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Computer Science Machine Learning

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Monday 1 June

Machine Learning · Cross-listed from cs.CV

GC-MoE: Genomics-Guided Cell-Type-Specific Mixture of Experts for Histology-Based Single-Cell Spatial Transcriptomics

Histology-based single-cell spatial transcriptomics (ST) estimation aims to predict gene expression for individual cells from histopathological images and cell locations, reducing the need for costly single-cell ST measurements. Unlike existing histology-to-ST methods that mainly predict spot-level profiles for local regions containing multiple cells, this task requires modeling cell-to-cell expression variability, which is strongly structured by cell type. We propose Genomics-Guided Cell-Type-Specific Mixture-of-Experts (GC-MoE), which estimates cell-type probabilities with a routing network and softly combines cell-type-specific experts for gene expression prediction. To further encode cell-type-dependent gene programs, we introduce the Cell-Type-Specific Co-Expression-Aware Predictor (CAP), together with a lightweight Cell-to-Cell Interaction Attention (C2CA) module for neighboring-cell context. Experiments and ablations on public single-cell ST datasets show consistent improvements over existing single-cell and adapted spot-level baselines.
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All authors Kaito Shiku, Ahtisham Fazeel Abbasi, Ryoma Bise, Yuichiro Iwashita, Kazuya Nishimura, Andreas Dengel, Muhammad Nabeel Asim

Machine Learning · Cross-listed from cs.CL

Investigating and Alleviating Harm Amplification in LLM Interactions

Large language models (LLMs) can serve as helpful assistants, yet they can equally function as harm amplifiers that enable malicious users to achieve harmful outcomes beyond their capabilities through extended interactions. This risk manifests along two axes, i.e., democratizing domain expertise that allows novices to produce specialized harmful content, and scaling harmful operations at volumes that manual effort cannot match. Existing works, however, often overlook how LLMs compound harm across multi-turn conversations. We introduce HarmAmp, a new benchmark for multi-turn harm amplification scenarios spanning twelve risk categories. Each scenario is grounded in real-world threats and satisfies rigorous criteria, i.e., substantive amplification, operational specificity, and multi-turn necessity. We further propose TrajSafe, a proactive monitor that anticipates harmful trajectories and intervenes through actions such as probing users' genuine intents and steering the models towards safer completion. Our extensive experiments demonstrate that TrajSafe significantly reduces the harmfulness incurred in multi-turn interactions while preserving a low over-refusal rate and the target model's general capabilities. Our work offers a promising paradigm to alleviate the nuanced safety risks in LLM interactions.
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Machine Learning

Local Conflict, Targeted Repair: A Perturbation Analysis of Multi-Domain RL

Reinforcement learning (RL) post-training improves large language models on individual domains but can degrade previously acquired capabilities. We study this interference in mathematical reasoning, code generation, question answering (QA), and creative writing (CW). Full-model domain gradients can be nearly orthogonal despite substantial selective degradation. Our structural analyses show sparse, weakly overlapping edits on computation routes that reasoning domains share, with directional alignment associated with transfer and conflict. A local perturbation model separates loss changes into a first-order term and a path-averaged curvature term, decomposes the latter along the actual rollback intervention, and provides a conditional explanation for recovery by short refresh. The experiments support this local sensitivity account. After Code $\rightarrow$ Math $\rightarrow$ QA $\rightarrow$ CW training, a short Re-Math refresh raises Math from 57.66 to 66.04 and achieves the highest average score among the evaluated baselines. A training-free rollback at a $9.8\%$ budget recovers $57.4\%$ of the QA-induced Math accuracy drop with a small QA change. Curvature probes at the Math checkpoint further show higher sensitivity along the selected direction than along matched random directions. Together, these results support sparse intervention and targeted refresh as effective ways to mitigate cross-domain degradation.
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Machine Learning

Policy and World Modeling Co-Training for Language Agents

Reinforcement learning (RL) improves large language model (LLM) agents by teaching them which actions lead to high rewards, but provides little supervision on what those actions do to the environment. World modeling (WM) can fill this gap, yet existing approaches often require separate simulators, extra training stages, or additional inference-time computation. We observe that on-policy RL rollouts already contain the needed signal: each transition pairs an action with its resulting next observation. Based on this observation, we propose PaW, a Policy and World modeling co-training framework that adds auxiliary WM supervision to the same policy during RL, without changing the inference paradigm. To make auxiliary WM supervision informative and stable, PaW introduces three components: action-entropy-based WM data selection, noise-tolerant WM loss, and reward-adaptive loss balancing. Experiments on three agentic task benchmarks show consistent improvements over strong RL baselines across models and RL algorithms. These results suggest that standard RL rollouts are a practical source of WM supervision for language-agent training.
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All authors Ning Lu, Baijiong Lin, Shengcai Liu, Jiahao Wu, Haoze Lv, Yanbin Wei, Lingting Zhu, Shengju Qian, Xin Wang, Ying-Cong Chen, Qi Wang, Ke Tang

Machine Learning · Cross-listed from q-bio.NC

How Optimality Structures Sparse Dictionaries: Theory for Interpreting SAE Representations

Sparse Autoencoders (SAEs) have found success parsing neural network representations into interpretable concepts, providing a basis for understanding and control. However, what exactly SAEs extract and, hence, the scientific conclusions we can draw from them are not obvious. In short, if your SAE behaves strangely, does that reflect interesting neural network behaviour or an SAE-imposed distortion? Towards answering this, we use dictionary learning identifiability results to derive constraints that optimal dictionary learning features must satisfy. For example, an optimal feature will never turn on only while another is active. We use these conditions to explain various SAE oddities - hierarchical splitting & absorption, which features can be left in the residuals, dense antipodal features, and infinite feature splitting - simply as properties imposed by the dictionary learning objective. Finally, these constraints are diagnostic: real SAEs pass when measured on the dataset on which they were trained, but increasingly fail as the test dataset becomes more `distant'. In sum, we hope to provide theoretical tools to explain puzzling SAE patterns, allowing more principled inferences about internal model behaviour.
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Machine Learning

TabPrep: Closing the Feature Engineering Gap in Tabular Benchmarks

Progress in tabular machine learning has largely focused on increasingly sophisticated model architectures. At the same time, feature engineering remains a critical yet underexplored component of real-world modeling pipelines that is entirely absent from modern benchmarks, which creates an unquantified evaluation gap. In this work, we introduce TabPrep, a lightweight preprocessing pipeline composed of feature generators that are carefully designed to target three specific structural data patterns. We show that many widely used model classes exhibit predictable blind spots to these patterns and that systematic feature engineering alone can establish new peak performance. Across the TabArena benchmark, integrating TabPrep into model training and tuning consistently improves performance for tree-based, neural, linear, and foundation models, often surpassing gains achieved by model-centric innovations alone. TabPrep outperforms previous automated feature engineering approaches in performance, efficiency, and applicability across datasets, enabling integration into large-scale benchmarks. By releasing TabPrep (see https://github.com/atschalz/tabprep), we enable researchers to integrate feature engineering into their benchmarking setup, filling a longstanding gap in tabular evaluations.
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All authors Andrej Tschalzev, Nick Erickson, Yuyang Wang, Huzefa Rangwala, Stefan Lüdtke, Heiner Stuckenschmidt, Christian Bartelt

Machine Learning · Cross-listed from cs.AI

A Mathematical Conflict Framework for Contextual Data Modulation

In this study, a generalized operator-based mathematical conflict framework is presented to explicitly represent structural discrepancies between raw data and contextual data. The proposed structure treats conflict as a local, directional, and context-sensitive quantity, integrating components such as weighting, scale behavior, and output mapping under a unified abstract operator. Without being reduced to a specific learning algorithm or optimization method, the framework is defined as a general structure adaptable to different classes of problems. While existing approaches typically treat conflict merely as an implicit side effect embedded within the optimization process, the proposed framework considers conflict as an independent, operator-based, and component-level mathematical object.
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Machine Learning

When Do Attention Circuits Form? Developmental Trajectories of Capability and Attention-Sink Emergence Across Three 1B-ClassArchitectures

We track the developmental trajectory of attention-head circuit formation across three 1B-class language models spanning two architecture families (dense transformer, mixture-of-experts) and two pretraining corpora (The Pile, DCLM): Pythia 1B, OLMo 1B-0724-hf, and OLMoE 1B-7B-0924. At each of 10 log-spaced revisions per model – 30 mechanistic-interpretability runs in total – we apply a participation-ratio (PR) spectral signal and an all-head capability-specific selectivity screen to track induction, previous-token, and BOS-attractor heads as they emerge. Five findings. (F1) Layers 0 and 1 produce zero BOS-classified heads at every revision in every model: the L0/L1 zero-BOS floor is an architectural property, not a learned outcome. (F2) The whole-model BOS-attractor fraction follows three distinct emergence shapes – a gradual ramp in Pythia 1B, a sharp phase transition in OLMo 1B (7% to 70% between adjacent checkpoints), and a gradual ramp in OLMoE 1B-7B. (F3) In DCLM models, induction-circuit formation precedes BOS-attractor formation by 10-20x in tokens; capability-circuit formation and attention-sink formation are two transitions, not one. (F4) The capability-specific screen converges to the final induction circuit within 0.3-2% of total training tokens – circuit identification does not require the final model. (F5) For every final-checkpoint induction head sampled across all three models, per-head PR is elevated at or before the first revision at which that head crosses its capability-selectivity threshold. The results refine the induction-phase-transition framing: in 1B-class models trained on DCLM, the induction transition and the attention-sink transition are separated by an order of magnitude in tokens and have qualitatively different shapes.
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Machine Learning

FOAM: Frequency and Operator Error-Based Adaptive Damping Method for Reducing Staleness-Oriented Error for Shampoo

Shampoo is attracting considerable attention for its superior performance on large-scale optimization benchmarks; yet it faces a significant practical bottleneck: the prohibitive computational overhead of matrix inversion. To mitigate this, practitioners typically rely on stale preconditioner updates, creating a fundamental trade-off between computational efficiency and optimization fidelity. In this work, we provide a theoretical study of staleness through the complementary lenses of convergence and stability. While staleness improves computational efficiency, it inherently degrades performance and introduces numerical instability. Crucially, we identify that damping, acting as a numerical stabilizer, can effectively suppress these negative effects. Guided by this analysis, we propose FOAM, an adaptive algorithm that stabilizes training by dynamically controlling both the damping factor and the eigendecomposition frequency based on an approximation of the staleness-oriented error. Experimental results demonstrate that FOAM reduces wall-clock time compared to standard Shampoo while maintaining robust convergence.
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Machine Learning

Minimax-Optimal Policy Regret in Partially Observable Markov Games

We study sequential decision-making in partially observable environments against strategic, adaptive opponents, modeled as partially observable Markov games (POMGs). The central challenge is to learn latent dynamics from partial observations while facing an adversary whose behavior depends on the learner's strategy, making standard regret notions inadequate. We prove that an epoch-based optimistic maximum-likelihood algorithm achieves ${\tilde{O}}(\sqrt{T})$ policy regret for fixed problem parameters, with explicit dependence on the horizon, adversary memory, confidence radius, and the aggregate Eluder dimension of the observable-operator error classes. The algorithm deploys one policy per epoch, with geometrically capped epoch lengths, confidence sets built cumulatively from past data, and a statistical termination test that ends an epoch as soon as the data refute the deployed optimistic model. We also prove a matching lower bound, and extend the framework to horizon-adaptive guarantees and geometrically fading adversary memory.
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Machine Learning · Cross-listed from cs.AI

SIRI: Self-Internalizing Reinforcement Learning with Intrinsic Skills for LLM Agent Training

Long-horizon LLM agents can benefit from reusable skills, yet existing skill-based methods often rely on external skill generators during training or persistent skill retrieval at inference, increasing engineering complexity, context length, and deployment latency. We propose Self-Internalizing Reinforcement learning with Intrinsic skills (SIRI), a three-phase framework that enables agents to discover, validate, and internalize skills without external skill generators or inference-time skill banks. SIRI first warms up the policy with GiGPO to acquire basic interaction ability and collect successful skill-free trajectories. It then performs self-skill mining, where the current policy summarizes compact skills from its own successful plain rollouts and validates them through paired skill-augmented and skill-free rollouts. Finally, SIRI distills only beneficial skill-guided action tokens into the plain policy using trajectory-level utility and action-level advantage. At inference, the agent runs with the original prompt only. On ALFWorld and WebShop with Qwen2.5-7B-Instruct, SIRI improves GiGPO from 0.908 to 0.930 on ALFWorld and from 0.728 to 0.813 on WebShop, outperforming prompt-based, RL-based, and memory-augmented baselines. Further analysis shows that our self-mining strategy can achieve performance comparable to distillation with closed-source large model. Our code is available at https://github.com/kirito618/SIRI.
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All authors Zhongyu He, Yuanfan Li, Fei Huang, Tianyu Chen, Siyuan Chen, Xingyang Li, Meng Hsuan Yu, Xiangrong Liu, Leyi Wei, Lu Pan, Ke Zeng, Xunliang Cai

Machine Learning

Local Preferential Bayesian Optimization

Bayesian optimization (BO) is a popular and effective approach for tuning expensive, noisy experiments, but requires the formulation of an explicit objective function. Preferential BO (PBO) removes this requirement by learning from pairwise human feedback, yet existing methods struggle to efficiently optimize beyond low- and medium-dimensional problems due to their global search approaches. We address this limitation by developing a family of local PBO methods that transfer key ideas from high-dimensional BO to the preferential setting. In particular, we introduce local PBO methods which adapt trust-region and derivative-informed local search to pairwise preference feedback, where the latter exploits first- and second-order derivatives of the Laplace-approximated GP posterior. Our benchmark on GP sample paths, standard optimization benchmark functions, and policy-search tasks shows that local PBO methods are especially effective in high-dimensional and complex landscapes with steep optima. Compared with global preference-based baselines, they can substantially reduce cumulative regret, making them particularly useful for real-world preference-based optimization tasks such as policy search.
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All authors Johanna Menn, Miriam Kober, Paul Brunzema, David Stenger, Sebastian Trimpe

Machine Learning · Cross-listed from stat.ML

Doing well with less! On Sampling Techniques for Empirical Pairwise Loss Estimation/Minimization

Many machine learning problems, including similarity learning, ranking, and clustering, rely on empirical pairwise loss functions whose quadratic computational cost quickly becomes prohibitive at scale. We demonstrate how a frugal approach that retains only a fraction of the available information on pairs can achieve estimation or optimization performance comparable to that obtained by using all pairs, by leveraging survey sampling techniques. A central finding, supported by both theory and experiments, is that such sampling plans must target pairs directly rather than individual observations. In particular, for pairwise losses between high-dimensional vectors such as embeddings in vision or graph learning, assigning higher inclusion probabilities to informative pairs using suitable auxiliary information yields performance close to full pairwise evaluation, providing a principled and theoretically grounded trade-off between accuracy and computational cost.
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Machine Learning · Cross-listed from cs.SD

Parameter-efficient Dual-encoder Architecture with Differentiable Choquet Integral Fusion for Underwater Acoustic Classification

Underwater acoustic classification has a wide array of oceanic applications, but faces challenges due to an increasingly complex acoustic environment. Waveform and spectrogram representations have been primarily used as acoustic data features for classification tasks in this domain. Spectrograms model harmonic dependencies, but these reduced representations can filter out acoustic features relevant for discrimination. While phase information from the waveform allows full characterization of the signal, the original waveform can be noisy and complex, rendering this representation difficult for models to process directly. This paper proposes a dual-encoder neural architecture to simultaneously process acoustic waveforms and spectrograms, leveraging pre-trained backbones and parameter-efficient fine-tuning modules, enabling a domain adaptation. To combine these adapted branches, a novel differentiable fuzzy aggregation mechanism based on the Choquet integral is introduced to balance the temporal and spectral representations. This fusion strategy not only yields higher classification accuracy but also provides interpretability. Specifically, by analyzing the learned fuzzy measures, insights are revealed about class-specific shifts in the network's representation reliance. By dynamically shifting attention to the representation least corrupted by potential asymmetric channel distortions, the proposed gating mechanism mitigates the non-stationary challenges of the underwater environment. Evaluations on the DeepShip and ShipsEar datasets demonstrate that the proposed architecture achieves classification improvements over independent single-encoder baselines, while simultaneously restricting the trainable parameter space. This mitigates the risk of overfitting on limited acoustic datasets while alleviating the computational costs associated with fully fine-tuning foundation models.
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Machine Learning

Entropy Minimization without Model Collapse: Mitigating Prediction Bias in Medical Imaging

Entropy minimization (EM) is the dominant objective for test-time adaptation, yet its failure mode, model collapse, remains poorly understood. In this work, we show that distribution shifts can cause feature clusters corresponding to distinct classes in the model's representation space to merge, while the decision boundary remains fixed. This induces a systematic skew in the predicted class distribution, referred to as prediction bias. Prediction bias refers to a shift in the predicted class distribution, with some classes overrepresented and others suppressed. We show that entropy minimization amplifies this prediction bias by tightening the existing clusters, reinforcing the incorrect groupings until all predictions collapse to a trivial solution. Next, to demonstrate the significance of prediction bias and mitigate it, we further propose Distribution Shift Bias Reduction (DSBR), a bias-correcting objective that specifically targets this failure mode by equalizing the contribution of each predicted class to the unsupervised entropy minimization loss. To study this failure mode, we design suitable adaptation settings using four medical-imaging datasets and additionally evaluate on ImageNet-C. We find that DSBR consistently stabilizes test-time adaptation, prevents model collapse, and matches or outperforms state-of-the-art methods. Moreover, DSBR operates solely at test-time.
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All authors Tim Nielen, Sameer Ambekar, Johannes Kiechle, Daniel M. Lang, Julia A. Schnabel

Machine Learning · Cross-listed from cs.AI

Forget Attention: Importance-Aware Attention Is All You Need

Attention retrieves content precisely, but its scores depend only on query–key products, leaving order and recency to positional encodings. Conversely, state-space models (SSMs) such as Mamba-3 track order and recency through input-dependent state transitions that decay and rotate, yet compressing context into a fixed-size state hampers precise retrieval. Hybrids like Samba and Hymba exploit this complementarity only across layers or heads, so SSM transitions never shape attention scores directly. The closest prior work, the Forgetting Transformer (FoX), adds an input-dependent forget gate to the scores but reweights attention by recency alone. We propose SSM-Informed Softmax Attention (SISA), which builds Mamba-3-style state transitions, rotation included, directly into the scores alongside FoX's gate. Each logit receives the weight such an SSM would give that token pair: a decayed match between rotated SSM projections. This rotation already encodes relative position, so SISA drops RoPE; restoring it raises loss. SISA outperforms parameter-matched Transformer and FoX in language modeling and length extrapolation. Among the attention models we compare, hybrids included, only SISA benefits from context beyond the training window. Building SSM transitions into the scores yields stronger attention, and our kernels make it faster and leaner than baselines on their official or standard kernels.
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Machine Learning · Cross-listed from cs.CV

Hallucination-Aware Diffusion Sampling for Inverse Problems via Robust Prior Updates

Diffusion-based inverse problem solvers can produce realistic reconstructions, but realism alone does not ensure that the recovered details are supported by the measurement. We study this failure as measurement-conditioned hallucination: visually meaningful content that is either implausible or inconsistent with the measured instance. Our analysis separates Bayes-rule-based diffusion inverse solvers into a prior update and a measurement-conditioning step, showing that hallucinated content can enter through the prior-side proposal before the measurement correction is applied. Motivated by this view, we propose Robust Prior Update (RPU), a solver-level module that probes the local stability of the diffusion prior update, re-anchors the resulting displacement at the current iterate, and leaves the measurement update unchanged. We instantiate RPU in DPS and evaluate it on FFHQ and ImageNet inverse problems using automatic metrics and human faithfulness studies. On FFHQ, RPU improves PSNR and LPIPS over DPS across box inpainting, Gaussian deblurring, and motion deblurring. In human judgments, RPU receives 91.9% of blind non-tie majority preferences and 91.1% of ground-truth-assisted non-tie preferences on FFHQ box inpainting, while the ImageNet Gaussian reader study is tie-heavy but favors RPU among non-tie cases. These results support a targeted claim: robustifying the prior update can improve instance faithfulness in diffusion inverse solvers, especially when the prior shapes weakly constrained content.
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All authors Pengfei Jin, Yiqi Tian, Kailong Fan, Bingjie Qi, Quanzheng Li

Machine Learning

Riemannian Gradient Descent for Low-Rank Architectures

We explore Riemannian optimization techniques for rank-factored matrix parameters, targeting contemporary deep learning applications. We examine ten points in the algorithm design space: two geometries for rank-$r$ matrices, three geometries for rank-$r$ partial isometries, and block-matrix variants of these five, where factors are shared across block-rows and block-columns. We apply our methods to the multihead attention parameters in small language models. After tuning learning rates, our methods do not conclusively outperform an AdamW baseline. Our implementations are available online.
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Machine Learning

Repurposing Adversarial Perturbations for Continual Learning: From Defense to Active Alignment

In dynamic environments, large language models need to keep adapting to new tasks, but continual learning often suffers from forgetting, limited transfer, and vulnerability to adversarial perturbations. To address this, we present AdvCL, which repurposes adversarial perturbations as a geometric control signal for stable continual adaptation. AdvCL combines three plug-in modules: Intra-Smooth promotes local smoothness via small adversarial perturbations; Proto-Clip uses similarity clipping to prevent excessive alignment to current task prototype; and Inter-Align applies directional alignment toward previous task prototype to reduce representational gaps. Experiments show consistent gains in both standard performance and robustness, with lower forgetting and stronger transfer. We further analyze key mechanisms by quantifying the sensitivity of Intra-Smooth to perturbation settings and the effect of Inter-Align on task similarity and geometric distance. In summary, the modules provide complementary gains when combined, and each can also be integrated individually into diverse CL paradigms, including replay, regularization, and dynamic architectures, thereby offering a geometric control mechanism for continual learning.
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All authors Ran Liu, Min Yu, Mingqi Liu, Jianguo Jiang, Gang Li, Rongsheng Li, Ning Li, Zhen Xu, Weiqing Huang, Ming Liu

Machine Learning · Cross-listed from cs.CV

Deep Learning for Remote Sensing to Improve Flood Inundation Mapping

Flooding is the most pervasive natural disaster worldwide. Timely and accurate flood inundation mapping are essential for informing disaster risk management. Optical satellite missions provide high-resolution, multispectral observations critical for flood detection and inundation mapping. However, their operational utility is severely constrained by cloud cover during extreme precipitation events. Conventional cloud-removal techniques based on temporal compositing or interpolation often fail to capture inundation dynamics. In this study, we introduce a cloud-removal framework for flood imagery based on Denoising Diffusion Probabilistic Models, leveraging the Masked Diffusion Transformer architecture. The proposed approach exploits self-attention mechanisms to capture wider spatial context and employs masked token modeling to explicitly learn the reconstruction of cloud-obscured regions. Trained on multispectral Sentinel-2B flood scenes with realistic cloud patterns, the model generates cloud-free image realizations that preserve both visual fidelity and hydrological consistency. Reconstruction performance is evaluated using standard image quality metrics alongside flood-specific hydrological measures, demonstrating improved continuity of water bodies and preservation of spectral signatures critical for water detection indices. The results indicate that diffusion-based generative modeling offers a robust and physically consistent alternative for cloud removal in optical flood monitoring, enabling more reliable, continuous observations to support disaster risk management and flood-related decision making.
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All authors Yogesh Bhattarai, Vijay Chaudhary, Wai Lim Ku, Sanjib Sharma

Machine Learning

Measurement Geometry and Design for Trustworthy Generative Inverse Problems

Generative models are increasingly used as priors for inverse problems, but their ability to produce realistic images creates a basic trust problem: a plausible reconstruction may be supported by the measurements, or it may be filled in by the prior along unobserved directions. This distinction is especially important in medical imaging, where acquisition operators are designed under scan-time, dose, and calibration constraints. We study generative inverse problems from a measurement-geometry perspective. The central question is whether a fixed measurement operator can distinguish nearby images that are plausible under the generative prior, and whether this relationship can guide better measurements. We introduce a local measurement-manifold compatibility measure that quantifies how well the operator observes prior-relevant tangent directions. Under local regularity assumptions, we prove that this quantity controls the stable part of the reconstruction error, while the generative prior controls off-manifold drift. This worst-direction certificate motivates practical fixed and sequential acquisition rules based on overall local volume preservation, including a posterior-cloud design that adapts measurements at test time without training a sampling policy. Across row-sampling, tomographic, and MR acquisition settings, the proposed scores predict failure modes, explain measurement-induced hallucinations, and guide better sampling. In fastMRI Cartesian sampling, posterior-cloud measurement design improves over strong non-learned ACS-preserving baselines, including variable-density and Poisson-like masks.
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Machine Learning

Regularized Large Neighborhood Search

Operations research practitioners typically tackle NP-hard combinatorial problems using large neighborhood search (LNS), a scalable heuristic that iteratively refines a current solution by locally re-optimizing subsets of its variables. In contrast, most existing approaches for integrating combinatorial optimization layers into neural networks still assume access to an exact global solution, which is computationally intractable. We bridge this gap by introducing regularized LNS (RLNS). By regularizing or perturbing local subproblems, we turn the LNS heuristic into an efficient MCMC sampler over the combinatorial set of feasible solutions, with associated Fenchel-Young losses. Under entropic regularization, we prove that RLNS performs exact block Gibbs sampling. Furthermore, adjusting the number of RLNS iterations allows us to interpolate between pseudolikelihood and exact maximum likelihood estimation, for end-to-end learning without global solvers. We demonstrate our approach on $k$-subset selection, generalized assignment, and stochastic vehicle scheduling problems.
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All authors Germain Vivier-Ardisson, Laurent Demonet, Axel Parmentier, Mathieu Blondel

Machine Learning

Massive Spikes in LLMs are Bias Vectors: Mechanistic Uncovering and Spike-Free Quantization

Massive activation spikes in Large Language Models (LLMs) severely degrade quantization by stretching dynamic ranges. While prior hypotheses characterize these as high-level scalar biases, we argue that they are merely the scalar intermediates of rigid, structural vector biases in the spike-carrying tokens. We show that these tokens converge to constant vectors after normalization that drive the attention sink and value-state drain mechanisms. We geometrically substantiate this by analyzing the coordination of projection weights: $W_K$ contrastively amplifies the vector, $W_Q$ aligns semantic tokens toward it, and $W_V$ projects it into the spectral null-space. Furthermore, we reveal that the model actively preserves these structural biases against Rotary Positional Embedding (RoPE) perturbations by localizing them in "zones of rotational stability" utilizing low-frequency bands and coherent channel pairs. Leveraging this, we propose INSERTQUANT, a post-training quantization (PTQ) framework that clamps spikes and restores their function via pre-computed template vectors. This renders activations strictly spike-free, enabling robust low-bit quantization with high fidelity. INSERTQUANT achieves parity with state-of-the-art per-tensor quantization methods on LLMs and uniquely generalizes beyond text to other modalities such as ViTs.
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All authors Yung-Chin Chen, Chung Peng Lee, Ze-Wei Liou, Naveen Verma

Machine Learning

CityTrajBench: A Unified Benchmark for City-Scale Vehicle Trajectory Generation

Urban trajectory generation is a fundamental task for transportation simulation, urban planning, and mobility analytics. However, systematic comparison across trajectory generation methods remains difficult because existing studies often rely on different datasets, preprocessing pipelines, trajectory representations, and evaluation metrics. This fragmentation makes it unclear whether reported performance differences arise from the generation mechanism itself or from inconsistent experimental protocols. To address this issue, we present CityTrajBench, a unified benchmark framework and protocol for city-scale vehicle trajectory generation. CityTrajBench standardizes data ingestion, trajectory normalization, feature construction, model adaptation, map-aware post-processing, model selection, and multi-level evaluation under a common setting. It supports heterogeneous generators, including statistical baselines, VAE-based, GAN-based, diffusion-based, and flow-matching-based models, and evaluates them on three real-world urban trajectory datasets. The benchmark measures global spatial realism, trip-level distribution fidelity, trajectory-level geometric similarity, conditional mobility consistency, and efficiency. Experiments reveal clear trade-offs across model families: DiffTraj is strongest on trajectory-level geometric fidelity, DiffRNTraj is competitive on structure-sensitive global realism, and TrajFlow provides a strong balance across realism, quality, conditional consistency, and efficiency. Meanwhile, a simple Markov baseline remains competitive on coarse-grained trip and local-movement statistics. These findings show that urban trajectory generation quality is inherently multi-objective, that no single model dominates all criteria equally, and that CityTrajBench provides a reproducible benchmark protocol and testbed for future research on urban mobility generation.
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All authors Shibo Zhu, Xiaodan Shi, Dayin Chen, Yuntian Chen, Haoran Zhang, Tianhao Wu, Jinyue Yan

Machine Learning · Cross-listed from eess.SY

Physics-Guided Recurrent State-Space Neural Networks for Multi-Step Prediction

State-space models are traditionally based on physical knowledge, but multi-step predictions from these physical models can be poor due to model inaccuracy. Black-box deep learning has shown promise as an alternative. However, these methods rely on the availability of large datasets and potentially available physical knowledge is neglected. We propose the PG-RSSNN, a physics-guided recurrent state-space neural network that incorporates recurrent structures to enable the use of non-saturating activation functions in multi-step prediction. It mitigates the vanishing gradients and eliminates the risk of numerical divergence in training seen in existing structures that feed back state estimates. Results across multiple systems with various physical model imperfections, from linear state-space models with Gaussian noise to a robotic arm and a cascaded water tank system, show that the proposed PG-RSSNN maintains stable training behavior, and improves multi-step predictions, as compared with black-box neural networks and physics-only models, even with limited training data and when physical models are only partially known.
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Machine Learning · Cross-listed from cs.CV

Selective Linkage Precision for Released Medical Vision-Language Models

Hospitals may release de-identified chest radiographs while restricting access to their reports. An attacker who already has reports from the same population and their metadata can use a vision-language model (VLM) to match images to reports. We introduce selective linkage precision, which measures correct matches among the highest-confidence queries after filtering candidates by the available attributes. Across 8 public VLMs and 3 chest radiograph datasets, the maximum whole-pool Recall@1 is 0.40%. However, this metric averages over every query without attribute filtering. On ReXGradient-160K, MedSigLIP-448 reaches 67.68% precision at a budget of 100 after filtering by sex, age band, and projection, with a median of 327 candidate reports. On the same eligible query set, an attribute-only policy reaches 24.99% and the model alone reaches 1.98%. Adding acquisition year, available in only 1 of the 3 datasets, yields 99.05% precision and a median of 24 candidates. Uniform guessing on the observed selected queries has an expected precision of 19.91%. Expanding the primary-setting collection to all 123,100 ReXGradient studies lowers precision to 37.23%. On BioViL-T, the tested head finetuning procedures do not lower linkage below the public checkpoint. Selective linkage precision requires inference without retraining and could help hospitals evaluate which attributes to publish.
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All authors Soroosh Tayebi Arasteh, Mahshad Lotfinia, Sven Nebelung, Daniel Truhn

Machine Learning

A combination of noise and bilateral filters achieve supralinear and scalable adversarial robustness in CNNs

The vulnerability of deep neural networks to adversarial examples poses a significant challenge for real-world deployment. Existing techniques to enhance deep network robustness rely on adversarial training, an approach that is powerful but computationally intensive and typically tailored to specific attack types. To address these limitations, existing works have explored techniques such as adding gaussian noise or filtering images, both of which can boost the network robustness to various adversarial attacks, albeit modestly. Here, we theoretically demonstrate that these two approaches enhance robustness against adversarial attacks through complementary mechanisms, resulting in supralinear robustness when combined. Building on this insight, we experimentally show that a simple preprocessor combining Gaussian noise and bilateral filtering yields supralinear improvements in adversarial robustness with minimal computational cost. Next, we combine our preprocessor with adversarial training and test on RobustBench to assess its supralinear improvement over state-of-the-art defenses. First, this combination ranks second on AutoAttack and third overall, while using only $\sim$35% of the training FLOPs, using a model with $\sim$50% less parametets, trained with $\sim$33% of the epochs and $\sim$15% the data compared to state-of-the-art defenses. Second, our method scales efficiently, matching the accuracy of competing models with roughly 2-8x less total compute across 3 orders of magnitude. Overall, our approach provides a principled and easily integrable framework for enhancing adversarial robustness, offering negligible computational overhead and a simple yet theoretically grounded design.
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All authors Nicolas Stalder, Benjamin F. Grewe, Matteo Saponati, Pau Vilimelis Aceituno

Machine Learning

ArrythML: An Autoencoder-Based TinyML Approach for On-Device Arrhythmia Detection on Resource-Constrained Embedded Systems

Our work presents a method for ECG segmentation and arrhythmia detection using Tiny Machine Learning (TinyML) models for real-time, on-device inference on resource-constrained embedded systems. We develop INT8 quantized autoencoder-based TinyML models with minimal layers and parameters for embedded deployment. These models are evaluated using a custom dataset derived from the MIT-BIH Arrhythmia Database and validated in both PC-based simulations and on-device environments. For the evaluations, over 95,000 ECG segments are processed on an ESP32-S3 microcontroller running the TensorFlow Lite Micro runtime. Post-evaluation, detailed analysis, including annotation-wise and record-wise failure analysis, is conducted to characterize model behavior across diverse ECG morphologies and rhythm patterns and to explain missed detections. In several cases, apparent misclassifications may correspond to early or subtle anomaly patterns labeled as normal in the reference annotations, highlighting the model's sensitivity. A refined evaluation by filtering out ambiguous cases in the dataset shows that the best-performing DNN-based autoencoder achieves a recall of 84%, an F1-score of 79%, a model size of approximately 180 KB, and an inference latency of 9 ms on-device. These results demonstrate the feasibility of low-power, privacy-preserving embedded wearable systems capable of performing accurate arrhythmia detection entirely on-device.
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Machine Learning · Cross-listed from stat.ML

ShaplEIG: Bayesian Experimental Design for Shapley Value Estimation

Shapley values are a principled attribution measure widely used in interpretable machine learning, but their exact computation scales exponentially with the number of players, motivating a wide range of approximation methods based on value function evaluations of sampled coalitions. This raises the question of whether approximation accuracy can be improved by adaptively selecting coalitions for evaluation based on previous evaluations. This is particularly relevant in settings where the value function is costly and the number of evaluations is severely limited, such as retraining-based feature importance, data valuation, and hyperparameter importance. For this purpose, we propose ShaplEIG, a Bayesian experimental design approach that approximates the expensive value function using a Gaussian process surrogate and adaptively selects coalitions based on their expected information gain about the Shapley values. By the linearity of the Shapley values in the value function, we show that the expected information gain is available in closed form. Furthermore, we propose an efficient computation scheme that reduces the complexity from exponential to polynomial in the number of players via elementary symmetric polynomials. In extensive experiments across diverse costly applications, our method consistently improves sample efficiency in the low-budget regime over state-of-the-art baselines.
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All authors David Rundel, Fabian Fumagalli, Maximilian Muschalik, Bernd Bischl, Matthias Feurer

Machine Learning · Cross-listed from cs.CV

Analyzing the Optimization Conflict Between Image- and Text-Based Person Re-Identification

Unifying image-based (I2I) and text-based (T2I) person re-identification (ReID) within a single model is complicated by a fundamental conflict between their training objectives. While I2I ReID focuses on identity-level invariance across images of the same person captured by multiple cameras, T2I ReID is driven by instance-specific textual descriptions tied to unique visual traits. When both objectives are optimized on a shared vision encoder, they impose opposing requirements on the same embeddings - I2I contracts intra-identity distances while T2I requires them to persist - so improving one task's representation actively degrades the other's. This paper analyzes this optimization conflict and shows empirically that the two objectives are not jointly satisfiable by a single unconstrained encoder. Motivated by this finding, we investigate the conflict through a controlled two-stage pipeline: a shared vision encoder is first trained for I2I invariance, then frozen while only the text encoder is aligned to the fixed visual space, preventing the T2I objective from unwinding the identity-level structure already learned. We conduct extensive experiments across multiple configurations, varying domain-mixing procedures, learning strategies, and task objectives. We observe that I2I pre-training improves subsequent T2I performance, while textual supervision during this pre-training further improves T2I performance, although the vision encoder is frozen during subsequent cross-modal training. We believe these insights provide a meaningful step toward unified ReID systems that reconcile identity-level and instance-level supervision within a single representation.
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