\textbf{r}}$easoning framework for few-$\underline{\textbf{s}}$hot multimodal $\underline{\textbf{T}}$ime $\underline{\textbf{S}}$eries $\underline{\textbf{C}}$lassification ($\textbf{MarsTSC}$), which introduces a self-evolving knowledge bank as a dynamic context iteratively refined via reflective agentic reasoning. The framework comprises three collaborative roles: i) Generator conducts reliable classification via reasoning; ii) Reflector diagnoses the root causes of reasoning errors to yield discriminative insights targeting the temporal features overlooked by Generator; iii) Modifier applies verified updates to the knowledge bank to prevent context collapse. We further introduce a test-time update strategy to enable cautious, continuous knowledge bank refinement to mitigate few-shot bias and distribution shift. Extensive experiments across 12 mainstream time series benchmarks demonstrate that $\textbf{MarsTSC}$ delivers substantial and consistent performance gains across 6 VLM backbones, outperforming both classical and foundation model-based time series baselines under few-shot conditions, while producing interpretable rationales that ground each classification decision in human-readable feature evidence.
Authors: Azmi Haider, Dan Rosenbaum
Abstract: The remarkable achievements of both generative models of 2D images and neural field representations for 3D scenes present a compelling opportunity to integrate the strengths of both approaches. In this work, we propose a methodology that combines a NeRF-based representation of 3D scenes with probabilistic modeling and reasoning using diffusion models. We view 3D reconstruction as a perception problem with inherent uncertainty that can thereby benefit from probabilistic inference methods. The core idea is to represent the 3D scene as a stochastic latent variable for which we can learn a prior and use it to perform posterior inference given a set of observations. We formulate posterior sampling using the score-based inference method of diffusion models in conjunction with a likelihood term computed from a reconstruction model that includes volumetric rendering. We train the model using a two-stage process: first we train the reconstruction model while auto-decoding the latent representations for a dataset of 3D scenes, and then we train the prior over the latents using a diffusion model. By using the model to generate samples from the posterior we demonstrate that various 3D reconstruction tasks can be performed, differing by the type of observation used as inputs. We showcase reconstruction from single-view, multi-view, noisy images, sparse pixels, and sparse depth data. These observations vary in the amount of information they provide for the scene and we show that our method can model the varying levels of inherent uncertainty associated with each task. Our experiments illustrate that this approach yields a comprehensive method capable of accurately predicting 3D structure from diverse types of observations.
Authors: Timothy Oladunni, Farouk Ganiyu Adewumi
Abstract: This work proposes Attractor-Vascular Coupling Theory (AVCT), a mathematical framework showing that cardiac attractor geometry encodes blood pressure (BP) information sufficient for AAMI-standard estimation, and validates the theory through a calibrated cuffless BP model using photoplethysmography (PPG). AVCT is grounded in Cardiac Stability Theory and operationalized using Takens delay embedding and attractor morphology extraction. Two theorems, one proposition, and one corollary formally justify the use of PPG attractor features for BP estimation and predict the feature-importance hierarchy. A LightGBM model trained on pulse transit time (PTT) and Cardiac Stability Index (CSI) attractor features under single-point calibration was evaluated using strict leave-one-subject-out cross-validation (LOSO-CV) on 46 subjects from BIDMC ICU (n = 9) and VitalDB surgical data (n = 37), comprising 29,684 windows. The model achieved systolic BP (SBP) mean absolute error (MAE) of 2.05 mmHg and diastolic BP (DBP) MAE of 1.67 mmHg, with correlations r = 0.990 and r = 0.991, satisfying the AAMI/IEEE SP10 requirement of MAE below 5 mmHg. Median per-subject MAE was 1.87/1.54 mmHg, and 70%/76% of subjects individually satisfied AAMI criteria. A PPG-only ablation using nine smartphone attractor features matched the ECG+PPG model within 0.05 mmHg, demonstrating that clinical-grade BP tracking is achievable using only a smartphone camera while surpassing prior generalized LOSO-CV results using fewer sensors. All four AVCT predictions were quantitatively confirmed, with 91.5% error reduction from uncalibrated to calibrated estimation (epsilon_cal = 0.915). Unlike post-hoc explainable AI methods, AVCT predicts features satisfying the architectural faithfulness criterion of the Explainable-AI Trustworthiness (EAT) framework and grounding BP estimation in nonlinear dynamical systems theory.
Authors: Srinivas Sridharan, Theodor-Adrian Badea, Andy Balogh, Bradford M. Beckmann, Brian Coutinho, Louis Feng, Sheng Fu, Sanshan Gao, Mehryar Garakani, Taekyung Heo, David Kanter, Josh Ladd, Ziwei Li, Winston Liu, Changhai Man, Dan Mihailescu, Spandan More, Joongun Park, Ashwin Ramachandran, Vinay Ramakrishnaiah, Saeed Rashidi, Vijay Janapa Reddi, Puneet Sharma, Phio Tian, William Won, Hanjiang Wu, Huan Xu, Jinsun Yoo, Tushar Krishna
Abstract: The fast pace of artificial intelligence~(AI) innovation demands an agile methodology for observation, reproduction and optimization of distributed machine learning~(ML) workload behavior in production AI systems and enables efficient software-hardware~(SW-HW) co-design for future systems. We present Chakra, an open and portable ecosystem for performance benchmarking and co-design. The core component of Chakra is an open and interoperable graph-based representation of distributed AI/ML workloads, called Chakra execution trace~(ET). These ETs represent key operations, such as compute, memory, and communication, data and control dependencies, timing, and resource constraints. Additionally, Chakra includes a complementary set of tools and capabilities to enable the collection, analysis, generation, and adoption of Chakra ETs by a broad range of simulators, emulators, and replay tools. We present analysis of Chakra ETs collected on production AI clusters and demonstrate value via real-world case studies. Chakra has been adopted by MLCommons and has active contributions and engagement across the industry, including but not limited to NVIDIA, AMD, Meta, Keysight, HPE, and Scala, to name a few.
Authors: Drago Plecko
Abstract: Automated systems built on artificial intelligence (AI) are increasingly deployed across high-stakes domains, raising critical concerns about fairness and the perpetuation of demographic disparities that exist in the world. In this context, causal inference provides a principled framework for reasoning about fairness, as it links observed disparities to underlying mechanisms and aligns naturally with human intuition and legal notions of discrimination. Prior work on causal fairness primarily focuses on the standard machine learning setting, where a decision-maker constructs a single predictive mechanism $f_{\widehat Y}$ for an outcome variable $Y$, while inheriting the causal mechanisms of all other covariates from the real world. The generative AI setting, however, is markedly more complex: generative models can sample from arbitrary conditionals over any set of variables, implicitly constructing their own beliefs about all causal mechanisms rather than learning a single predictive function. This fundamental difference requires new developments in causal fairness methodology. We formalize the problem of causal fairness in generative AI and unify it with the standard ML setting under a common theoretical framework. We then derive new causal decomposition results that enable granular quantification of fairness impacts along both (a) different causal pathways and (b) the replacement of real-world mechanisms by the generative model's mechanisms. We establish identification conditions and introduce efficient estimators for causal quantities of interest, and demonstrate the value of our methodology by analyzing race and gender bias in large language models across different datasets.
Authors: Haoxuan Chen, Tianming Liang, Wei-Shi Zheng, Jian-Fang Hu
Abstract: Reinforcement learning with verifiers (RLVR) has become a central paradigm for improving LLM reasoning, yet popular group-based optimization algorithms like GRPO often suffer from exploration collapse, where the models prematurely converge on a narrow set of high-scoring patterns, lacking the ability to explore new solutions. Recent efforts attempt to alleviate this by adding entropy regularization or diversity bonus. However, these approaches do not change the \textit{winner-takes-all} nature, where rollouts still compete for individual advantage rather than cooperating for maximizing global diversity. In this work, we propose Group Cooperative Policy Optimization (GCPO), which shifts the training paradigm from rollout competition to team cooperation. Specifically, GCPO replaces independent rollout scoring with team-level credit assignment: a rollout is rewarded by how much it contributes to the team's valid solution coverage, rather than its individual accuracy. This coverage is described as a determinant volume over reward-weighted semantic embeddings, where only correct and non-redundant rollouts contribute to this volume. During advantage estimation, GCPO redistributes the collective team reward to each single rollout according to its average marginal contribution to the team. This cooperative training paradigm routes optimization toward non-redundant correct reasoning paths. Experiments across multiple reasoning benchmarks demonstrate that GCPO significantly improves both reasoning accuracy and solution diversity over existing approaches. Code will be released at https://github.com/bradybuddiemarch/gcpo.
Authors: Taicheng Guo, Nitesh V. Chawla, Olaf Wiest, Xiangliang Zhang
Abstract: Effectively configuring scalable large language model (LLM) experiments, spanning architecture design, hyperparameter tuning, and beyond, is crucial for advancing LLM research, as poor configuration choices can waste substantial computational resources and prevent models from realizing their full potential. Prior automated methods are designed for low-cost settings where repeated trial and error is feasible, but scalable LLM experiments are too expensive for such extensive iteration. To our knowledge, no work has addressed the automation of high-cost LLM experiment configurations, leaving this problem labor-intensive and dependent on expert intuition. Motivated by this gap, we propose AutoLLMResearch, an agentic framework that mimics how human researchers learn generalizable principles from low-fidelity experiments and extrapolate to efficiently identify promising configurations in expensive LLM settings. The core challenge is how to enable an agent to learn, through interaction with a multi-fidelity experimental environment that captures the structure of the LLM configuration landscape. To achieve this, we propose a systematic framework with two key components: 1) LLMConfig-Gym, a multi-fidelity environment encompassing four critical LLM experiment tasks, supported by over one million GPU hours of verifiable experiment outcomes; 2) A structured training pipeline that formulates configuration research as a long-horizon Markov Decision Process and accordingly incentivizes cross-fidelity extrapolation reasoning. Extensive evaluation against diverse strong baselines on held-out experiments demonstrates the effectiveness, generalization, and interpretability of our framework, supporting its potential as a practical and general solution for scalable real-world LLM experiment automation.
Authors: Kyriakos Christodoulides
Abstract: Public procurement is vulnerable to error, fraud, and corruption, particularly as high transaction volumes overwhelm oversight. While research often focuses on tender-stage anomalies, post-award payment monitoring remains underexplored. Since labelled datasets are rare and methods like Benford's Law face restrictive assumptions, there is a need for interpretable, unsupervised frameworks for high-volume procurement oversight and decision support. This paper introduces the Structural Heterogeneity Index (SHI), a composite statistic for one-dimensional samples, and its payment-specific instantiation, the Payment Heterogeneity Index (PHI), characterising payment structure and latent regimes. It incorporates Gaussian Mixture Model (GMM) parameters alongside non-parametric statistics, integrating four interpretable components: modality, asymmetry, tail behaviour, and structural dispersion. Uniquely, the tail-behaviour component captures both distributional heaviness and extreme-value concentration, while structural-dispersion combines the variability, prevalence, and separation of latent payment regimes. Applied to UK municipal procurement data, PHI identifies a financially significant cohort (0.6\% of suppliers; 10.1\% of high-volume vendors) with structurally distinct payment patterns. Statistical testing further supports these differences, and targeted human verification confirms the plausibility of prioritised cases. Comparative analysis shows PHI reveals regime separation obscured by the Coefficient of Variation ($\rho = 0.310$). PHI provides a transparent, decomposable, and computationally lightweight framework for procurement integrity oversight and targeted audit prioritisation.
Authors: Yiyun Zhou, Zhonghua Jiang, Wenkang Han, Kunxi Li, Mingjing Xu, Chang Yao, Jingyuan Chen
Abstract: Efficient transfer learning methods for large-scale vision-language models ($e.g.$, CLIP) enable strong few-shot transfer, yet existing adaptation methods follow a fixed fine-tuning paradigm that implicitly assumes a uniform importance of the image and text branches, which has not been systematically studied in image classification. Through extensive analysis, we reveal a Branch Bias issue in vision-language image classification: adapting the image encoder does not always improve performance under out-of-distribution settings. Motivated by this observation, we propose A$_3$B$_2$, an Adaptive Asymmetric Adapter that alleviates Branch Bias in few-shot learning. A$_3$B$_2$ introduces Uncertainty-Aware Adapter Dampening (UAAD), which automatically suppresses image-branch adaptation when prediction uncertainty is high, enabling soft and data-driven control without manual intervention. Architecturally, A$_3$B$_2$ adopts a lightweight asymmetric design inspired by mixture-of-experts with Load Balancing Regularization. Extensive experiments on three few-shot image classification tasks across 11 datasets demonstrate that A$_3$B$_2$ consistently outperforms 11 competitive prompt- and adapter-based baselines.
Authors: Richard Sproat, Stefano Peluchetti
Abstract: Kamon (family crests) are an important part of Japanese culture and a natural test case for compositional visual recognition: each crest combines a small number of symbolic choices, but the space of possible descriptions is sparse. We introduce KamonBench, a grammar-based image-to-structure benchmark with 20,000 synthetic composite crests and auxiliary component examples. Each composite crest is paired with a formal kamon description language - "kamon y\=ogo" - description, a segmented Japanese analysis, an English translation, and a non-linguistic program code. Because each synthetic crest is generated from known factors, namely container, modifier, and motif, KamonBench supports evaluation beyond caption-level accuracy: direct program-code factor metrics, controlled factor-pair recombination splits, counterfactual motif-sensitivity groups under fixed container-modifier contexts, and linear probes of factor accessibility. We include baseline results for a ViT encoder/Transformer decoder and two VGG n-gram decoders, with and without learned positional masks. KamonBench therefore provides a controlled testbed for sparse compositional visual recognition and factor recovery in vision-language models.
Authors: Barathi Ganesh HB, Michal Ptaszynski, Rene Melendez, Juuso Eronen
Abstract: This paper presents a multi-stage framework for detecting reclaimed slurs in multilingual social media discourse. It addresses the challenge of identifying reclamatory versus non-reclamatory usage of LGBTQ+-related slurs across English, Spanish, and Italian tweets. The framework handles three intertwined methodological challenges like data scarcity, class imbalance, and cross-linguistic variation in sentiment expression. It integrates data-driven model selection via cross-validation, semantic-preserving augmentation through back-translation, inductive transfer learning with dynamic epoch-level undersampling, and domain-specific knowledge injection via masked language modeling. Eight multilingual embedding models were evaluated systematically, with XLM-RoBERTa selected as the foundation model based on macro-averaged F1 score. Data augmentation via GPT-4o-mini back-translation to alternate languages effectively tripled the training corpus while preserving semantic content and class distribution ratios. The framework produces four final runs for the evaluation purposes where RUN 1 is inductive transfer learning with augmentation and undersampling, RUN 2 with masked language modeling pre-training, RUN 3 and RUN 4 are previous predictions refined via language-specific decision thresholds optimized via ROC analysis. Language-specific threshold refinement reveals that optimal decision boundaries vary significantly across languages. This reflects distributional differences in model confidence scores and linguistic variation in reclamatory language usage. The threshold-based optimization yields 2-5% absolute F1 improvement without requiring model retraining. The methodology is fully reproducible, with all code and experimental setup available at https://github.com/rbg-research/MultiPRIDE-Evalita-2026.
URLs: https://github.com/rbg-research/MultiPRIDE-Evalita-2026.
Authors: Gionni Marchetti
Abstract: We address shortcomings of principal component analysis (PCA) for visualizing high-dimensional data lying on a nonlinear low-dimensional manifold via two-dimensional scatterplots, focusing on a fossil teeth dataset from the early mammalian insectivore Kuehneotherium. While the PCA scatterplot reported by Jolliffe and Cadima (Philosophical Transactions of the Royal Society A, 2016) shows clustering in the region where PC2 < 0, our analysis based on t-SNE and persistent homology (PH) reveals a ring-like structure with no evident clustering and intrinsic dimensionality equal to one. We further propose a generative probabilistic-geometric model in which the data are sampled uniformly from a unit circle. Under this model, pairwise cosine distances follow an arcsine distribution, in qualitative agreement with the observed U-shaped distribution, thereby independently supporting the analysis based on t-SNE and persistent homology.
Authors: Gregory Beurier, Robin Reiter, Camille No\^us, Lauriane Rouan, Denis Cornet
Abstract: Preprocessing screening is often the most expensive part of a near-infrared spectroscopy calibration workflow. It works because smoothing, derivatives, detrending and related filters change the spectral directions seen by PLS or Ridge regression, but a full external search repeatedly refits nearly the same linear model. This paper studies the case where that search can be collapsed into one calibration step. For strict linear preprocessing operators, the transformed PLS cross-covariance satisfies (X A^T)^T Y = A X^T Y, and Ridge regression depends on the operator-induced kernel X A^T A X^T. These identities allow a finite operator bank to be screened inside the model while retaining original-wavelength coefficients. Sample-adaptive or fitted corrections such as SNV, MSC, EMSC and ASLS remain fold-local branches, not absorbed into the algebra. The study uses the AOM benchmark cohort: 61 regression rows and 17 classification rows in the manifest. On the main regression denominator (N=32), plain compact-bank AOM-PLS records median RMSEP ratios of 0.991 against PLS-default and 0.990 against PLS-HPO; the selected ASLS-AOM-compact-cv5 branch records 0.985 and 1.002 on the same two references. The plain AOMRidge-global-compact-none baseline records 0.974 against Ridge-default and 0.984 against Ridge-HPO, while the selected AOMRidge-Blender-headline-spxy3 records 0.918 and 0.966. The selected classifier, AOM-PLS-DA-global-simpls-covariance, improves balanced accuracy by 0.159 on N=13 datasets with 12/13 wins. The runtime gap is the practical result: PLS-HPO takes a median total time of 710.81 s per run, whereas the selected AOM-PLS branch takes 1.63 s. Linear operator-adaptive calibration therefore gives comparable prediction quality to exhaustive preprocessing screening, with orders-of-magnitude less fitting time for PLS.
Authors: Angel Wang, Dominique Perrault-Joncas, Alvaro Maggiar, Carson Eisenach, Dean Foster
Abstract: In large-scale multi-agent systems with shared resource constraints, an upstream planner must iteratively evaluate candidate resource plans -- assessing feasibility, aggregate response, and marginal cost -- before committing to one. Lagrangian relaxation separates local decisions through a broadcast cost signal, but the planner still needs the cost-to-utilization response map to explore plan space, and this map depends on population composition that changes across planning cycles. We propose \emph{population-aware coordination interfaces}: learned primal and dual maps, conditioned on compact population summaries, that the planner queries inside its iterative loop. The primal map predicts aggregate utilization under a proposed cost trajectory; the dual map predicts the cost trajectory for a target plan. By encoding response-relevant population structure, these maps remain reliable across evolving populations without per-cycle retraining, and support coordination of large populations from compact subsamples. We additionally cast Sim2Real transfer as a backtestable procedure, enabling evaluation before deployment. In a supply-chain capacity-control case study, population-aware interfaces reduce forecast error by 16--19\% and capacity violations by 20--51\% relative to population-unaware baselines under composition shift; 20K-agent cohorts support accurate coordination of 500K-agent populations; and simulator-trained primal maps achieve 11.1\% MAPE on real observations versus 13--24\% for baselines.
Authors: Shuoyang Sun, Chang Dai, Hao Fang, Kuofeng Gao, Xinhao Zhong, Yi Sun, Fan Mo, Shu-Tao Xia, Bin Chen
Abstract: Speculative decoding has become a widely adopted technique for accelerating large language model (LLM) inference by drafting multiple candidate tokens and verifying them with a target model in parallel. Its efficiency, however, critically depends on the average accepted length $\tau$, i.e., how many draft tokens survive each verification step. In this work, we identify a new mechanism-level vulnerability in model-based speculative decoding: the drafter is trained to approximate the target model distribution, but this approximation is inevitably imperfect. Such a drafter-target mismatch creates a hidden attack surface where small perturbations can preserve the target model's visible behavior while substantially reducing draft-token acceptability. We propose Mistletoe, a stealthy acceleration-collapse attack against speculative decoding. Mistletoe directly targets the acceptance mechanism of speculative decoding. It jointly optimizes a degradation objective that decreases drafter-target agreement and a semantic-preservation objective that constrains the target model's output distribution. To resolve the conflict between these objectives, we introduce a null-space projection mechanism, where degradation gradients are projected away from the local semantic-preserving direction, suppressing draft acceptance while minimizing semantic drift. Experiments on various speculative decoding systems show that Mistletoe substantially reduces average accepted length $\tau$, collapses speedup, and lowers averaged token throughput, while preserving output quality and perplexity. Our work highlights that speculative decoding introduces a mechanism-level attack surface beyond existing output robustness, calling for more robust designs of LLM acceleration systems.
Authors: Amirreza Mohseni, Mona Mohammadi, Morteza Saghafian, Naser Talebizadeh Sardari
Abstract: We introduce CurveBench, a benchmark for hierarchical topological reasoning from visual input. CurveBench consists of \textbf{756 images} of pairwise non-intersecting Jordan curves across easy, polygonal, topographic-inspired, maze-like, and dense counting configurations. Each image is annotated with a rooted tree encoding the containment relations between planar regions. We formulate the task as structured prediction: given an image, a model must recover the full rooted containment tree induced by the curves. Despite the visual simplicity of the task, the strongest evaluated model, Gemini 3.1 Pro, achieves only \textbf{71.1\%} tree-generation accuracy on CurveBench-Easy and \textbf{19.1\%} on CurveBench-Hard. We further demonstrate benchmark utility through RLVR-style fine-tuning of open-weight vision-language models. Our trained Qwen3-VL-8B model improves over \texttt{Qwen-3-VL-8B-Thinking} from \textbf{2.8\%} to \textbf{33.3\%} tree-generation accuracy on CurveBench-Easy, exceeding GPT-5.4 and Claude Opus 4.5 under our evaluation protocol. The remaining gap, especially on CurveBench-Hard, shows that exact topology-aware visual reasoning remains far from solved.
Authors: Arthur Fyon, Julien Brandoit, Loris Mendolia, Damien Ernst, Jean-Michel Redout\'e, Guillaume Drion
Abstract: Always-on AI applications, from environmental sensors to biomedical implants, require ultra-low power consumption. Analog circuits offer a path to sub-microwatt inference, yet existing analog implementations are limited to feedforward architectures: extending them to recurrent dynamics has been considered impractical due to noise accumulation through temporal feedback. We demonstrate that this barrier can be overcome through hardware-software co-design. Specifically, we identify that Bistable Memory Recurrent Units (BMRUs), a class of Recurrent Neural Networks (RNNs) with discrete-valued outputs and hysteretic dynamics, admit an ultra-low power current-mode analog implementation which we design from first principles. The resulting circuit establishes a one-to-one correspondence between each learned parameter and a circuit element. The discrete outputs suppress analog noise by at least 20-fold at each cell boundary, breaking the noise accumulation that prevents analog recurrence. We reformulate BMRUs for first-quadrant operation with fixed thresholds, enabling the direct correspondence while preserving expressivity and trainability. Transistor-level simulations in 180 nm Complementary Metal-Oxide-Semiconductor (CMOS) show near-perfect agreement between software predictions and circuit-level behavior, with the software model thereby serving as a high-fidelity simulator of the physical hardware at low computational cost. We leverage this fidelity to conduct large-scale noise immunity and power scaling analyses: the power cost of adding recurrence scales linearly with state dimension, while the feedforward layers dominating total power scale quadratically, meaning recurrence is added at linear marginal cost relative to the feedforward backbone. End-to-end keyword spotting achieves sub-microwatt inference at the RNN core.
Authors: Caoliwen Wang, Minghao Guo, Siyuan Chen, Heng Zhang, Mengdi Wang, Xingyu Ni, Hanson Sun, Kunyi Wang, Zherong Pan, Kui Wu, Lingjie Liu, Yin Yang, Chenfanfu Jiang, Taku Komura, Wojciech Matusik, Peter Yichen Chen
Abstract: A unified simulator that can model diverse physical phenomena without solver-specific redesign is a long-standing goal across simulation science. We present a learning-based particle simulator built on a single transformer architecture to model cloth, elastic solds, Newtonian and non-Newtonian fluids, granular materials, and molecular dynamics. Our model follows a prediction-correction design on a shared Lagrangian particle representation. An explicit predictor first advances particles under the known external forces, producing an intermediate state that captures externally driven motion but not inter-particle interactions. A learned corrector then predicts the residual position and velocity updates through three stages: a particle tokenizer that encodes local particle-particle, particle-boundary, and topology-guided interactions; a super-token encoder that hierarchically merges particle tokens into a compact set of super tokens via alternating self-attention and token merging; and a super-token decoder that lifts these super tokens back to particle resolution through cross-attention to predict per-particle position and velocity corrections. Progressive token merging reduces the attention cost at successive encoder layers by halving the token count at each level, and the decoder communicates through the compact super-token set rather than full particle-to-particle attention. Across the six dynamics categories, the same architecture generalizes to unseen materials, boundary configurations, initial conditions, and external forces. We further demonstrate downstream interactive control, inverse design, and learning from real-world manipulation data, reducing the need for per-phenomenon solver engineering.
Authors: Logan Mondal Bhamidipaty, Esmeralda S. Whitammer, David Abel, Mykel J. Kochenderfer, Subramanian Ramamoorthy
Abstract: We propose a novel definition of model exploitation in reinforcement learning. Informally, a world model is exploitable if it implies that one policy should be strictly preferred over another while the environment's true transition model implies the reverse. We analogize our definition with a prior characterization of reward hacking but show that the associated proof of inevitability does not transfer to exploitation. To overcome this obstruction, we develop a general theory of reward hacking and model exploitation that proves that exploitation is essentially unavoidable on large policy sets and yields the corresponding claim for hacking as a special case. Unfortunately, we also find that the conditions that guarantee unhackability in finite policy sets have no counterpart that precludes exploitation. Consequently, we introduce a relaxed notion of exploitation and derive a safe horizon within which it can be avoided. Taken together, our results establish a formal bridge between reward hacking and model exploitation and elucidate the limits of safe planning in world models.
Authors: Vishnu Saj, Sushil Vemuri, Dileep Kalathil, Moble Benedict
Abstract: Deep Reinforcement Learning (DRL) for quadrotor flight control typically relies on Domain Randomization (DR) for sim-to-real transfer, resulting in overly conservative policies that struggle with dynamic disturbances. To overcome this, we propose a novel adaptive control architecture that actively perceives and reacts to instantaneous perturbations. First, we train an optimal outer-loop policy, then replace its reliance on ground-truth disturbance data with a Residual Dynamics Predictor (RDP). The RDP estimates the external forces and moments acting on the aircraft in flight online using only the history of states and control actions. For seamless hardware transfer, we introduce a data-efficient linear calibration bridge and an online thrust correction mechanism that align the simulated latent space with reality using mere seconds of flight data. Real-world validations on a Crazyflie micro-quadrotor demonstrate that our adaptive controller significantly outperforms baselines, maintaining precise trajectory tracking under severe uncertainties including mass variations, asymmetric payloads, and dynamic slung loads
Authors: Andr\'e G. Pereira, Augusto B. Corr\^ea, Jendrik Seipp
Abstract: LLMs have shown impressive success in program synthesis, discovering programs that surpass prior solutions. However, these approaches rely on simple numeric scores to signal program quality, such as the value of the solution or the number of passed tests. Because a score offers no guidance on why a program failed, the system must generate and evaluate many candidates hoping some succeed, increasing LLM inference and evaluation costs. We study a different approach: property-guided LLM program synthesis. Instead of scoring programs after evaluation, we check whether a candidate satisfies a formally defined property. When the property is violated, we stop the evaluation early and provide the LLM with a concrete counterexample showing exactly how the program failed. This feedback drastically reduces both the number of program generations and the evaluation cost, and can guide the LLM to generate stronger programs. We evaluate this approach on PDDL planning domains, asking the LLM to synthesize direct heuristic functions: every state reachable by strictly improving transitions has a strictly improving successor. A heuristic with this property leads hill-climbing algorithm directly to a goal state. A counterexample-guided repair loop generates one candidate program, checks the property over a training set, and returns the first case that violates the property. We evaluate our approach on ten planning domains with an out-of-distribution test set. The synthesized heuristics are effectively direct on virtually all test tasks, and compared to the best prior generation method our approach generates seven times fewer programs per domain on average, solves more tasks without using search, and requires several orders of magnitude less computation to evaluate candidates. Whenever a problem admits a verifiable property, property-guided LLM synthesis can reduce cost and improve program quality.