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Computer Science Machine Learning

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Friday 10 July

Machine Learning

Neural Collapse Is Forbidden: Information Floors in Language Models

Within-class variance in language-model representations is commonly read as incomplete neural collapse. We argue it is allocated information storage, and that the allocation obeys a law. A one-line centering identity voids a family of simplex equiangular-tight-frame claims, including our own earlier ones; in dimensionless variance shares across 14 models, macro-category structure carries only 4-12% of representational variance and within-token context carries 79-91%, stable across a 100x parameter range. On the theory side, token-level weight decay penalizes a category in proportion to its type count, not its occurrence mass, reducing next-token prediction to an imbalanced K-class problem whose optimum orders category norms by type count. A converse floor, proved for binary categories, forces within-category dispersion to be at least proportional to the conditional mutual information I(token; context | category). The law holds: identity dispersion, not total variance, tracks this information across every tested model and partition, under a model-free estimate and even across models, where one model's information predicts another's dispersion; and over pretraining the category share overshoots, decays, and partially recovers, because the information it must carry never left.
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Machine Learning · Cross-listed from cs.CV

Foveation-Guided Dynamic Token Selection for Robust and Efficient Vision Transformers

The human visual system (HVS) employs foveated sampling and eye movements to achieve efficient perception, conserving both metabolic energy and computational resources. Drawing inspiration from this robustness and adaptability, we introduce the Foveated Dynamic Transformer (FDT), a foveation-guided dynamic token-selection architecture that integrates these mechanisms into a vision transformer framework. The FDT exhibits strong resilience to various types of noise and adversarial attacks, despite not being explicitly trained for such challenges. This inherent robustness is achieved through the use of fixation and foveation modules: the fixation module identifies fixation points to filter out irrelevant information, while the foveation module generates foveated embeddings with multi-scale information. At the 50% fixation-budget setting, FDT achieves higher accuracy than DeiT-S (81.9% vs. 80.9%) while reducing multiply-accumulate operations by 34.57%, highlighting one operating point on its accuracy-efficiency trade-off. These attributes position FDT as an HVS-inspired step toward artificial neural networks that combine adaptive computation with improved resilience.
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All authors Ibrahim Batuhan Akkaya, Kishaan Jeeveswaran, Bahram Zonooz, Elahe Arani

Machine Learning

Active rejection enables reliable generalization of universal machine-learning interatomic potentials

Universal machine learning interatomic potentials (uMLIPs) bridge quantum-mechanical accuracy and large-scale molecular dynamics, but the cost of high-accuracy calculations such as r$^2$SCAN limits training to datasets that remain small relative to the open materials space. Strong average benchmark performance also does not guarantee reliable energy–force predictions for every structure. We propose Adaptive Multi-Teacher Routing (ATR), which reformulates high-fidelity data construction as a structure-wise decision problem under uncertainty. Using a small set of real r$^2$SCAN labels, ATR calibrates multiple pretrained uMLIP teachers and combines structural descriptors, teacher identity, and inter-teacher disagreement to estimate the reliability of each structure–teacher pair. It selects high-confidence predictions for pseudo-label generation and rejects structures for which no teacher is sufficiently reliable. With real r$^2$SCAN labels for only 0.2% of candidate structures, ATR distils 2.89 million traceable r$^2$SCAN-level pseudo-labels for pretraining. On held-out r$^2$SCAN structures and the MP-r$^2$SCAN benchmark, a lightweight CHGNet trained on the ATR-generated dataset consistently outperforms the baseline and non-routed controls. Finite-temperature molecular dynamics further shows that ATR improves dynamical robustness across multiple material systems, maintaining stable trajectories where baseline simulations undergo catastrophic structural collapse. These results establish active rejection as an effective mechanism for converting multiple pretrained uMLIPs into a scalable and reliable data-construction system for high-fidelity uMLIPs.
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All authors Mingxiang Luo, Xinnan Mao, Lu Wang, Lei Bai, Feng Ding, Yuqiang Li

Machine Learning · Cross-listed from cs.CV

Robustifying Vision-Language Models via Test-Time Prompt Adaptation

Pre-trained Vision-Language Models (VLMs) such as CLIP achieve strong zero-shot generalization, but their performance degrades sharply under adversarial perturbations. Existing test-time adaptation methods typically rely on sample-level confidence heuristics, overlooking the intrinsic distributional structure of the data. This sample-centric approach limits robustness, as it fails to distinguish confident adversarial mispredictions from true semantic consistency. In this work, we observe that adversarial distortion is structurally brittle: while holistic representations are corrupted, semantic integrity is often preserved in the distribution of augmented views. Motivated by this insight, we propose RITA, a Robust test-tIme prompt-TAdaptation framework that shifts from sample-level estimates to distribution-level alignment. Specifically, RITA employs optimal transport to align the distribution of augmented visual features with textual prototypes, mitigating adversarial outliers and rectifying cross-modal semantic misalignment. Furthermore, we introduce a dynamic cache to progressively accumulate reliable cues from the test stream for online refinement. Extensive experiments demonstrate that RITA significantly improves adversarial robustness without compromising clean accuracy.
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All authors Xingyu Zhu, Huanshen Wu, Shuo Wang, Beier Zhu, Jiannan Ge, Jiaheng Zhang, Long Chen

Machine Learning · Cross-listed from cs.CL

Test-Time Scaling for Small VLMs on Multilingual Visual MCQ

Test-time scaling (TTS) reliably improves reasoning in large language models, but whether it transfers to small open vision-language models remains unclear. We examine this on EXAMS-V, a multilingual visual multiple-choice benchmark, comparing self-consistency, describe-then-reason with PRM-guided beam search, and two post-hoc selectors across Qwen2.5-VL-7B-Instruct and Qwen3.5-4B. What matters is the conditions under which TTS runs, not the search or verification machinery. The largest factor is parseability: an early prompt format left many chains reasoning correctly yet never committing to an answer letter, which a standard answer cue and a guided repair step largely remove. A larger decoding budget removes the rest: raising the per-chain token limit from 1k to 2k recovers 3.7 pp, whereas sampling more chains (8 to 16) adds only 0.15 pp. Once chains have room to finish, elaborate methods contribute little: PRM-guided beam search trails plain self-consistency by 0.39 pp at over eight times the cost, and neither a training-free generative critic nor a trained multimodal PRM beats majority vote across both policies. The largest gain comes instead from the policy model itself (+11.4 pp). Our best configuration reaches 84.1% on the held-out ImageCLEF 2026 test split, ranking first on the Visual MCQ leaderboard.
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Machine Learning · Cross-listed from cs.CV

Multimodal Scenario Similarity Search for Autonomous Driving

Large-scale autonomous-driving datasets contain vast numbers of recorded scenarios, creating a need for efficient retrieval methods that can identify situations similar to a given query. Existing approaches typically rely on either visual representations or motion-based descriptions, making it difficult to understand their relative strengths and limitations for scenario retrieval. In this work, we present a multimodal framework for autonomous-driving scenario retrieval that combines visual and trajectory-based representations within a unified retrieval pipeline. We investigate two trajectory-based approaches: Exo-Trajectory, an explicit matching method based on surrounding-agent motion, and ScenarioFormer, a transformer-based representation learned from object trajectories using contrastive learning. We compare these approaches against strong vision-based baselines and analyze their behavior across a diverse set of driving scenarios. Experimental results show that trajectory representations provide strong retrieval performance for motion-centric events such as cut-ins, turning maneuvers, and traffic queueing, while visual embeddings excel when appearance cues are informative. Most importantly, combining visual and trajectory information consistently improves retrieval quality, yielding the best overall performance. These findings demonstrate that appearance and motion capture are complementary notions of scenario similarity and motivate multimodal retrieval systems for autonomous-driving data mining, dataset curation, and scenario-based validation.
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Machine Learning · Cross-listed from cs.CL

A Sovereign, Open-Source Foundation Model for German and English

We present Soofi S 30B-A3B, a sovereign, open-source Mixture-of-Experts (MoE) hybrid Mamba Transformer foundation model for German and English. Its hybrid design activates only 3B of 30B parameters per token and keeps the inference cache near-constant as context grows, giving it a decisive throughput advantage over dense models for long-context, high-concurrency deployment. Pretrained on roughly 27 trillion tokens with deliberately up-weighted German, Soofi S matches dense 14 to 27B models on aggregate English and German benchmarks while achieving the best code aggregates in both languages among 17 open base models, and outperforms every European sovereign baseline in our comparison, including ones far larger in active parameters. Among fully open models, Soofi S obtains the highest English and German evaluation scores, ahead of Olmo 3 32B and Apertus 70B. Soofi S was built end-to-end on the German Industrial AI Cloud, a sovereign HPC scale AI infrastructure operated by Deutsche Telekom in Munich. Soofi S will be released under highly permissive, open-access terms: weights, selected intermediate checkpoints, full per-source data accounting, hyperparameters, and training and evaluation code. Where source licenses permit, data-construction artifacts are released under permissive licenses; commercially licensed sources are documented with aggregate statistics and exact mixture accounting.
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All authors Soofi-Team: Benedikt Droste, David Fitzek, Ruben Härle, Lukas Helff, Maximilian Idahl, Alex Jude, Abbas Goher Khan, Maurice Kraus, Timm Ruland, Richard Rutmann, Sebastian Sztwiertnia, Markus Frey, Daniil Gurgurov, Jan Pfister, Tom Röhr, Sebastian von Rohrscheidt, Jörg Bienert, Nicolas Flores-Herr, Simon Gottschalk, Andreas Hotho, Kristian Kersting, Joachim Köhler, Alexander Löser, Wolfgang Nejdl, Simon Ostermann, Jan Plogsties, Björn Plüster, Patrick Putzky, Mehdi Ali, Michael Fromm, Max Lübbering

Machine Learning

Action-Factored Multi-Agent Reinforcement Learning for Scalable Quantum Device Tuning

Cooperative multi-agent reinforcement learning is well suited to problems with large parameter spaces and exploitable local structure, such as the tuning of electrostatically-defined quantum-dot arrays. However, if parameter cross-talk is strong, a non-stationary environment from the perspective of any individual agent can destabilize learning - the same effect that plagues manual tuning of such systems. We propose using a factored representation of the action space, learned online, to decouple agents and minimize their interference. Our framework, QADAPT, uses this factorization to efficiently learn shared policies based on local measurements and rewards. With this modular strategy, we achieve zero-shot generalization to unseen quantum device sizes and maintain an approximately constant number of convergence steps to reach target regimes. This work provides a scalable route toward the rapid calibration of large-scale quantum processors.
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All authors Edwin De Nicolo, Rahul Marchand, Cornelius Carlsson, Pranav Vaidhyanathan, Natalia Ares

Machine Learning

Similarity search generalisation in contrastive learning with InfoNCE loss

Similarity search is a primary application of embedding models trained by contrastive learning. For one of the most popular contrastive learning loss functions, InfoNCE, we show that the population risk with $k$ negative samples is $O(1/k)$ close to an expected cross-entropy which quantifies deviation between i) a softmax similarity search over unseen data using the learned embedding function, and ii) an idealised softmax search over the same data but using similarity implicitly represented in the positive sample generator. This complements existing interpretations of InfoNCE in the $k\to\infty$ limit which are phrased in terms of mutual information, and alignment versus uniformity in embeddings. To quantify generalisation performance, we introduce a new continuity bound for the InfoNCE loss, obtained via Gâteaux differentiation. The bound preserves the structure of averaging over negative samples present in the loss function and features an “inverse temperature” parameter which can be tuned to account for the algorithmic temperature. For embedding functions which are Lipschitz in a parameter, this yields a simple demonstration that the averaging effect of $k$ negative samples in the InfoNCE loss carries over to stabilisation of the generalisation error as $k$ grows.
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Machine Learning

SYNRARE: Synthetic Rare Disease EHR Generation for ML Benchmarking

Motivation: Rare disease (RD) diagnosis is frequently delayed due to the similarities in symptoms to common disease variants. Machine Learning Algorithms applied to Electronic Health Records show promise for accelerating the diagnosis; however, legal and privacy concerns pose significant barriers. To address these issues, Synthetic Data Generation is an alternative method for obtaining Electronic Health Records and can be applied with any Machine Learning algorithm for benchmarking and development purposes. Despite the availability of Synthetic Data Generation algorithms, support for generating a subset of patients that differ in a definable degree from the majority to simulate patients with RD is often lacking. Results: We present SYNRARE, a graphical user interface based on the Synthea framework that enables easier modification and generation of synthetic Electronic Health Records of RD patients, which differ only to a definable degree from patients with common diseases, thereby enabling the benchmarking and testing of algorithms under controlled technical conditions. SYNRARE enables researchers to rapidly benchmark their Machine Learning algorithms across any scenario. Availability and implementation: SYNRARE, including detailed instructions for installing, is available at https://gitlab.sdu.dk/screen4care/synrare.
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Machine Learning

Data-Efficient Deep Learning: Empirical Guidelines for Training Set Size Estimation in Inertial Sensor Classification

Deep learning models dependency on large-scale inertial datasets presents a significant bottleneck in inertial sensor-based classification tasks, such as human activity recognition and smartphone location recognition. In these domains, data collection requires massive recording campaigns that are complex, time-consuming, and difficult to scale. Currently, data-driven guidelines for determining the minimum sample size required to reach a desired accuracy level do not exist. To address this gap, this study presents a systematic empirical evaluation of learning curve convergence rates in inertial classification. We introduce a unified framework that analyzes classification performance under both binary and multi-class scenarios, and derive an empirical formula to estimate performance relative to dataset size. Testing across six diverse, real-world datasets totaling 102.7 hours of inertial measurements demonstrates that accuracy follows a consistent logarithmic growth pattern, regardless of task complexity. Leveraging this finding, we propose a quantitative stability point metric, defined as the sample size required for the learning curve to stabilize within a predefined mean absolute percentage deviation of its asymptotic maximum. Our analysis reveals that models often reach practical stability with substantially fewer samples than traditional heuristics suggest. Ultimately, we offer a generalizable framework to extrapolate total data requirements from small-scale pilot studies, optimizing the tradeoff between recording effort and model reliability. These findings shift the prevailing paradigm from maximizing data volume toward optimizing data efficiency, offering concrete, data-backed guidelines for planning recording campaigns in inertial sensing applications.
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Machine Learning

On-Device Adaptive Battery Power Prediction for Electric Vehicles

Adaptive power management in Electric Vehicles (EVs) requires accurate power prediction. Although deep learning models have emerged as highly effective for time-series forecasting in this domain, their performance is prone to degradation when exposed to data with distributions different from the training data. We introduce a novel approach that enables on-device learning in resource-constrained EV systems to continuously adapt pretrained battery prediction models to new, unseen data. We leverage existing pretrained models by transforming them into adaptable versions that retain critical hyperparameter knowledge from their initial training. We comprehensively investigate both online and offline model adaptation strategies. Our results demonstrate significant improvements in forecasting performance across various models and time horizons, achieving mean absolute error reductions of up to 7.49% and 14.88% with online and offline adaptation techniques, respectively. This study highlights the substantial benefit of on-device adaptation, resulting in enhanced battery power predictions than unadapted model deployments in real-world EV scenarios.
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All authors Avik Bhatnagar, Anton Paule, Tobias Schuermann, Sebastian Reiter, Oliver Bringmann

Machine Learning

Fully Trainable Deep Differentiable Logic Gate Networks and Lookup Table Networks

We introduce a novel method for both partial and full optimization of the connections in deep differentiable logic gate networks (LGNs) and lookup table networks (LUTNs). Our training method utilizes a probability distribution over a set of connections per gate/lookup table (LUT) input pin, selecting the connection with highest merit, all whilst the optimal gate types or LUT-entries are learned in parallel. We show that the connection-optimized LGNs outperform standard fixed-connection LGNs on the Yin-Yang, MNIST Handwritten Digits and Fashion-MNIST benchmarks, while requiring only a fraction of the number of logic gates. We achieve 98.92% on the MNIST dataset with two layers of 8000 gates. With only one layer of 8000 gates, we obtain 98.45%, showing that our method requires almost 50 times fewer gates compared to fixed-connection LGNs. Training stability up to ten layers has been ensured by employing a high learning rate, straight-through estimators and trimming constant-output gate types. Additionally, we present a LUT neuron description that enables stable training with backpropagation, tested up to 6-layer deep networks. The model requires four times fewer trainable parameters and still achieves a higher accuracy compared to the fixed-connection LGN training algorithm. Our connection-training algorithm also works well for the LUTNs, achieving an accuracy of 98.88% for two layers of 2000 6-input LUTs.
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All authors Wout Mommen, Lars Keuninckx, Matthias Hartmann, Werner Van Leekwijck, Piet Wambacq

Machine Learning

Learning Physics-Informed Surrogate Model of Linear Elastic Displacement Fields from Geometry

This work aims to develop a fast and physically consistent surrogate model for real-time structural health monitoring of fractured elastic domains. We propose a physics-informed DeepONet framework that predicts displacement fields from both boundary conditions and fracture geometry, using a dedicated encoding strategy for the latter and without relying on finite-element-generated training data. The traction-free condition on the fracture boundary is imposed weakly through a localized penalty term. The presented numerical example focuses on one representative fracture geometry, demonstrating the feasibility of the formulation and laying the groundwork for extensions to surrogate modeling across diverse fracture geometries.
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All authors Rodolphe Barlogis, Ferhat Tamssaouet, Quentin Falcoz, Stéphane Grieu

Machine Learning

Mach-Mind-4-Flash Technical Report

We present Mach-Mind-4-Flash, a 35B-parameter Mixture-of-Experts (MoE) agentic model with 3B activated parameters. Through post-training optimization alone without scaling pre-training compute, the model achieves performance on par with or surpassing that of 100B-parameter-class models. By introducing scalable agentic interaction environments for large-scale reinforcement learning, the model attains significant performance gains on real-world application tasks. Our pipeline comprises three stages: (1) a unified RL/OPD training infrastructure with dynamic multi-teacher scheduling and operator-level acceleration, delivering 17% end-to-end training speedup; (2) multiple domain-specific RL experts trained in parallel across Reasoning, General, and Agent tracks, then fused into a single generalist via Multi-Teacher On-Policy Distillation (MOPD) – a routed reverse-KL objective that eliminates the see-saw degradation of mixed-reward RL; (3) Hybrid Median-length Policy Optimization (HMPO), a single-stage token-efficiency method that compresses reasoning chains by 19–46% with $\le$0.7 percentage-point accuracy loss. Mach-Mind-4-Flash scores 92.70 on AIME'26, 82.82 on IFBench, 80.74 on Behavioral-SafetyBench, 75.80 on BFCL-v4, 72.31 on BrowseComp-zh, and 84.20 on ClawBench – leading or matching models with 10–30$\times$ its activated size at a fraction of the inference cost.
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Machine Learning

Graph Neural Networks for Scalable and Transferable Node Centrality Approximation

Graph Neural Networks (GNNs) provide a learning-based framework for approximating graph quantities that are expensive to compute exactly. This paper investigates GNNs for scalable approximation of betweenness and closeness centrality, formulated as a node-ranking problem. Exact centrality values are used as supervision, and ranking quality is evaluated using Kendall's tau rank correlation. We study whether message-passing GNNs can learn transferable structural representations across different graph topologies rather than only fitting the distribution used during training. On unseen Erdos renyi graphs, the proposed models achieve tau = 0.851 for betweenness and tau = 0.894 for closeness. A large-scale betweenness model trained on graphs with N = 5,000 nodes achieves tau = 0.938, demonstrating scalability. Mixed-distribution training on Erdos renyi, Barabasi-Albert, and Gaussian Random Partition graphs improves betweenness transfer across graph families. In contrast, closeness centrality remains more sensitive to community-structured graphs and shows reduced transfer to real-world topologies. Finally, GNN inference achieves up to a 97.7x speedup over exact computation. These results show that mixed-distribution training can improve structural transfer in GNN-based centrality approximation, while identifying closeness centrality's sensitivity to topology as an open challenge.
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Machine Learning · Cross-listed from stat.ML

Spectrally Deconfounded Gradient Boosting

Flexible machine-learning methods can be sensitive to hidden confounding: they may learn associations induced by unobserved confounders rather than stable signals. Spectral deconfounding mitigates this problem by shrinking high-variance directions of the covariate matrix that, under dense confounding, carry latent confounder information. Existing work has largely focused on linear models. We develop a nonlinear spectral deconfounding framework for gradient boosting. Our approach replaces the ordinary squared-error loss by a spectral loss, which alters the boosting dynamics by slowing down learning in confounding-aligned directions. We show that deconfounding is not achieved by the spectral loss alone, but by the interaction between spectral shrinkage and regularization, especially in terms of early stopping. Moreover, we provide a mixed-model interpretation that connects LAVA-type shrinkage to random-effects adjustment and yields an empirical-Bayes procedure for tuning the spectral loss. We also extend the method to general likelihoods and nonlinear confounding using Laplace approximations and kernel random effects. Across synthetic and real-world experiments, spectrally deconfounded boosting improves estimation of the target function under hidden confounding and is substantially more scalable than existing nonlinear spectral deconfounding baselines.
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Machine Learning · Cross-listed from cs.CL

Deceptive Grounding: Entity Attribution Failure in Clinical Retrieval-Augmented Generation

Retrieval-augmented generation evaluation checks whether model claims are factually grounded in retrieved documents. It does not check whether retrieved evidence is attributed to the correct entity. A clinical RAG response can pass every automated check (zero hallucinations, near-perfect faithfulness, real citations) while presenting drug Y's clinical evidence as evidence about queried drug X. We term this deceptive grounding (DG): a failure invisible to faithfulness, hallucination, and citation checks because every claim is sourced from a real document, about the wrong entity. Using a controlled factorial benchmark across 13 models, we find DG rates spanning 8-87% at peak adversarial conditions. Medical and biomedical fine-tuned models reach up to 86.7%; domain specialization amplifies the failure rather than mitigating it. A controlled ablation identifies the mechanism: removing entity-specific clinical evidence from retrieved documents eliminates entity-attribution failure entirely, shifting all failures to confabulation. The two failure modes respond to the same trigger, taking different paths. Production measurement across 740 drug-disease pairs finds 7.8% overall DG in a deployed RAG system, rising to 13.6% for recently approved drugs. Entity-attribution verification (checking that cited evidence applies to the queried entity) detects DG at 97.0% precision and 98.7% DG recall (IPW-adjusted human gold standard); no existing framework implements it.
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Machine Learning

Shortcut Trajectory Planning for Efficient Offline Reinforcement Learning

Diffusion-based trajectory planners have shown strong performance in offline reinforcement learning, but their iterative denoising process often incurs high inference cost. Consistency-based planners reduce the number of sampling steps, yet they typically rely on a two-stage teacher–student distillation pipeline that increases training cost and may introduce instability. We propose Shortcut Trajectory Planning (STP), an offline model-based reinforcement learning framework that incorporates shortcut models as efficient trajectory generators. STP trains a conditional shortcut trajectory model in a single stage, supports adjustable one-step and few-step inference through step-size conditioning, and selects candidate plans using a critic augmented with feasibility-aware correction. Across standard D4RL benchmarks, including locomotion, navigation, manipulation, and dexterous control tasks, STP achieves strong performance while simplifying the training pipeline for fast generative planning.
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Machine Learning · Cross-listed from cs.CL

Letting the Data Speak: Extracting Keywords from Crowdsourced Collections with AI

Identifying and assigning keywords at scale is a technical, practical, and ethical challenge for crowdsourced collections. This article reports the findings of the "Extracting Keywords from Crowdsourced Collections" project, which used the Their Finest Hour Online Archive, a crowdsourced Second World War digital collection hosted by the University of Oxford, as a case study. The project evaluated three Natural Language Processing approaches to automate keyword extraction: Named Entity Recognition, Keyword Extraction, and Topic Modelling. It tested these approaches across a range of artificial intelligence techniques, from traditional statistical methods to modern GenAI neural networks. Our quantitative and qualitative findings indicate that Natural Language Processing approaches offer real potential for keyword extraction at scale in crowdsourced collections, but that no single method offers a complete solution and that model choice significantly shapes results. We argue that in crowdsourced collections, where metadata is the direct product of engagement with living contributors, automated keyword extraction raises distinct stewardship responsibilities that must be addressed alongside technical performance. Open-weight, extractive models emerge from our evaluation as best placed to support responsible deployment, while generative AI, despite its abstractive potential, introduces accountability risks that anyone managing crowdsourced collections should weigh carefully.
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Machine Learning · Cross-listed from cs.CL

Automatic Thematic Indexing of Large Literary Corpora: A Machine Learning Approach to Voltaire's Complete Works

Thematic indexing – the practice of assigning structured conceptual labels to sections of text – is essential to scholarly access in large-scale literary and historical editions, yet it remains a largely manual, labour-intensive process. This paper explores the application of machine learning to automatic thematic indexing, using two substantial sub-corpora of the Complete Works of Voltaire as a test case: the Essai sur les mœurs et l'esprit des nations and the Questions sur l'Encyclopédie. The task is framed as a multi-label classification problem, in which a model must assign the set of index entries that a professional indexer would apply to a given page of text. We compare a range of approaches – from encoder-based models with classification heads to generative large language models (LLMs) fine-tuned via Low-Rank Adaptation (LoRA) – spanning model sizes from approximately 3 to 120 billion parameters. Our best-performing model, from the Mistral family in a 4-bit quantised configuration, achieves F1 scores of up to 0.67; we argue that these figures represent lower bounds, given the inherent subjectivity of professional indexing and the frequency with which model predictions prove semantically valid despite diverging from the print index. We further evaluate cross-corpus generalisation and conduct a detailed qualitative analysis of model behaviour on literary and rhetorical features of the source texts that prove particularly resistant to automated treatment. Our findings have implications for the broader challenge of providing structured thematic access to large-scale literary and historical corpora.
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Machine Learning · Cross-listed from cs.CL

Exposure is not manifestation: measurement target and output resolution jointly determine which behavioural-faithfulness evaluator wins

Behavioural auditing asks whether a language model behaves as it claims, but detection scores are reported without separating two targets: whether a reply was produced under a behaviour-inducing condition (exposure) and whether the behaviour surfaced in it (manifestation). Scoring a compact 146-million-parameter auditor's frozen-representation read-out and a frontier judge against each label on the identical 720 replies, the gap between the instruments moves by roughly 0.2 AUROC when the target changes. Under the judge's deployed interface, a single verdict, the ranking reverses: the auditor leads on exposure, 0.804 against 0.718, and trails on manifestation, 0.690 against 0.811. Matching the output resolution from either direction, by asking the judge a target-specific question answered with a continuous confidence score or by thresholding the auditor's read-out, removes the reversal but not the interaction, which excludes zero at all three resolutions (0.207, 0.237 and 0.169). The target governs how far apart the instruments are; the interface governs whether that distance changes their order. The auditor's hyperbolic geometry confers no advantage here. A single behavioural-detection AUROC is under-specified: such claims are comparable only when they state the estimand, the evaluator, and its output interface.
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2607.09306 · 10 Jul · Substantially revised and narrowed version with a new title and estimand-centred analysis. Comparisons are now reported at three output resolutions, and the reproducibility package has been rebuilt. The author list was changed with the approval of all authors listed on v1-v2; previous versions remain publicly available. 17 pages, 3 figures, 3 tables

Machine Learning · Cross-listed from cs.CV

From Classification to Localization and Clinical Validation: Large-Scale Development of a Deep Learning System for Thoracic Disease Detection on Chest Radiographs in Thailand

Chest radiography (CXR) remains the most widely used thoracic imaging modality, yet expert interpretation is constrained by a severe shortage of radiologists in Thailand and across Southeast Asia. Local adaptation of deep learning models to Thai data has been shown to substantially improve accuracy on Thai populations. Here we present the development and comprehensive validation of the chest radiograph analysis model in Inspectra CXR version 5, a deep learning system that performs multi-label thoracic disease classification and weakly supervised lesion localization within a single model. The architecture couples a DenseNet-121 backbone with Attend-and-Compare Modules (ACM) and a Probabilistic Class Activation Map (PCAM) aggregation layer, producing a per-condition classification score and heatmap simultaneously. The model was developed on 874,858 frontal chest radiographs with paired radiologist reports from Siriraj Hospital, Bangkok. On a held-out, radiologist-verified in-domain test set of 19,871 cases, it achieved a mean AUROC of 0.994 (mean sensitivity 92.4%, specificity 98.6%) across nine clinically important conditions. On an independent generalization set of 5,992 cases from 13 hospitals across Thailand, the mean AUROC was 0.970, indicating robust transfer across sites. For localization, evaluated on 4,549 radiologist-annotated cases, the model attained a mean lesion-localization fraction (LLF) of 77.9% at 0.59 non-lesion localizations per image. In a usability evaluation with five thoracic radiologists, the system reached a classification concordance of 93.6%, a localization concordance of 94.7%, and a mean System Usability Scale (SUS) score of 89. These results indicate that a locally developed, localization-capable CXR system can deliver high accuracy, generalize across heterogeneous Thai hospitals, and earn the trust of practicing radiologists.
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All authors Isarun Chamveha, Tretap Promwiset, Napat Wanchaitanawong, Trongtum Tongdee, Pairash Saiviroonporn, Warasinee Chaisangmongkon

Machine Learning

Risk-Aware General-Utility Markov Decision Processes

We study general-utility Markov decision processes (GUMDPs) with risk-aware objectives. In this framework, an agent aims to optimize a risk measure of the distribution of objective values, where the objective function depends on the frequency of visitation of states induced by the agent's policy. First, we motivate, propose, and formalize risk-aware GUMDPs, which enable agents and decision makers to trade off expected performance by risk aversion while benefiting from the rich set of objectives that can be cast under the framework of GUMDPs. We focus our attention on the entropic risk measure (ERM). Second, we show how we can solve risk-aware GUMDPs with ERM objectives by resorting to online planning techniques. In particular, we propose an approach based on Monte Carlo Tree Search (MCTS) to provably solve risk-aware GUMDPs up to any desired accuracy. Third, we provide a set of experimental results showcasing that our approach is successful when optimizing for a spectrum of risk-aware behaviors in the context of GUMDPs under diverse tasks (standard MDPs, maximum state entropy exploration, imitation learning, and multi-objective MDPs).
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All authors Pedro P. Santos, Fábio Vital, Alberto Sardinha, Francisco S. Melo

Machine Learning · Cross-listed from cs.CR

Leveraging Interpretable Tsetlin Machine for PDF Malware Detection

In the digital era, Portable Document Format (PDF) is one of the most widely used file formats for storing and exchanging digital documents due to its platform independence and rich functionality. However, these same capabilities have also made PDF files an attractive attack vector for cyberattackers, who embed malicious code within seemingly legitimate documents to compromise target systems. This paper presents a novel interpretable Tsetlin Machine (TM)-based framework for PDF malware detection. The proposed framework extracts salient features from PDF documents through static analysis without executing the files and employs rule-based learning to accurately classify benign and malicious PDF documents. Numerical evaluation on the RIT-PDFMal-2026 dataset demonstrates that the proposed framework achieves an accuracy of 98.02%, outperforming several state-of-the-art machine learning classifiers. Moreover, the proposed framework provides intrinsic interpretability by transparently explaining its classification decisions. Edge deployment on a Raspberry Pi further supports real-time, on-device PDF malware detection. The combination of better accuracy, computational efficiency, and intrinsic interpretability makes the proposed framework a promising solution for practical PDF malware detection.
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Machine Learning

Super-Tuning: From Activation-Aware Pruning to Sparse Fine-Tuning

Large language models (LLMs) remain expensive to fine-tune because full-parameter updates require substantial memory, compute, and per-task storage. We study whether saliency signals originally developed for pruning can be reused to choose where a model should adapt. We propose Super, a sparse parameter-efficient fine-tuning (PEFT) method that fixes a small trainable support using a Wanda-style activation-weighted magnitude score [Sun et al., 2023] computed from a calibration pass. We then introduce Supra, a hybrid adapter that combines this sparse update with LoRA while preserving a matched trainable-parameter budget through a simple budget-splitting rule. In single-seed Math17K arithmetic experiments on Llama-3.2-1B and Meta-Llama-3-8B, the best Super/Supra variants achieve the highest average accuracy among the tested schedule-selected adapter configurations. We also include a PaFi-style magnitude-only support as a closest training-free sparse baseline and find that low-score supports under both magnitude and Wanda-style orderings can be effective. These results suggest that simple pruning-inspired orderings can provide useful fixed sparse supports for PEFT, especially when combined with low-rank adapters.
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Machine Learning

Autoregressive latent diffusion for 3D molecule generation

Three-dimensional (3D) molecule generation has been dominated by diffusion models, which achieve strong generation quality but typically require molecular size to be specified (or predicted) separately before generation. This can be limiting for fragment-based molecule generation, central to drug discovery, where the size of the generated structure is itself part of the design problem. Autoregressive models determine size during generation and naturally support partial-structure conditioning, but balancing unconditional and fragment-conditioned generation remains challenging. We introduce KRONOS, a latent autoregressive diffusion framework that generates molecules in the latent space of a Unified AutoEncoder (UAE), jointly modeling molecular graph topology and geometry, while retaining the flexibility of autoregressive generation. We further introduce a mixed training strategy inspired by the Fill-in-the-Middle (FIM) paradigm, enabling a single left-to-right autoregressive model to support both unconditional and fragment-conditioned generation. Experiments on QM9 and GEOM-Drugs demonstrate strong unconditional generation performance and competitive fragment-conditioned generation.
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All authors Federico Ottomano, Gaopeng Ren, Kim E. Jelfs, Yingzhen Li, Alex M. Ganose

Machine Learning

LionVote: Per-Layer Learning Rate Adaptation for Lion

Per-layer diagnostics reveal that, at the prescribed learning rate, Lion's effective scale is 2.6-2.8x too high for attention and MLP parameters and ~2x too high for normalization layers on ViT-Tiny/CIFAR-100; this 32% cross-layer-type disparity cannot be reproduced by a single global rate. The measurement comes from LionVote, a per-layer learning rate mechanism in which each parameter tensor maintains a compound level, a persistent integer updated every c epochs by two diagnostics (gradient direction stability and momentum health) resolved by a validation loss tiebreaker. Voting thresholds derive from geometric identities, the EMA time constant, and a noise-floor estimate; cadence is bounded structurally and selected by ablation. On ViT-Tiny/CIFAR-100, LionVote achieves 69.7% top-1 accuracy vs. Lion's 69.0% (p < 0.02, Welch's t-test) and AdamW's 68.8%. Per-layer adaptation value depends on both architectural heterogeneity and task; on uniform CNN architectures tuned SGD with cosine annealing remains dominant, and on ViT architectures gains are task-dependent.
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Machine Learning · Cross-listed from stat.ML

Influence Diagnostics in High-dimensional M-estimation: Precise Asymptotics

The impact of a given training point on a statistical model can be measured through its leave-one-out influence on the model parameters, which quantifies how its removal from the training set affects the learned weights. For convex M-estimation under Gaussian design, in the high-dimensional limit $n\asymp d$, we show that the empirical distribution of influences across training points concentrates around a deterministic measure which we sharply characterize. This characterization suggests that influential samples tend to lie on average close to the decision boundary, making contact with a standard data selection heuristic in active learning.
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Machine Learning

Forget Narrowly, Retain Broadly: Unlearning as an Asymmetric Generalization Problem

Machine unlearning in LLMs is the targeted removal of specific knowledge while preserving all other capabilities, critical for privacy and safety. Yet existing benchmarks measure it unreliably. They miss knowledge that resurfaces under paraphrased or indirect queries, a failure we call under-forgetting, and lack the semantic, syntactic, and lexical probes needed to verify that unrelated knowledge is preserved, a failure we call over-forgetting. Both failures reflect an asymmetric generalization problem. Forget evaluation must cover diverse query formulations of the same target facts, testing whether forgetting holds beyond exact training prompts. Retain evaluation must probe a far larger and implicitly defined set, namely every fact disjoint from the forget target. The retain set thus defines the effective forget set, yet current datasets provide no fine-grained annotation of this forget-retain boundary. We address this with SUITE, an evaluation protocol and training corpus that captures forget-retain structure for real-world factual domains. Methods trained on SUITE improve substantially, showing that training data is as important as algorithmic design. Building on the obtained insights, we introduce JensUn++, an unlearning algorithm that achieves the best forget-retain utility trade-off across three LLMs, in both sequential and joint unlearning settings. Code and datasets are available at https://amitpeleg.github.io/forget-narrowly-retain-broadly
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All authors Amit Peleg, Naman Deep Singh, Naama Pearl, Bibhabasu Mohapatra, Matthias Hein