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Friday 24 July

Machine Learning · Cross-listed from eess.SY

Trajectory-Regularized Stochastic Optimal Control via KL Divergence

We introduce trajectory-regularized stochastic optimal control (TRSOC), which augments standard stochastic optimal control (SOC) with a Kullback–Leibler (KL) divergence between controlled and reference trajectory distributions. Using Girsanov's theorem, the trajectory KL reduces to a quadratic drift mismatch penalty, yielding a modified running cost that preserves the dynamic programming (DP) structure. We derive the corresponding Hamilton–Jacobi–Bellman (HJB) equation and characterize the optimal policy. In the linear-quadratic (LQ) setting, the formulation admits a closed-form solution with an augmented control cost. Experiments show that the regularization parameter induces a trade-off between performance-driven and reference-preserving behavior, including cases with reference dynamics learned from offline data.
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Machine Learning

From Score Approximation to Distribution Approximation in Score-Based Diffusion Models

Score-based diffusion models have achieved remarkable empirical success in generative modeling, yet their approximation-theoretic foundations remain incomplete. In particular, although classical universal approximation theorems guarantee that neural networks can approximate score functions, it remains unclear whether such approximation guarantees translate into approximation of the probability distributions generated by reverse diffusion processes. In this paper, we establish a rigorous quantitative connection between these two notions. Specifically, we prove that if a neural network approximates the true score function sufficiently accurately, then the probability distribution generated by the corresponding reverse diffusion model is close to the target data distribution in Kullback-Leibler (KL) divergence, up to an irreducible mismatch between the terminal distribution of the forward diffusion process and the prior used to initialize the reverse process. More precisely, we derive an explicit upper bound on the distribution approximation error in terms of the score approximation error, the diffusion noise schedule, and the terminal prior mismatch. Our analysis combines Hornik's universal approximation theorem, Girsanov's theorem on path space, and the data processing inequality for relative entropy. Complementary to recent work that studies score approximation under finite-sample statistical settings and structural assumptions on the data distribution, our work develops an approximation-theoretic analysis based on classical neural network approximation theory. The resulting theorem provides a simple and explicit guarantee linking neural network approximation of score functions to approximation of the probability distributions generated by reverse diffusion models.
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Machine Learning · Cross-listed from cs.CV

Bowel Obstruction Detection and Localization on Abdominal CT with Deep Learning

Bowel obstruction is a common and potentially life-threatening gastrointestinal condition. In the face of rising diagnostic workloads, the automated diagnosis of bowel obstruction on CT scans supports radiologists by accelerating detection and improving patient outcomes. In this work, we propose a deep learning framework with a multi-task objective that jointly detects bowel obstruction and localizes its transition zone. Additionally, we extend the method with an inherently interpretable classification method that locates the suspected transition point within a slice. It does so by learning a probabilistic selection mask that faithfully bases the classifier's prediction solely on a small image region. The proposed method is evaluated on an internal dataset comprising 1,427 abdominal CTs. Here, the model achieves an obstruction detection test accuracy of 93% and a Hit@10 transition zone localization of 95%. As the first method to reliably localize the transition zone, this marks a significant step towards the automated identification of this critical clinical landmark.
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All authors Moritz Vandenhirtz, Andrea Agostini, Dana Belde, Mélanie Roschewitz, Ismaiel Chikh Bakri, Tilo Niemann, André Euler, Julia E Vogt

Machine Learning · Cross-listed from cs.DB

DBA-Bench: A Production-Fidelity Benchmark for LLM-Based Database Operations Agents

LLM-based database agents show promise, but differences in task scope, testbeds, and success criteria hinder direct comparison. A shared benchmark must also preserve the operational conditions that determine whether diagnosis and remediation succeed in practice. We present DBA-Bench, guided by operational realism, outcome-first evaluation, and controlled scenario reproducibility. It evaluates agents in live PostgreSQL and distributed TiDB deployments with active workloads, stateful behavior, and multi-source observations. Success requires satisfying scenario-specific operational objectives without violating safety constraints. The primary evaluation covers 231 bounded scenarios across five operational domains, while 10 persistent scenarios extend evaluation to continued operation across interacting events. We evaluate eight automated baselines, including four frontier foundation models, two open-weight models, and two GPT-5.5-backed database agents. Our evaluation exposes gaps between diagnosis, effective remediation, and safe execution across both database systems. Agents can identify root causes yet fail to restore operational objectives. Even when objectives are restored, the executed actions can violate safety constraints. Persistent scenarios expose a gap between clearing individual blockers and sustaining business service: agents leave competing workloads uncoordinated and previously completed repairs unchecked after subsequent changes.
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All authors Junming Chen, Junyang Jiang, Xu Chen, Zibo Liang, Kai Zheng

Machine Learning · Cross-listed from cs.AI

Industrial Tokenization for LLM-Based Health Intelligence: A Federated Architecture for Industrial Evidence Integration

Industrial health management increasingly relies on heterogeneous information sources, including condition monitoring systems, supervisory control and data acquisition systems, maintenance records, inspection results, and prognostic models. Although large language models provide new opportunities for cross-source reasoning, industrial data and analytical outputs differ substantially in structure, temporal resolution, physical meaning, and reliability. Directly integrating such heterogeneous information into a monolithic model may reduce interpretability, traceability, and adaptability to equipment and data changes. This paper introduces Industrial Tokenization, a conceptual interface for transforming source-specific analytical outputs into structured and machine-interpretable units of industrial evidence, termed Industrial Tokens. Unlike numerical tokens used to encode raw time-series data, Industrial Tokens represent domain-grounded evidence together with source, temporal scope, operating context, analytical meaning, quality or confidence information, and provenance. Based on this concept, a federated industrial architecture is proposed, where heterogeneous analytical subsystems retain autonomy while exposing standardized Industrial Tokens to a central reasoning layer. As an initial implementation, this study presents an end-to-end DiagnosisToken pathway based on vibration-diagnostic outputs, rule-based event aggregation, structured textual token generation, and LLM-based interpretation. Other Industrial Tokens, including SCADA-based condition-monitoring tokens, maintenance tokens, and prognostic tokens, are reserved as future extensions. The proposed framework positions Industrial Tokenization as a semantic interface between domain-specific industrial intelligence and LLM- or agent-based reasoning, rather than another method for encoding raw industrial data.
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Machine Learning

Unbiased Open World Regularization for Fair Self-Supervised Learning

Despite recent advances, self-supervised learning (SSL) models and Joint-Embedding Predictive Architectures (JEPAs) remain susceptible to learning spurious biases in the dataset. These techniques rely on regularization, which prevents representation collapse by enforcing a global target distribution such as a multivariate Gaussian or a uniform distribution on the sphere. However, these global constraints are insufficient to prevent bias entanglement, as task-irrelevant features can still segregate the latent space into distinct sub-regions. While recent approaches like Entangling and Disentangling (EnD) and Fair Supervised Contrastive Learning (FSCL) empirically debias the latent space, we show that they act as partial approximations of conditional distribution matching. To enforce this matching explicitly, we propose Unbiased Open World Regularization (UOWReg), an encoder-only framework. We show that this shift from a global to a conditional objective guarantees statistical independence between the learned representations and the targeted attributes, regardless of the chosen target distribution. We empirically validate this framework across both Gaussian and spherical latent spaces, using statistical measures to enforce these target distributions. While conditional matching successfully mitigates bias with both distributions, we demonstrate that enforcing conditional uniformity on the sphere yields a lower linearprobing classification error. Empirically, UOWReg reduces Equalized Odds violations on the CelebA benchmark while maintaining competitive classification accuracy compared to existing encoder-only baselines. Furthermore, we introduce the Synthetic Engraving Task-a novel setting in which a dominant macro-structure masks a fine-grained micro-signature. We show that UOWReg effectively prevents the subpopulation collapse observed in standard SSL, successfully isolating micro-signatures even when heavily entangled with the global structure.
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All authors Léo Nicollier, Marc Pic, Pablo Musé, Enric Meinhardt-Llopis, Gabriele Facciolo

Machine Learning

TriGlue: a Biology-Inspired Generative Model for Generating Molecular Glue-Induced Ternary Complex

Molecular glue degraders have emerged as a promising strategy for targeted protein degradation by inducing ternary complex formation between an E3 ubiquitin ligase and a target protein. Despite their therapeutic potential, computational design of molecular glues remains largely unexplored. Unlike conventional structure-based drug design, molecular glue design is governed by the unknown protein-protein interface and requires the simultaneous modeling of ligand generation, protein-protein docking, and ternary complex assembly. In this work, we formulate molecular glue design as a ternary complex generation problem and propose a biology-inspired generative framework, TriGlue. Motivated by the mechanism of molecular glue action, we decompose ternary complex generation into two coupled stages: interface estimation and interface-conditioned complex generation. First, we develop an SE(3)-equivariant interface estimation module that predicts a geometrically constrained protein-protein interface from unbound monomer structures. Second, we introduce an interface-conditioned ternary flow matching network that jointly generates the molecular glue and predicts the rigid-body transformation required to assemble the ternary complex. Extensive experiments demonstrate that TriGlue generates chemically valid molecules and produces plausible ternary complexes, which highlight the potential of biology-inspired generative modeling for accelerating molecular glue discovery. Our code is available at https://github.com/yuliangyan0807/molecular-glue-design.
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All authors Yuliang Yan, Shuo Yan, Haochun Tang, Yiqin Sun, Enyan Dai

Machine Learning · Cross-listed from cs.CV

CARDIAG: A Dense Segment Classification Benchmark of Deep Learning Architectures for Coronary Angiography

Accurate pixel-level classification of coronary angiograms is critical for cardiovascular disease assessment, yet the field lacks standardized evaluation protocols. In this work we demonstrate a new benchmark for the assessment of deep learning models which densely classify pixels of coronary angiograms to one of SYNTAX classes (or background). The evaluation covers 24 distinct architectures starting with classic convnets to recent state-space-based vision algorithms. We release CARDIAG - a multi-center, multi-label dataset which we carefully split to reliably compute metrics, accounting for diameter error, overlap, centerline quality and calibration. The data contains SYNTAX labels, binary, uncertainty and segmentation masks as well as intermediate frames together with the selected non-sensitive DICOM metadata. From the multitude of algorithms, we nominate ConvNeXt V2 encoder with DeepLab V3 Plus decoder as the best performing, achieving macro $F_1=0.456$, which we then ensemble with Mamba U-Net and Feature Pyramid Network, for an increased $F_1=0.479$. We demonstrate all the architectures to be well calibrated and determine the generalization of the top 5 methods, together with the data efficiency of these architectures. We highlight the importance of both high-resolution and low-resolution features in encoding. We also demonstrate the model correctness in the context of patient demographic, vessel sides and projection angle configurations. Overall the released benchmark allows for future studies to robustly and rigorously assess the proposals, not only for SYNTAX segmentation, but lesion detection and many more.
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All authors Dominik Bernard Lau, Hubert Malinowski, Jerzy Szyjut, Adam Brzeski, Tomasz Dziubich, Radosław Targoński, Tomasz Figatowski, Natalia Zielińska

Machine Learning · Cross-listed from cs.RO

One Hand Watches The Other: Dynamic Multi-Agent Cooperation for Sample-Efficient Bimanual Manipulation in Dynamic Environments

Multi-stream robot manipulation policies achieve unparalleled sample efficiency and generalization by modeling actions relative to environmental reference frames. However, existing approaches typically assume these frames to be strictly exogenous. This causal assumption collapses in dynamic settings, such as when a single robot arm manipulates a moving object or when two arms coordinate, where each arm effectively becomes part of the dynamic environment of the other. We propose DynaMAC, a lightweight, policy-agnostic framework that resolves this causal limitation while preserving the sample efficiency, computational speed, and flexibility of multi-stream policies, DynaMAC treats the opposite arm as a dynamic task parameter, thereby providing a unified formulation for dynamic manipulation and bimanual coordination without requiring an explicit leader-follower relationship. To rigorously evaluate these capabilities, we introduce DynaBench, a novel benchmark for robot manipulation in dynamic environments. Across both dynamic environments and bimanual manipulation tasks, DynaMAC outperforms leading probabilistic and generative baselines by over 35 percentage points while requiring 20 times fewer samples. Crucially, DynaMAC generalizes zero-shot from static demonstrations to dynamic environments, substantially simplifying data collection and establishing an elegant bridge toward human-robot collaboration.
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Machine Learning

Pretraining EHR Foundation Models with Patient-Aware Sampling

Autoregressive foundation models for electronic health records (EHRs) typically inherit pretraining methods from language modeling, where patient trajectories are concatenated into a single token stream and windows are sampled from that stream. In EHR data, this choice is consequential: windows may mix multiple patients, and patients with longer records contribute more optimization updates, potentially introducing bias. We propose Patient Sampling, a pretraining sequence-construction method that allows us to control how training signal is distributed across patients. We compare this method to the standard approach, which we refer to as Global Stream. We show that stochastic Patient Sampling with controllable weighting improves performance on real-world EHR data. Across downstream clinical tasks on MIMIC-IV v2.2 and v3.1, Patient Sampling improves Macro AUROC and AUPRC over the Global Stream baseline. These results identify training and validation sequence construction as important and underexplored design choices for autoregressive EHR foundation models.
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All authors Joshua Placidi, Yuxuan Liu, Jinpei Han, Marek Rei, A. Aldo Faisal

Machine Learning · Cross-listed from cs.AI

Reasoning Denoiser: Denoising Reasoning Traces for Hallucination Detection in Large Reasoning Models

Large reasoning models (LRMs) generate long reasoning traces before producing final answers. While these traces may contain useful signals for hallucination detection, harnessing them is non-trivial because long trajectories often include noisy steps that obscure the cues relevant to truthfulness assessment. In this paper, we identify two prevalent forms of reasoning noises, i.e., irrelevant steps and repetitive steps, and show that both substantially degrade hallucination detection performance. Existing confidence-based scores and naive embedding-based filtering fail to reliably separate noisy from informative steps. To address this challenge, we propose REDE, a novel learning framework for denoising reasoning traces for hallucination detection. Specifically, REDE leverages final-answer attention as an automatic supervision signal to shape the step-level representation space, yielding refined embeddings in which noisy steps can be reliably identified and filtered. REDE can be readily plugged into diverse hallucination detectors by operating on the filtered reasoning trajectory after removing noisy steps. Extensive experiments on multiple reasoning benchmarks show that REDE consistently improves detection performance over competitive baselines.
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All authors Junlin Fang, Do Nguyen-Thanh, Xiaogang Xu, Zhen Fang, Sean Du

Machine Learning · Cross-listed from cs.SD

MemNMF: Memory-Augmented NMF on LPC Spectra for Anomalous Sound Detection

Autoencoder-based anomalous sound detection is attractive for machine condition monitoring because it can be trained using only normal recordings and yields an interpretable anomaly score from reconstruction error. Most prior work uses spectrogram autoencoders, but reconstructing detailed time–frequency patterns is sensitive to noise and transients, and models can reconstruct some anomalous inputs well, weakening normal–anomaly separation. We propose MemNMF, a constrained reconstruction method that operates on the Linear Predictive Coding spectrum, a compact estimate of the spectral envelope. MemNMF initializes a memory module from an NMF dictionary learned on normal LPC spectra and reconstructs each input as an attention-weighted combination of prototypical normal spectral patterns. Experiments on MIMII and DCASE 2020 Task 2 across multiple machine types and operating conditions show that LPC-spectrum inputs improve a standard autoencoder baseline and that MemNMF yields further gains, with especially strong robustness under noisy, non-stationary settings.
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Machine Learning

A Leakage-Free Stacked Ensemble Method for Multiclass Classification

Multiclass classification is a fundamental problem across a wide range of domains. It is still challenging due to possession of high inter-class similarity, class imbalance datasets, and variability in data distributions. Rule-based classifiers such as XGBoost often achieve stronger performance on structured features, but they are limited in capturing smooth functional relationships among variables. Similarly, neural network models can represent complex nonlinear interactions but frequently suffer from overfitting and generalization issues. To address these limitations, we propose LFS-FRAME, a Leakage-Free Stacked ensemble framework that integrates functional learning using Kolmogorov-Arnold Networks (KAN) and rule-based learning via XGBoost for robust multiclass classification. The proposed framework constructs unbiased meta-features by employing a strict out-of-fold stacking strategy to ensure complete isolation between training and validation data hence preventing performance leakage. By learning over probabilistic outputs from heterogeneous base learners, the meta-classifier effectively exploits both global functional patterns and sharp decision boundaries present in the complex data. Experimental evaluations on multi-class datasets demonstrate that LFS-FRAME improves performance metrics, and overall accuracy is 89.85% in identifying major families and 81.74% in identifying sub-families relative to strong single-model baselines. These results highlight the effectiveness of leakage-free functional and rule-based stacking for reliable and generalizable multiclass classification.
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Machine Learning · Cross-listed from cs.CV

Rethinking Multi-Branch and Cross-Backbone Fusion for Vehicle Re-Identification under Foundation-Model Pretraining

Multi-branch architectures and CNN-Transformer fusion are widely believed to improve vehicle re-identification (Re-ID) by combining complementary representations. We revisit this for a DINOv3-pretrained backbone. A single DINOv3-pretrained ConvNeXt with a tuned recipe reaches 88.19 mAP on VeRi-Wild Small and 77.47 on Large from visual cues alone, within the combined evaluation and optimization noise of the strongest protocol-verified metadata-dependent multi-branch baseline, and 92.38/83.68 with training-free re-ranking. Using this baseline and retrieval-level branch diagnostics, we ask whether representational diversity still pays at this scale. In our runs, it does not. Across both benchmarks and every converged configuration, concatenating multiple heads over a shared backbone moves the best single head by under one mAP point in either direction while costing four times the embedding dimension; 99.7% of the concatenation's variance lies in 512 principal components, so the heads not only duplicate one another but each occupies a quarter of its nominal 2048 dimensions. Pushing diversity to its architectural limit, CNN versus Transformer, we grant fusion every advantage through an asymmetric frozen-anchor scheme. Every Transformer configuration still lands at least 13 mAP below the ConvNeXt backbone (13-15 for the two strongest, up to 46 for the weakest), and a paired per-query bootstrap bounds the fusion gain at +0.11 mAP (95% CI) even for the most favourable snapshot we obtained. One strong backbone with the right recipe and re-ranking is the efficiency frontier. All results use single-seed training and one foundation-model family; differences of this size are therefore reported as bounds rather than orderings, and we list falsifiers.
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Machine Learning

CEL: Comprehensive Counterfactual Explanations Library and Benchmark

Counterfactual explanations are a prominent approach in explainable artificial intelligence (xAI), providing actionable guidance on what input changes would alter a model's prediction to a desired outcome. While early methods primarily focused on minimal feature changes, recent work incorporates additional properties such as sparsity, actionability and plausibility. Despite this progress, fair and systematic evaluation remains challenging. Existing studies often rely on different data splits, predictive models, and evaluation metrics, which limits objective comparison across methods. To fill this gap, we introduce CEL (Counterfactual Explanations Library), a unified library and benchmark for counterfactual explanations designed to support consistent implementation and evaluation. CEL includes 18 datasets of varying size and complexity and provides implementations or reimplementations of 14 widely used counterfactual methods. Using this standardized setup, we conduct a comprehensive quantitative comparison across a variety of methods on datasets that differ in size, number, and types of attributes. The evaluation protocol incorporates multiple complementary metrics capturing validity, coverage, sparsity, proximity, and distributional plausibility, including density- and outlier-based measures to assess the realism of generated counterfactuals. To the best of our knowledge, this is the first comprehensive benchmark that systematically evaluates recent counterfactual explanation methods within a unified and reproducible framework. While prior libraries and benchmarking efforts exist in the literature, many are outdated, limited in scope, or lack consistent evaluation protocols. The proposed benchmark aims to improve reproducibility, enable fair comparison, and establish a workbench for the development of future counterfactual explanation methods.
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All authors Oleksii Furman, Łukasz Lenkiewicz, Marcel Musiałek, Maciej Zięba

Machine Learning

DCS: A Unified Conditional Sensitivity Framework for Cross-Modal Copyright Infringement Detection

Currently, most foundation models can reproduce or strongly depend on copyrighted training content, but output similarity alone is insufficient for infringement detection, because similar outputs may also arise from public-domain concepts, common stylistic conventions, or ordinary statistical generalization. In this paper, we develops a unified post-hoc detection framework that treats copyright infringement evidence as a counterfactual conditional distribution shift: a protected target is suspicious when the model's behavior under aligned conditions would change measurably if that target were included in, or removed from, the training process. We formalize this view through conditional differential privacy and introduce Dual-Branch Conditional Sensitivity (DCS), an operational statistic that measures the observable gap between two locally perturbed model states. Specifically, the proposed DCS framework creates a learning branch and an unlearning branch around the deployed model, connects their displacement to the unavailable counterfactual retraining effect through influence-function analysis, and bounds the observable sensitivity by the counterfactual privacy-budget surrogate, local curvature, training-set scale, and perturbation step size. To distinguish target-specific memorization from generic fine-tuning instability, we further define a calibrated detection statistic that subtracts the sensitivity measured under orthogonal conditions. The DCS framework is instantiated for ridge-regularized linear regression, conditional diffusion models, autoregressive language models, and multimodal models. These instantiations show how the same principle can be evaluated through prediction gaps, image-embedding divergence, token-distribution or entropy shifts, and cross-modal representation changes.
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Machine Learning · Cross-listed from cs.CV

Small Vision-Language Models Know When They Are Wrong But Cannot Say So: A Two-Model Study of Stated versus Internal Confidence Under Realistic Image Degradation

Vision-language models (VLMs) are increasingly deployed on consumer hardware where input images are degraded by compression, camera shake, and poor lighting. In such settings, a reliable uncertainty signal matters more than raw accuracy, because it determines when a system should defer rather than answer. We evaluate two small open-weight VLMs – Qwen2-VL-2B-Instruct and SmolVLM-Instruct – across six realistic photographic degradations at three severity levels, comparing two confidence signals: the confidence the model states in natural language, and the model's own mean token probability over its generated answer. Across 3,800 predictions, we find a large and consistent gap. Verbalized confidence in Qwen2-VL is almost constant (mean 0.87-0.90 across all conditions) and detects its own errors at chance level (AUROC 0.39-0.75, typically ~0.50), while internal token probability from the same model separates correct from incorrect answers with AUROC 0.92-0.99. In SmolVLM, verbalized confidence proved largely unobtainable: across three prompt templates, only one of five pilot attempts produced a parseable confidence value, while internal probability again yielded above-chance error detection (AUROC 0.54-0.92). Both models fail in the same place: under severe underexposure, accuracy collapses (0.99->0.22 for Qwen2-VL, 0.97->0.42 for SmolVLM) while both confidence signals barely move, and internal error-detection falls to chance. We conclude that small VLMs encode usable self-knowledge that their verbalized output does not express, that internal probability is therefore the better deferral signal in constrained deployment, and that neither signal should be trusted under severe low-light conditions.
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Machine Learning

Cross-Domain Off-Policy Evaluation and Learning for Contextual Bandits

Off-Policy Evaluation and Learning (OPE/L) in contextual bandits is rapidly gaining popularity in real systems because new policies can be evaluated and learned securely using only historical logged data. However, existing methods in OPE/L cannot handle many challenging but prevalent scenarios such as few-shot data, deterministic logging policies, and new actions. In many applications, such as personalized medicine, content recommendations, education, and advertising, we need to evaluate and learn new policies in the presence of these challenges. Existing methods cannot evaluate and optimize effectively in these situations due to the notorious variance issue or limited exploration in the logged data. To enable OPE/L even under these unsolved challenges, we propose a new problem setup of Cross-Domain OPE/L, where we have access not only to the logged data from the target domain in which the new policy will be implemented but also to logged datasets collected from other domains. This novel formulation is widely applicable because we can often use historical data not only from the target hospital, country, device, or user segment but also from other hospitals, countries, devices, or segments. We develop a new estimator and policy gradient method to solve OPE/L by leveraging both target and source datasets, resulting in substantially enhanced OPE/L in the previously unsolved situations in our empirical evaluations.
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Machine Learning

Energy Manifold Natural Gradient Descent: Riemannian Optimization for Neural PDE Solvers

Energy natural gradient descent (ENGD) aligns parameter updates with the curvature of an underlying function-space energy, but existing formulations assume an unconstrained Euclidean parameter domain. We introduce \EMNGDfull{}, a manifold optimization framework for physics-informed and variational neural PDE solvers whose parameters lie on a Riemannian manifold. EMNGD restricts the energy-induced quadratic model to feasible tangent directions and uses retractions to preserve parameter constraints throughout optimization. Under coercivity, we prove that the push-forward of the undamped EMNGD direction is the best feasible approximation to the function-space Newton vector in the energy metric. We establish coordinate invariance, exact reduction to ENGD in Euclidean space, global first-order convergence with Armijo backtracking, and robustness to inexact tangent solves. For quadratic residual energies and generalized Gauss–Newton pullbacks, the Woodbury identity transfers the tangent system to sample space without changing the direction. Nyström approximation provides scalable sample-space solves with controlled direction error and recovers the exact direction after iterative convergence. On the evaluated neural PDE benchmarks, EMNGD achieves higher accuracy and faster convergence than the compared state-of-the-art baselines. Woodbury preserves the EMNGD direction, while scalable-solver diagnostics quantify the accuracy–cost trade-off of preconditioning and residual subsampling.
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Machine Learning

From Perturbation Correction to Geometry-Aware Sampling: Sharpness-Guided Equilibrium Sampling for Balanced Flat Minima in Long-Tailed Learning

Long-tailed learning couples two sources of poor generalization: head classes dominate training exposure, while under-represented classes often converge to sharper regions of the loss landscape. Conventional re-sampling addresses the former without considering geometry, whereas existing long-tailed sharpness-aware minimization (SAM) methods modify losses or perturbations only after biased mini-batches have been drawn. We introduce Sharpness-Guided Equilibrium Sampling (SGS), which treats the sampling distribution as an active control variable for optimization geometry. SGS dynamically adjusts subsequent mini-batches by increasing the sampling probability of less frequently sampled classes while suppressing classes with large SAM-induced loss changes, using only cumulative class counts and EMA sharpness estimates obtained from the standard SAM update, without class-wise perturbations or additional backward passes. We characterize this sampling process through a continuous-time stochastic differential equation and a sampling-dependent PAC-Bayes analysis, explaining how frequency-sharpness feedback can move training toward a more balanced flatness profile. On CIFAR-100 LT with an imbalance ratio of 100, SGS-SAM improves Focal-SAM by 10.85 points in tail accuracy and 3.56 points overall. On ImageNet-LT, it improves ImbSAM by 6.59 points on tail classes and 1.20 points overall. Its training time is only $1.02\times$ that of vanilla SAM. Beyond these gains, SGS establishes a sampling-side route to loss-landscape control, suggesting that future long-tailed methods can jointly regulate data exposure and optimization geometry rather than treating either as fixed.
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Machine Learning · Cross-listed from quant-ph

QC-PHAST Search: Classical–Quantum Query Benchmarks for Finite-Pool Rare-Regime Discovery

Rare-regime discovery in parameterized dynamical systems is an active-search problem: find one verified parameter at which a scientifically defined qualitative threshold is crossed, even when acceptable candidates are rare, nonconvex, or fragmented. We introduce Quantum-Classical Phase-space and Stability-Threshold Search (QC-PHAST), an evidence-gated decision protocol and query-accounting framework for finite candidate libraries. A candidate induces a dynamical object, simulator-derived criticality score, and verified first-hit predicate. Scientific metadata and charged pilot evidence are used to assess whether equation-aware search, scalar-score active search, predicate-only search, or only a query-model comparison is admissible. The quantum row is the inherited Grover/Boyer–Brassard–Hoyer–Tapp (BBHT) unknown-$M$ marked-set query reference; it is not a new quantum-search theorem, materialized circuit, or hardware-speedup claim. The result is a regime map. Direct boundary constructions, geometry controls, online simulator loops, and learned-label accounting further identify when classical structure, false positives, calibration cost, or state preparation erases the query-model margin. QC-PHAST is therefore an auditable protocol for deciding when a finite-pool marked-set reference is informative and when classical or resource-aware search should dominate.
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Machine Learning · Cross-listed from cs.DC

Unified Static-Dynamic Pruning for Efficient LLM Inference

The increasing deployment of large language models (LLMs) has magnified the computational and memory bottlenecks of autoregressive decoding, where low compute intensity and bandwidth-bound kernels dominate inference cost. Weight pruning offers a promising remedy, but existing methods remain confined to either static pruning (SP), which permanently removes redundant weights but lacks adaptivity, or dynamic pruning (DP), which adapts to input sparsity but introduces runtime irregularity. This paper presents SPDP, a unified sparse-inference framework that integrates unstructured SP with input-adaptive DP for efficient LLM inference on GPUs. SPDP co-designs a new Tiled-Column-wise Bitmap Compressed (Tiled-CBC) format and two complementary GPU kernels: (1) a CUDA-core spMspV kernel featuring Hybrid Activation-aware Dynamic Shared-Memory Bitmap Decoding (HAD-SMBD) for fine-grained, runtime activation skipping, and (2) a Tensor-Core SpMM kernel optimized for prefill computation. This joint format-kernel design harmonizes static and dynamic sparsity, maintaining bandwidth-efficient memory access and high compute intensity under both phases of LLM inference. Comprehensive evaluations on inference-optimized GPUs demonstrate that SPDP achieves 1.24x-1.37x average speedup (up to 2.51x) over state-of-the-art sparse frameworks such as SpInfer, while matching perplexity with up to 25% higher sparsity. SPDP advances the inference efficiency-quality Pareto frontier, showing that unified static-dynamic pruning can deliver substantial throughput and performance-per-watt improvements in large-scale LLM serving.
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Machine Learning

On the Convergence of Stochastic Low-Rank Adaptation

Low-rank adaptation (LoRA) optimizes $J(B,A)=\mathcal L(W_\mathrm{base}+sBA)$ over two adapters $B \in \mathbb{R}^{m \times r}$ and $A \in \mathbb{R}^{r \times n}$ that form a low-rank update to a frozen pretrained weight matrix $W_\mathrm{base} \in \mathbb{R}^{m \times n}$. The prior analysis shows LoRA-GD takes $\exp\{\mathcal{O}(\epsilon^{-2})\}$ oracle calls to find an $\epsilon$-stationary point such that $\|\nabla J(B,A)\|\leq \epsilon$ in the deterministic setting. We sharpen the analysis and show that $\mathcal{O}(\epsilon^{-4})$ full-gradient evaluations suffice for the same first-order criterion. We further study stochastic LoRA under unbiased gradient estimates and finite variance. We propose LoRA-NSGDM, which finds an $\epsilon$-stationary point with $\mathcal{O}(\epsilon^{-8})$ stochastic oracle complexity. Under the additional mean-square smoothness condition, we use variance reduction strategy and propose LoRA-STORM, which improves the stochastic oracle complexity to $\mathcal{O}(\epsilon^{-6})$.
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Machine Learning

Teaching LLMs to Self-Evolve: Cultivating Core Meta-Skills with Reinforcement Learning

Test-time scaling through iterative self-evolution with environment feedback, as demonstrated by AlphaEvolve, shows remarkable performance gains. We hypothesize that the success of such evolution frameworks hinges on meta-skills, such as self-reflection with environment feedback, that enable effective multi-round refinement, yet are largely neglected by traditional post-training. To bridge this gap, we present MetaEvolve, a framework designed to develop these meta-skills via a data synthesis pipeline, evolution-aware reinforcement learning (RL), and inference-time evolutionary search. Concretely, we ground MetaEvolve in coding, where program execution provides natural, continuous reward signals beyond binary correctness. Building on these signals, we synthesize evolution trajectories as training data, each containing a current program, its fitness score (combining correctness and efficiency), and a history of prior attempts, and train the model via RL with verifiable rewards derived from test case execution. By training on large-scale code data, we aim to inspire generalizable domain-agnostic meta-skills that can transfer broadly to open-ended problems where such rich training signals are scarce. Across seven coding benchmarks, MetaEvolve outperforms the strongest baseline by 10.01% absolute on in-distribution tasks and 24.12% on out-of-distribution tasks. On open-ended algorithm optimization problems entirely outside the training domain, it further achieves a 46.9% relative improvement. These results demonstrate that explicitly cultivating self-evolution meta-skills offers a principled path toward more capable and autonomously self-evolving AI.
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All authors Shujin Wu, Cheng Qian, Xiusi Chen, Heng Ji

Machine Learning · Cross-listed from stat.ML

Efficient Online LLM Watermark Detection via Rao-Blackwellized E-Processes

As large language models (LLMs) are increasingly deployed, reliable and efficient mechanisms for distinguishing AI-generated text from human-written content have become essential. Statistical watermarking has emerged as a promising solution, yet most existing methods are typically fixed-horizon procedures, precluding valid early stopping in streaming generation. In this paper, we develop an efficient online watermark detection framework with anytime-valid inference based on Rao-Blackwellized e-processes, enabling recursive token-level evidence updates without storing the full history. In particular, we instantiate the framework for the Gumbel-max watermark and reduce the original token-level dependence testing problem to a pivot-induced sequential testing problem with an explicit null distribution. Theoretically, we prove anytime-valid Type I error control under arbitrary optional stopping and establish positive asymptotic log-growth under watermarking, implying consistency of the proposed stopping rules. Simulations and experiments on real LLM-generated text demonstrate efficient online detection with rigorous anytime-valid guarantees.
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All authors Lu Luo, Dandan Mo, Chengdong Xu, Ting Li, Jinhan Xie, Huiqiong Li, Niansheng Tang

Machine Learning

MA-DAR: Manifold-Aligned Dynamic Adaptive Routing for Continual Temporal Knowledge Graph Reasoning

Continual temporal knowledge graph (TKG) reasoning aims to continuously incorporate newly emerging facts while preserving previously acquired knowledge. Replay-based continual learning has achieved promising performance by revisiting historical representations. However, existing methods primarily focus on what to replay, while largely overlooking how replayed representations should be integrated with current ones. Such direct integration often gives rise to two critical forms of representation conflict: norm domination and semantic blurring, ultimately degrading continual reasoning performance. To address these challenges, we propose MA-DAR (Manifold-Aligned Dynamic Adaptive Routing), a lightweight plug-and-play framework for replay representation fusion. MA-DAR first aligns replayed and current representations onto a shared manifold to alleviate distribution discrepancies. It then employs a dynamic gating mechanism to learn dimension-wise fusion weights, adaptively determining the contribution of replayed and current representations to the fused representation. Furthermore, a polarization regularizer encourages more decisive routing behaviors by discouraging ambiguous gating decisions, resulting in more stable and effective knowledge integration. Extensive experiments on four public continual TKG benchmarks demonstrate that MA-DAR consistently improves the performance of representative TKG encoders while remaining effective under different replay settings. Comprehensive ablation studies and visualization analyses further verify the effectiveness of manifold alignment and dynamic adaptive routing in mitigating representation conflicts and improving continual reasoning.
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All authors Xiangjun Shi, Chong Mu, Jinchuan Zhang, Lizong Zhang, Yuefeng He, Shang Liu

Machine Learning

Multi-Agent Debate and Visual Information Extraction for SeePhys Pro: A 1st-Place Technical Report from ICML 2026 AI4Math Track 3 Challenge

This technical report presents our approach to Challenge Track~3: SeePhys Pro at the 3rd AI for Math Workshop, where the task is to answer college-level physics questions whose statement and figure may be given partly or entirely as an image. Visual physics problems become substantially harder for large language models when the decisive information resides in a figure rather than in the text, and this modality gap widens as more of the problem migrates into the image. We address the task with a two-stage framework: a visual information extraction stage that re-expresses figure content as solver-readable text to close the modality gap, and a reasoning stage that orchestrates three heterogeneous solvers through multi-agent debate. Our analysis yields two findings: the gain from orchestration comes from reliable answer selection rather than from additional debate, and the value of a figure aid scales with how much of the problem is locked inside the image. The resulting pipeline improves overall accuracy over a single-agent baseline from 0.643 to 0.802 on the public split, and won 1st place on both the public and the private leaderboard (private overall 0.743).
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All authors Jiseok Kwak, Suhyeon Jo, Taewoo Kim, Yeongmin Kim, Byeonghu Na, Il-chul Moon

Machine Learning

LatentFlow: Visual Analytics for Latent Space Analysis in Molecular Graph Neural Networks

Chemists and materials scientists increasingly use machine learning models, such as graph neural networks (GNNs), to predict properties of molecules and the outcomes of their reactions. Beyond predictive performance, understanding how these models organize chemical information internally in their latent spaces, i.e., the embeddings of the molecules, is critical. Analyzing latent spaces helps diagnose model behavior and assess whether the learned embeddings are organized in ways that reflect meaningful chemical relationships. Unfortunately, existing methods provide limited support for analyzing latent spaces across layers and across different model states (e.g., training epochs, model configurations, and input data), making it difficult to understand how these latent spaces evolve throughout a model or relate to chemical concepts. We present LatentFlow, a visual analytics system developed in collaboration with a domain expert for analyzing latent spaces in molecular GNNs. LatentFlow groups embeddings into clusters and supports exploration of latent spaces by tracking how these clusters change across layers and model states using a modified Sankey diagram. To support interpretation, LatentFlow links these clusters to representative molecules and their shared substructures, and it allows scientists to introduce their own domain knowledge and compare it with the patterns found in the latent spaces. We evaluate LatentFlow through two case studies. The results show that LatentFlow helps scientists understand how latent spaces evolve, identify meaningful molecular patterns, and better interpret model behavior.
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All authors Shiyi Liu, Jiaqing Chen, Nicholas Hadler, Rostyslav Hnatyshyn, Michael W. Mahoney, Talita Perciano, John F. Hartwig, Gunther H. Weber, Ross Maciejewski

Machine Learning

RIS-Kernel: A Model-Agnostic Architecture for Long-Context LLM Inference via Sparse Attention

Full self-attention in large language models scales as O(N^2), limiting long-context analysis to 65k tokens and requiring costly GPU clusters. The Reduced Interaction Sampling (RIS) inference engine addresses this as a model-agnostic architecture. Without modifying weights, RIS introduces sparse stochastic attention geometries that operate under extreme pruning (up to 99% under 1% density) while preserving factual retrieval. While foundational graph-theoretic RIS formulations establish an asymptotic O(N log N) bound, this work evaluates a practical fixed-density regime on unaccelerated commodity CPU systems. We validate RIS on Qwen2-1.5B-Instruct across two regimes. At 32,768 tokens (where native dense attention serves as the upper bound), RIS-Stochastic at 1% density and 70 ensemble seeds achieves 75.00% accuracy, outperforming the native dense baseline (71.88%), while 5% density at 10 seeds matches it (71.88%), demonstrating that multi-seed sparsity filters sequence-level noise. Crucially, a controlled ablation evaluating a single static mask at matched budget (N=1, d=0.50) yields only 53.12% accuracy, proving that multi-seed topological diversity, rather than raw edge density, drives contextual recovery. Under tight budgets, RIS-Structural reaches 65.62% accuracy at 1% density with 10 seeds (recovering 50.0% of the gap over the 59.38% zero-context floor) and 68.75% (75.0% recovery) with 30 seeds. At 65,536 tokens, where dense attention triggers out-of-memory faults, RIS yields retrieval gains of up to 14.06 percentage points over the zero-context floor (51.56%), confirmed as marginally significant under McNemar's paired test (p = 0.078 < 0.10). All evaluations run on commodity CPU servers (16-128 GB RAM), demonstrating that long-context LLM inference is feasible on standard academic hardware without GPU acceleration.
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Machine Learning

MissHyper: Restoring Clinical Synchronicity in Missingness-Guided Hypergraph Forecasting

Clinical irregular multivariate time series are shaped not only by physiological dynamics but also by the measurement process that determines when and what to observe. In event-centric models, however, co-timestamp structure can be flattened too early: measurements acquired at the same timestamp are embedded as isolated nodes, leaving local patient-state context unavailable until later message-passing layers. We study this pre-propagation representation bottleneck and address it by restoring co-timestamp context before message passing begins. We propose MissHyper, a missingness-guided hypergraph forecasting model with pre-propagation synchronicity restoration. MissHyper augments each event with a local support-density cue, aggregates co-timestamp records to recover patient-state context, and uses a missingness-guided gate to adaptively fuse node-specific evidence with the recovered context. Across PhysioNet 2012, MIMIC-III, and MIMIC-IV, MissHyper achieves consistent gains in multi-step forecasting and outperforms a strong hypergraph baseline. These results suggest that improving event initialization can benefit sparse clinical forecasting without requiring a redesigned downstream propagation architecture. Ablations indicate that snapshot restoration, adaptive fusion, and support-density encoding all contribute, pointing to event initialization as a critical design axis for sparse clinical forecasting.
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