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Applications · Computer Vision

Xingwu Zhang, Guanxuan Li, Paul Henderson, Gerardo Aragon-Camarasa, ZIJUN LONG

Current state-of-the-art multi-class unsupervised anomaly detection (MUAD) methods rely on training encoder–decoder models to reconstruct anomaly-free features. We first show these approaches have an inherent fidelity–stability dilemma in how they detect anomalies via reconstruction residuals. We then abandon the reconstruction paradigm entirely and propose Retrieval-based Anomaly Detection (RAD). RAD is a training-free approach that stores anomaly-free features in a memory and detects anomalies through multi-level retrieval, matching test patches against the memory. Experiments demonstrate that RAD achieves state-of-the-art performance across four established benchmarks (MVTec-AD, VisA, Real-IAD, 3D-ADAM) under both standard and few-shot settings. On MVTec-AD, RAD reaches 96.7% Pixel AUROC with just a single anomaly-free image compared to 98.5% of RAD's full-data performance. We further prove that retrieval-based scores theoretically upper-bound reconstruction-residual scores. Collectively, these findings overturn the assumption that MUAD requires task-specific training, showing that state-of-the-art anomaly detection is feasible with memory-based retrieval. Our code is available at https://anonymous.4open.science/r/RAD-3A6C.

Probabilistic Methods · Bayesian Models and Methods

Horace Yiu, Leandro Sánchez-Betancourt, Alvaro Cartea, Gerardo Duran-Martin

We derive a robust update rule for the online infinite hidden Markov model (iHMM) for when the streaming data contains outliers and the model is misspecified. Leveraging recent advances in generalised Bayesian inference, we define robustness via the posterior influence function (PIF), and provide conditions under which the online iHMM has bounded PIF. Imposing robustness inevitably induces an adaptation lag for regime switching. Our method, which is called Batched Robust iHMM (BR-iHMM), balances adaptivity and robustness with two additional tunable parameters. Across limit order book data, hourly electricity demand, and a synthetic high-dimensional linear system, BR-iHMM reduces one-step-ahead forecasting error by up to 67% relative to competing online Bayesian methods. Together with theoretical guarantees of bounded PIF, our results highlight the practicality of our approach for both forecasting and interpretable online learning.

Huayu Deng, Jinghui Zhong, Xiangming Zhu, Yunbo Wang, Xiaokang Yang

High-fidelity measurements of continuum physical fields are essential for scientific discovery and engineering design but remain challenging under sparse and constrained sensing. Conventional reconstruction methods typically rely on fixed sensor layouts, which cannot adapt to evolving physical states. We propose LASER, a unified, closed-loop framework that formulates active sensing as a Partially Observable Markov Decision Process (POMDP). At its core, LASER employs a continuum field latent world model that captures the underlying physical dynamics and provides intrinsic reward feedback. This enables a reinforcement learning policy to simulate ''what-if'' sensing scenarios within a latent imagination space. By conditioning sensor movements on predicted latent states, LASER navigates toward potentially high-information regions beyond current observations. Our experiments demonstrate that LASER consistently outperforms static and offline-optimized strategies, achieving high-fidelity reconstruction under sparsity across diverse continuum fields.

Deep Learning · Large Language Models

Keuntae Kim, Beomseok Lee, Hyunwoo Kim, Yong Suk Choi

Vision Language Models (VLMs) achieve strong reasoning with Chain-of-Thought (CoT) prompting but incur high sequential-generation cost, error accumulation, and limited self-correction. Diffusion Multimodal Large Language Models (dMLLMs) unmask tokens in an order-agnostic process, improving efficiency and enabling self-correction, yet their reasoning and how to enhance it remain underexplored. We propose a training-free method, Spatio-Temporal token Veto (ST-Veto), leveraging the ability to observe all tokens at each diffusion step. ST-Veto vetoes temporally unstable tokens via second-order Taylor prediction of confidence dynamics and filters weakly grounded tokens using image attention mass, swapping them with safer candidates. Across multiple dMLLMs and multimodal reasoning benchmarks, ST-Veto consistently outperforms standard decoding policies and prior VLM reasoning methods, improving accuracy by up to 9\% with no additional training or generation cost. Analyses show that ST-Veto steers generation toward higher-confidence, better-grounded paths, and we will release our code upon publication.

Deep Learning · Large Language Models

Hongcheng Gao, Zihao Huang, Jingyi Tang, Lin Xu, Xinhao Li, Haoyang Li, Yue Liu, Minhua Lin, Xinlong Yang, Taihang Hu 等

A common belief in multimodal research is that the perceptual weaknesses of vision--language models can be compensated by stronger language reasoning (e.g., chain-of-thought, in-context learning, or external tools). We challenge this assumption. We argue that for a broad class of visual tasks hard to specify in language, failures stem from a structural fatality where the temporal decision of \textit{when} to reason strictly dictates the spatial constraint of where reasoning takes place. When visual reasoning is deferred to language generation, current architectures do not merely delay computation; they displace it from the continuous visual representation to a discrete textual space. Consequently, the sequential "Perception-then-Reasoning" paradigm degenerates perception into a passive, one-off feature encoding process, rendering it functionally equivalent to "Reasoning-in-Text-Space", where task-critical spatial signals are collapsed before reasoning begins. We substantiate this claim with the Turing Eye Test (TET): tasks that must be resolved in visual space and are hard to verbalize; results show text-only reasoning cannot remedy these perceptual failures. Our findings suggest rethinking the architectural divide: shifting from reasoning \textit{about} perception to reasoning within perception. This facilitates actively reasoning-driven perception that operates directly on pixel-level visual representations, rather than within a collapsed textual space.

Theory · Optimization

Ioannis Anagnostides, Rohan Chauhan, Ioannis Panageas, Tuomas Sandholm, Jingming Yan

Performative prediction captures the phenomenon where deploying a predictive model shifts the underlying data distribution. While simple retraining dynamics are known to converge linearly when the performative effects are weak ($\rho < 1$), the complexity in the regime $\rho > 1$ was hitherto open. In this paper, we establish a sharp phase transition: computing an $\epsilon$-performatively stable point is PPAD-complete---and thus polynomial-time equivalent to Nash equilibria in general-sum games---even when $\rho = 1 + O(\epsilon)$. This intractability persists even in the ostensibly simple setting with a quadratic loss function and linear distribution shifts. One of our key technical contributions is to extend this PPAD-hardness result to general convex domains, which is of broader interest in the complexity of variational inequalities. Finally, we address the special case of strategic classification, showing that computing a strategic local optimum is PLS-hard.

General Machine Learning · Transfer, Multitask and Meta-learning

Wenqi Qiu, Yipeng Zhou, Lin Zhu, Laizhong Cui

Federated continual learning (FCL) of large language models on edge devices is constrained by a communication--stability--plasticity trilemma. We reveal a less-is-more phenomenon: beyond a moderate layer upload ratio, stability loss offsets saturated plasticity gains, so overall continual performance no longer improves. Moreover, layer-wise conflict is heavy-tailed and concentrates in a few layers; denser uplink increasingly includes these layers, which disproportionately drives forgetting and motivates selective sparse communication. Therefore, we introduce RieSelect, which treats stability as staying within a Fisher-metric safe basin around historical solutions. Under this safe-basin constraint, we derive a layer-wise conflict score and a closed-form certified safe step size for finite local updates, and formulate selective uplink as a knapsack-based utility--risk selection, balancing plasticity gains against stability risks. Extensive experiments show that, under a per-round uplink budget, RieSelect achieves the best performance across task orders. Beyond this matched-budget setting, under standard communication protocols, RieSelect improves average accuracy by 18.99–28.14 points while reducing total uplink by 53–115$\times$.

Applications · Chemistry, Physics, and Earth Sciences

Karen Sargsyan, Chao-Ping Hsu

Finding exact solutions to the quantum many-body problem is computationally intractable (QMA-hard). Traditional approximations for electrons in an atom or molecule---density functional theory and wavefunction methods---have been indispensable, but their development shows signs of saturation: DFT functionals have proliferated without converging toward the exact functional, and strong correlation remains largely unsolved after decades of effort. This position paper argues that machine learning represents the most promising path forward---not as a proof of logical necessity, but as a decision-theoretic argument: ML succeeds whether the underlying problems are truly hard or merely lack simple analytical solutions. We reframe recent traditional method development as ``hand-crafted machine learning'' that has exhausted the hypothesis space accessible to human intuition. Significant challenges remain, but these have clear research paths forward, unlike the fundamental barriers facing traditional approaches. ML-based approaches merit strategic priority in quantum chemistry's next phase.

Optimization · Zero-order and Black-box Optimization

Weibo Huang, Cheng Hua

Bayesian Optimization is widely used for expensive black-box optimization, yet its success often depends on choosing a kernel that matches the objective’s unknown structure. In this work, we propose ALAS, a flexible Gaussian Process kernel family built from symmetric $\alpha$-stable spectral components. By learning the stability parameter $\alpha$, ALAS adapts its effective smoothness from data, capturing both smooth trends and sharp irregularities. We present two parameterizations: ALAS, a single stationary component with joint spectral modulation, and ALAS-Sep, a separable variant that learns dimension-wise tail behavior to improve robustness on approximately decomposable objectives. Experiments on standard benchmarks and real-world surrogates demonstrate strong and robust performance across diverse settings.

Social Aspects · Accountability, Transparency, and Interpretability

Guoheng Sun, Ziyao Wang, Xuandong Zhao, Bowei Tian, Zheyu Shen, Yexiao He, Jinming Xing, Ang Li

Modern large language model (LLM) services increasingly rely on complex, often abstract operations, such as multi-step reasoning and multi-agent collaboration, to generate high-quality outputs. While users are billed based on token consumption and API usage, these internal steps are typically not visible. We refer to such systems as Commercial Opaque LLM Services (COLS). This position paper highlights emerging accountability challenges in COLS: users are billed for operations they cannot observe, verify, or contest. We formalize two key risks: \textit{quantity inflation}, where token and call counts may be artificially inflated, and \textit{quality downgrade}, where providers might quietly substitute lower-cost models or tools. Addressing these risks requires a diverse set of auditing strategies, including commitment-based, predictive, behavioral, and signature-based methods. We further explore the potential of complementary mechanisms such as watermarking and trusted execution environments to enhance verifiability without compromising provider confidentiality. We also propose a modular three-layer auditing framework for COLS and users that enables trustworthy verification across execution, secure logging, and user-facing auditability without exposing proprietary internals. Our aim is to encourage further research and policy development toward transparency, auditability, and accountability in commercial LLM services.

Reinforcement Learning · Deep RL

Zekang Wang, Zhe He, Borong Zhang, Edan Toledo, Steven Morad

How should we analyze memory in deep RL? We introduce tools for analyzing policies under partial observability and revealing how agents use memory to make decisions. To utilize these tools, we present POPGym Arcade, a collection of Atari-inspired, hardware-accelerated environments sharing a single observation and action space. Each environment provides fully and partially observable variants, enabling counterfactual studies on observability. We find that controlled studies are necessary for fair comparisons and identify a pathology where value functions smear credit over irrelevant history. Using this pathology, we demonstrate how out-of-distribution scenarios can contaminate memory, perturbing the policy far into the future.

Applications · Chemistry, Physics, and Earth Sciences

Dario Coscia, Pim de Haan, Max Welling

Machine Learning Interatomic Potentials (MLIPs) are becoming a central tool in simulation-based chemistry. However, like most deep learning models, MLIPs struggle to make accurate predictions on out-of-distribution data or when trained in a data-scarce regime, both common scenarios in simulation-based chemistry. Moreover, MLIPs do not provide uncertainty estimates by construction, which are fundamental to guide active learning pipelines and to ensure the accuracy of simulation results compared to quantum calculations. To address this shortcoming, we propose BLIPs: Bayesian Learned Interatomic Potentials. BLIP is a scalable, architecture-agnostic variational Bayesian framework for training or fine-tuning MLIPs, built on an adaptive version of Variational Dropout. BLIP delivers well-calibrated uncertainty estimates and minimal computational overhead for energy and forces prediction at inference time, while integrating seamlessly with (equivariant) message-passing architectures. Empirical results on simulation-based computational chemistry tasks demonstrate improved predictive accuracy with respect to standard MLIPs, and trustworthy uncertainty estimates, especially in data-scarse or heavy out-of-distribution regimes. Moreover, fine-tuning pretrained MLIPs with BLIP yields consistent performance gains and calibrated uncertainties.

Deep Learning · Large Language Models

Tianlong Wang, Yuhang Wang, Weibin Liao, Xin Gao, Xinyu Ma, Yang Lin, Yasha Wang, Liantao Ma

Current approaches to enhance Large Language Model (LLM) reasoning, such as Chain-of-Thought and "Wait" prompts, primarily encourage models to think more, yet often fail to guide them toward Truth. While Representation Editing (RepE) offers a intrinsic control, its application to dynamic reasoning trajectories remains underexplored. In this work, we bridge this gap by investigating the geometry of truth within unfolding reasoning chains. We uncover three critical insights: (1) Truth is encoded at the sentence level and is entangled with latent reasoning patterns; (2) Effective intervention follows an Uncertainty Principle and a Decay Effect, requiring localization to early, high-entropy forks; (3) Naive steering vectors suffer from noise, risking collateral damage to correct trajectories. Based on these findings, we propose DynaSteer, a dynamic RepE framework. DynaSteer employs pattern clustering to disentangle reasoning manifolds and utilizes Fisher-LDA to project purified truth. By dynamically monitoring lookahead entropy, it selectively steers and rolls back trajectories only when necessary. Comprehensive experimental results on several MATH benchmark verify the effectiveness of DynaSteer, and experiments on out-of-domain coding tasks further confirm its generalization ability. Our code is publicly available at https://anonymous.4open.science/r/DynaSteer.

Applications · Chemistry, Physics, and Earth Sciences

Vincent Guan, Lazar Atanackovic, Kirill Neklyudov

The population dynamics of molecules, cells, and organisms are governed by a number of unknown internal and external forces. In the last decade, population dynamics have predominately 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 population dynamics that minimize Wasserstein Lagrangian action, rather than free energy. As our main theoretical contributions, we derive the Hamiltonian equations of motion from the principle of least population-level action and we show that these mechanics encompass classical mechanics, quantum mechanics, and gradient flows. We further leverage the Hamiltonian perspective to propose an algorithm that learns the population mechanics from observed marginals, without specifying the Lagrangian. We demonstrate that by directly learning the population mechanics, our method forecasts and interpolates unseen marginals without a reference process, and outperforms gradient flow and flow matching methods across a wide range of real and simulated experiments.

Deep Learning · Foundation Models

Qifan Yu, Xinyu Ma, Zhijian Zhuo, Minrui Wang, Deyi Liu, Shiyi Zhan, Yiyuan Ma, liang xiang, Xingyan Bin, Di He

Progressive Learning (PL) reduces pre-training computational overhead by gradually increasing model scale. While prior work has extensively explored depth expansion, width expansion remains significantly understudied, with the few existing methods limited to the early stages of training. However, expanding width during the mid-stage is essential for maximizing computational savings, yet it remains a formidable challenge due to severe training instabilities. Empirically, we show that naive initialization at this stage disrupts activation statistics, triggering loss spikes, while copy-based initialization introduces gradient symmetry that hinders feature diversity. To address these issues, we propose **SPARKLING** (balancing **S**ignal **P**reservation **A**nd symmet**R**y brea**K**ing for width-progressive **L**earn**ING**), a novel framework for mid-stage width expansion. Our method achieves signal preservation via RMS-scale consistency, stabilizing activation statistics during expansion. Symmetry breaking is ensured through asymmetric optimizer state resetting and learning rate re-warmup. Extensive experiments on Mixture-of-Experts (MoE) models demonstrate that, across multiple width axes and optimizer families, SPARKLING consistently outperforms training from scratch and reduces training cost by up to 35% under $2\times$ width expansion.

Deep Learning · Other Representation Learning

Beomjin Park, Seunghwan An, Sungchul Hong, Hosik Choi

Tabular data is one of the most fundamental and widely used formats for representing structured information. Classical machine learning algorithms continue to achieve substantial success in extracting predictive patterns and constructing accurate models from structured data; however, representation learning approaches that extend language-model-based methods to the tabular setting have opened new opportunities. Nevertheless, conventional tokenization procedures and token embedding mechanisms are not well-suited to numerical variables, as they fail to preserve key numerical properties, including proximity structure and ordinal relationships. To address this limitation, we propose TabularBERT, a Transformer-based model that discretizes numerical variables via binning-based tokenization and learns representations that preserve numerical proximity and ordinal information while capturing conditional dependencies among variables through masked self-supervised pretraining. We empirically demonstrate the effectiveness and interpretability of the proposed approach, highlighting the benefits of language-model-based representation learning in the tabular domain.

Deep Learning · Large Language Models

Jiawei Wang, Jiacai Liu, Yuqian Fu, Yingru Li, Xintao Wang, Yuan Lin, Lin Zhang, YuYue, Yang Wang, WANG KE

In long-horizon tasks, recent agents based on Large Language Models (LLMs) face a significant challenge that sparse, outcome-based rewards make it difficult to assign credit to intermediate steps. Previous methods mainly focus on creating dense reward signals to guide learning, either through traditional reinforcement learning techniques like inverse reinforcement learning or by using Process Reward Models for step-by-step feedback. In this paper, we identify a fundamental problem in the learning dynamics of LLMs: the magnitude of policy gradients is inherently coupled with the entropy, which leads to inefficient small updates for confident correct actions and potentially destabilizes large updates for uncertain ones. To resolve this, we propose Entropy-Modulated Policy Gradients (EMPG), a framework that recalibrates the learning signal based on step-wise uncertainty and the final task outcome. EMPG amplifies updates for confident correct actions, penalizes confident errors, and attenuates updates from uncertain steps to stabilize exploration. We further introduce a bonus term for future clarity that encourages agents to find more predictable solution paths. Through comprehensive experiments on three challenging agent tasks, WebShop, ALFWorld, and Deep Search, we demonstrate that EMPG achieves substantial performance gains and significantly outperforms strong policy gradient baselines.

Deep Learning · Algorithms

Huayu Deng, Jinghui Zhong, Xiangming Zhu, Yunbo Wang, Xiaokang Yang

High-fidelity measurements of continuum physical fields are essential for scientific discovery and engineering design but remain challenging under sparse and constrained sensing. Conventional reconstruction methods typically rely on fixed sensor layouts, which cannot adapt to evolving physical states. We propose LASER, a unified, closed-loop framework that formulates active sensing as a Partially Observable Markov Decision Process (POMDP). At its core, LASER employs a continuum field latent world model that captures the underlying physical dynamics and provides intrinsic reward feedback. This enables a reinforcement learning policy to simulate ''what-if'' sensing scenarios within a latent imagination space. By conditioning sensor movements on predicted latent states, LASER navigates toward potentially high-information regions beyond current observations. Our experiments demonstrate that LASER consistently outperforms static and offline-optimized strategies, achieving high-fidelity reconstruction under sparsity across diverse continuum fields.

General Machine Learning · Causality

Sofia Ek, Dave Zachariah

Learning beneficial treatment allocations for a patient population is an important problem in precision medicine. For such allocations, a certain proportion of treated patients may not receive any benefit. This proportion of unnecessary treated represents a `treatment risk' which is a waste of resources and may, in addition, expose patients to unnecessary adverse effects. Therefore, we aim to control the treatment risk when learning beneficial allocations. This learning problem is complicated by the fact that the treatment risk is generally not identifiable from either randomized trial or observational data. We propose a certifiable learning method that controls treatment risk, using finite samples in the partially identified setting. The method is illustrated using both simulated and real data.

Deep Learning · Large Language Models

Suhwan Kim, Taehyun Cho, Youngsoo Jang, Geon-Hyeong Kim, Yu Jin Kim, Moontae Lee, Jungwoo Lee

Reinforcement learning with verifiable rewards (RLVR) has enabled progress on reasoning-intensive tasks by relying on task-specific verifiers that provide automated correctness signals. However, many realistic language tasks are difficult to equip with reliable verifiers, motivating a growing reliance on reinforcement learning from human feedback (RLHF). In this setting, we argue that a closer examination of how human feedback should be interpreted is essential. We introduce Regret-based Preference Optimization (RePO), which reframes RLHF through *regret minimization* rather than reward maximization. Human preferences are often shaped by *prospective* anticipation of outcomes and *counterfactual* comparisons to alternative behaviors, rather than by immediate, outcome-independent utility. RePO captures this structure by modeling preferences as behavior-conditioned assessments of relative suboptimality. Within a KL-regularized reinforcement learning framework, RePO admits a closed-form policy update compatible with direct preference optimization. Experiments on mathematical reasoning benchmarks and human-annotated preference datasets demonstrate consistent performance gains, indicating that regret-based preference learning is an effective and human-aligned approach for training large language models.