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Thursday 1 October

Machine Learning · Cross-listed from stat.ML

Posterior sampling by source-space MCMC via prior-based few-step transport maps

Bayesian inference increasingly uses informative but implicit priors represented only by samples, such as historical ensembles, simulator outputs, and pretrained generative models. The same computational problem appears in the test-time guidance task (generalized Bayes), where an explicit positive weight, e.g., an exponentiated reward, tilts an implicit prior. We develop a framework for source-space generalized Bayesian inference that combines inexpensive few-step prior transports with posterior stability guarantees. Specifically, we represent the prior using a one- or few-step improved MeanFlow (iMF) map and perform posterior sampling in its Gaussian source space. We establish Wasserstein error bounds between the exact and learned posteriors in terms of the joint population iMF and auxiliary-velocity loss, decomposed into training suboptimality and model-class approximation error. In the iMF source space, we adopt parallel tempering with preconditioned Crank-Nicolson updates and introduce a hybrid variant that incorporates split Hamiltonian Monte Carlo to improve sampling efficiency. Synthetic experiments show that the proposed framework can approximate posterior distributions accurately and efficiently, while CLIP-guided ImageNet experiments demonstrate its ability to steer a pretrained iMF image prior toward text-specified preferences.
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Machine Learning

Optimal Transport Reweighting for Robust Learning under Spurious Correlations and Label Noise

Machine learning models often suffer performance degradation under subpopulation shift, particularly when spurious correlations cause models to rely on shortcut features that fail to generalize across subgroups. A recent line of work mitigates this issue by using loss-based signals to identify informative samples, but these signals can become severely distorted under label noise: mislabeled samples may also incur large losses and contaminate subsequent reweighting or retraining. Despite its practical importance, this intersection remains largely underexplored. We propose POTER, a reweighting framework based on optimal transport that derives sample importance from the transport geometry between the training distribution and a reference distribution constructed from limited validation group annotations. By measuring alignment at the individual-sample level rather than relying on loss, POTER downweights mislabeled or strongly bias-aligned samples while assigning higher importance to samples better aligned with the reference distribution. In addition, POTER requires only a single ERM training stage, moving beyond the retraining paradigm common in recent work. Across standard benchmarks and noisy-label settings, POTER achieves state-of-the-art worst-group accuracy, including cases where label corruption is concentrated within minority subgroups.
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All authors Sung Ho Jo, Seonghwi Kim, Wonsang Yun, Minwoo Chae

Machine Learning · Cross-listed from math.OC

Initial condition recovery in nonlinear damped viscous photoacoustic tomography using a convolutional neural network-guided gradient-free optimization framework

Photoacoustic tomography (PAT) is a hybrid imaging modality that combines high optical contrast with high ultrasonic resolution for biomedical imaging applications. In this work, we investigate the inverse problem of recovering the initial pressure distribution from boundary measurements in the presence of nonlinear acoustic propagation and viscous attenuation effects. To model these phenomena more accurately, we consider a nonlinear damped viscoelastic wave equation incorporating spatially varying sound speed, temporal attenuation, and nonlinear propagation mechanisms. We first establish the well-posedness of the corresponding forward problem using a Galerkin approximation combined with energy estimates and a fixed-point argument. For the inverse problem, we derive existence, uniqueness, and local uniqueness results under suitable assumptions through a harmonic extension reduction, spectral Laplace transform techniques, and observability estimates. To numerically reconstruct the initial pressure field, we develop a hybrid reconstruction framework that combines a convolutional neural network (CNN) with a gradient-free optimization strategy based on the sequential quadratic Hamiltonian (SQH) method derived from Pontryagin's maximum principle. The CNN is used to generate an informative initial guess, while the SQH framework enforces the governing PDE dynamics during the reconstruction process. Numerical experiments demonstrate that the proposed hybrid strategy significantly improves reconstruction quality, contrast, and robustness compared to standalone time-reversal and CNN-based approaches.
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All authors Madhu Gupta, Anwesa Dey, Prapti Tala, Souvik Roy

Machine Learning · Cross-listed from cs.AI

Beyond Answer Confidence: A Controlled Audit of Self-Knowledge in a Black-Box Decision Model

Decision models return probabilities intended for routing, abstention and automated action. Calibration makes those probabilities useful on average, but does not establish whether low confidence reflects chance or missing knowledge, nor whether confidence falls when a model moves beyond what it knows. We audit this distinction in Jev, a decision model, with over 15 public datasets and 6 generated task families, with paired interventions that vary the information supplied for a fixed item. Jev's confidence is calibrated on familiar closed-choice tasks but fails as an indicator of missing knowledge: with no answer-relevant information it assigns up to 0.80 to a salient option, and on news beyond an observed knowledge boundary it exceeds accuracy by 0.21–0.33, a gap that recalibration on earlier months does not close. Targeted yes/no questions give sharper readouts of the case: whether an outcome is settled (AUROC 1.00) and whether the evidence suffices (0.95, against 0.85 for confidence on the same items). Asking whether Jev knows the answer appears to flag fabricated entities and post-boundary news (0.91), but with realistic names or with dates removed it shows no advantage over answer uncertainty. Black-box knowledge audits therefore need explicit controls for surface cues. Code: https://github.com/Syntheme/beyond-answer-confidence.
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Machine Learning · Cross-listed from stat.ML

Tolerance-Based Fairness Auditing: Violation Certification and Sensitivity Screening

As artificial intelligence is increasingly deployed, algorithmic unfairness has raised growing concerns and intensified demands for transparent fairness auditing. In practice, the tolerable degree of algorithmic unfairness depends on the specific legal, ethical, or application context. Given a prespecified tolerance threshold, an important statistical question is how to determine whether a group disparity exceeds the allowable tolerance across different auditing objectives. To address this problem, we develop a unified tolerance-based fairness auditing framework for two complementary auditing objectives: violation certification, which prioritizes control of false violation declarations, and sensitivity screening, which prioritizes reducing missed violations. For the first objective, we develop a constrained empirical likelihood test for formal settings that uses least-favorable-point calibration and can be combined with false flagging rate control for simultaneous subgroup auditing. For the second objective, we develop split empirical likelihood and adjusted split empirical likelihood tests using an adaptive boundary-proxy principle for early-warning settings. Numerical experiments show the distinct error-control–sensitivity trade-offs of these procedures. A COMPAS analysis illustrates the framework in predictive fairness auditing.
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Machine Learning · Cross-listed from cs.CL

Distilling Directional Verification

Knowledge distillation aims to transfer the factual knowledge of large language models to smaller models for efficient deployment. Yet a teacher may recall a relation in one direction while failing to generate the answer in the reverse direction. Distillation from its generated answers can therefore propagate this directional limitation to the student. The same teacher can nevertheless recognize such an answer by scoring the relation in the direction it knows. We introduce directional label distillation, in which frozen teachers score candidate answers in that known direction and the best-scoring candidate becomes the student's training target. On facts about parents and their children, known-direction scoring yields more accurate labels than scoring the requested direction, even after tuned corrections for name priors. With prior-corrected scores, the better direction depends on the facts rather than the template, and reverses on mined facts whose notable entity is the parent rather than the child. With the evaluated children's forward facts withheld, students trained on known-direction labels improve open-ended accuracy on their trained queries by 13 to 15 points over students trained on prior-corrected reverse labels. After generated answers are matched to a fixed name list by lexical similarity, students reproduce nearly all selected labels. Their accuracy largely follows label quality. The label advantage holds on unscreened queries and when candidates are retrieved without inserting correct answers. Our findings show that directional verification mitigates the transfer of errors from teacher-generated answers to students by providing more accurate training targets. Code is available at https://github.com/js-lee-AI/directional-verification.
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All authors Jungseob Lee, Sugyeong Eo, Seongtae Hong, Seungyoon Lee, Chanjun Park, Jaehyung Seo, Heuiseok Lim

Machine Learning

Reliability-aware short-term roll prediction for unmanned surface vehicles via multi-task learning and adaptive centralization

Reliable roll prediction of unmanned surface vehicles (USVs) is essential for ensuring navi?gational safety and enhancing autonomous decision-making. While existing studies primarily focus on improving prediction accuracy, the quantification of prediction reliability remains insufficiently addressed. To bridge this gap, this paper proposes a reliability-aware prediction paradigm that integrates confidence assessment into the predictive pipeline. The architecture utilizes a multi-task learning structure where a shared feature extraction backbone feeds into dual heads: a regression head for precise roll prediction and a quantification head for confidence scoring. This configuration provides accurate prediction and corresponding confidence for risk?sensitive downstream tasks. In addition, an adaptive centralization strategy tailored for short?term real-time roll prediction is introduced to improve model generalization under varying operational conditions. Experiments conducted on a real-sea dataset demonstrate that the proposed method effectively quantifies the reliability of prediction results and maintains superior generalization under varying conditions, offering significant potential for practical engineering applications.
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All authors Kaizhen Li, Xi Zhou, Zihao Wang, Dan Zhang, Jianjian Liu, Xiaowei Li

Machine Learning · Cross-listed from stat.ML

The Price of Correlated Tests: How Strict Should a Model Release Gate Be?

Before a machine learning model ships, it often has to pass a suite of automated tests. Requiring every test to pass looks safe, yet it can reject many models that would have served users well, and it does not say how trustworthy a passing model actually is. We treat the release gate as a design problem: choose how many tests a model must pass so that cleared models meet a stated reliability target, while keeping as many good models as possible. A two-class latent-factor model makes both costs explicit and reduces each calculation to a one-dimensional integral. We prove that when both classes share the same latent correlation, a stricter gate always raises reliability, so the gate that keeps the most good models is the most lenient one that still meets the target. Under pass-all gating, any reliability target short of perfection is attainable within the model, but the share of good models kept tends to zero as the suite grows. Correlation between tests sets the price. In one configuration, a 99 percent target needs 8 independent tests, but 74 tests at a latent correlation of 0.3 and 5,182 at 0.5, where the gate keeps fewer than one good model in ten. We also give a validation procedure, built on exact binomial bounds, that certifies a gate from labelled data even when the gate is chosen from a fixed shortlist.
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Machine Learning

Adapter Thickets: Splitting an RLVR Budget Beats Concentrating It

Majority voting over sampled completions is the workhorse of test-time scaling, and reinforcement learning with verifiable rewards (RLVR) is the workhorse for making each completion better. The standard pipeline composes the two: train one policy with RLVR, then sample it many times and vote. We show that this composition is lossy. A vote can only overturn mistakes that its voters do not share, and RLVR sharpens a policy so that its samples increasingly make the same mistakes. With every method drawing exactly $160$ completions per problem, training a single LoRA adapter on the full RLVR budget raises single-sample accuracy on every model we test ($1.5$B-$8$B). Yet on three of four models it leaves the majority vote below that of the untrained base model, by up to $4.8$ points. The damage builds during training: voter errors grow steadily more correlated, and the majority vote accuracy peaks early before falling by up to $7.0$ points. The cause is concentration, not RLVR itself. We split the same data and training budget across $K$ LoRA adapters, each trained on its own random disjoint shard, and call the result an adapter thicket. Thickets out-vote the fully trained adapter in all $16$ (model, $K$) settings, and for $K{\geq}4$ they stay within $0.8$ points of the base model or above it. A single adapter stopped early, at a thicket member's step count, is a strong control that matches thickets for small $K$. For $K{\geq}8$, thickets keep more of RLVR's single-sample gain and out-vote this control in six of eight settings. The cost of concentration also grows with the number of votes: from $16$ to $160$ votes, the thicket's lead over the fully trained adapter widens from $1.3$ to $3.3$ points. When the plan is to sample and vote, an RLVR budget is better spent broad than deep.
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Machine Learning

Auditable Algebraic Counting Field for Cryptic-Pocket Detection from Apo Structures

Cryptic ligand-binding pockets are not apparent in experimentally determined apo structures, making them difficult to identify from unbound receptor geometry. A complementary challenge is to make the structural measurements and learned evidence behind each prediction directly inspectable. We introduce a supervised algebraic counting field (ACF) for predicting cryptic-pocket residues from apo structures. ACF compiles explicit geometric, physicochemical, and topological features into compact, integer-weighted lookup tables. Each prediction score can be reconstructed from feature values, training counts, table weights, and spatial aggregation, without sequence search, structural-template transfer, or a protein language model at inference. We evaluate ACF on CryptoBench and two locked external collections, separating ranking performance from the effects of residue-calling budgets. On an external set of 57 post-CryptoBench apo-holo units, ACF exceeded P2Rank by +0.044 in mean paired ROC-AUC (multiplicity-adjusted 95% CI [+0.010, +0.079]). The advantage was dataset-dependent: official-fold ROC-AUC and matched-budget F1 differences against P2Rank remained unresolved, and a second external evaluation did not confirm gains from added structural features. ACF thus provides a compact predictor with externally validated signal and an inspectable path from structural measurements and training counts to residue scores.
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Machine Learning

Neural scaling laws and evolution of learnable activation functions of Kolmogorov-Arnold networks

Kolmogorov-Arnold Networks (KANs) represent a compelling alternative to traditional Multi-Layer Perceptron (MLP)-based neural networks. By employing activation functions as learnable elements, KANs offer superior interpretability, making them suited for scientific domains. In this work, we investigate the neural scaling laws of KANs and the structural evolution of their learnable activation functions under dataset expansion. Specifically, we evaluate the scaling behavior of three KAN variants—BSRBF-KAN, Gottlieb-KAN, and Faster-KAN—across standard image classification benchmarks (MNIST and Fashion-MNIST) and a specialized scientific regression task (magnetic parameter estimation from domain images of moiré magnetic textures). Our results demonstrate that the test loss ${\cal L}$ exhibits a broken neural scaling law (BNSL) behavior as a function of the dataset size $N_D$. After passing through a random-guess regime, the loss follows architecture- and task-dependent scaling behavior. The loss crosses from a faster- to a slower-scaling branch, ${\cal L}\propto N_D^{-\alpha}$ and ${\cal L}\propto N_D^{-\beta}$ with $\alpha>\beta$ for image classification tasks. The exponents $\alpha$ and $\beta$ depend strongly on both the specific network architecture and the dataset-size regime, ranging from 0.4 to 1.5 and from 0.06 to 0.6, respectively. For the magnetic parameter-regression task, the loss follows a single scaling law with its exponent ranging from 1.28 to 2.59. Additionally, we provide a structural analysis of how activation functions refine their complexity as data volume increases, finding that dataset expansion drives a transition from simple linear-like approximations toward stable, interpretable symbolic forms. These findings provide a quantitative roadmap for the efficient application of KANs while managing the trade-off between model expressivity and computational overhead.
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Machine Learning

HADRec: A Hierarchy-Aware Drug Recommendation Framework by Fusing Molecular Knowledge and Electronic Health Record

Accurate medication recommendation is central to clinical decision-making, directly determining therapeutic efficacy and patient safety. However, existing methods suffer from two key limitations: drugs are often abstracted as discrete tokens, ignoring their molecular structures and pharmacological mechanisms, and the commonly used "flat" recommendation paradigm fails to leverage the hierarchical logic of the internationally standardized Anatomical Therapeutic Chemical (ATC) classification system. To address these issues, we propose HADRec, a Hierarchy-Aware Drug Recommendation framework that integrates molecular knowledge with electronic health records (EHRs). HADRec employs LLaMA-7B to encode clinical notes for rich patient representations and ChemBERTa to encode drug Simplified Molecular Input Line Entry System strings, building a global molecular knowledge base. A cross-attention mechanism then performs deep multimodal fusion between patient states and drug features. The framework further incorporates a hierarchical predictor and a novel consistency constraint loss to enforce strict adherence to ATC logical dependencies. Extensive experiments on MIMIC-III demonstrate that HADRec achieves state-of-the-art performance across Jaccard, F1, and PR-AUC. External validation on MIMIC-IV confirms strong generalization under distribution shifts, and calibration analysis shows well-calibrated predictive confidence on MIMIC-IV with ECE = 0.04, and Brier = 0.06. Counterfactual evaluation reveals clinically aligned reasoning, disentangling disease-specific treatments from general care. Together, these results establish HADRec as a high-performance, interpretable, and clinically grounded pathway toward safe and reliable AI-driven medication recommendation.
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All authors Junke Wang, Hongshun Ling, Li Zhang, Jinjing Wu, Tong Shao, Fang Wang, Yuan Gao

Machine Learning

Generalist Representation, Specialist Detection: TS-Router for Time-Series Anomaly Detection

Time-series anomaly detection (TSAD) is difficult to generalize across datasets because heterogeneous temporal dynamics imply different notions of normality and favor different detection criteria. While time-series foundation models provide transferable representations, coupling them with a fixed anomaly-scoring mechanism can overlook this variation. This motivates a different perspective on foundation-model-based TSAD: using foundation models to coordinate specialized anomaly criteria rather than directly imposing a universal one. Based on this view, we propose TS-Router, a generalist-representation, specialist-detection framework that estimates the relative competence of heterogeneous anomaly detectors from pretrained temporal representations and selects suitable specialists for each target series. To avoid relying on specialist-performance labels from real tasks, we derive soft competence supervision from specialists' relative performance on labeled simulated tasks. At deployment, routing requires no target anomaly labels, and only the selected specialists are fitted unsupervisedly on the target series. We bound Top-\(k\) set-competence regret under representation coverage and conditional competence stability. Across 16 real-world benchmarks and four complementary evaluation metrics, TS-Router achieves the best overall average rank. Controlled ablations with multiple frozen TSFM encoders further support the use of pretrained representations for competence estimation and adaptive specialist selection. The code is available at https://anonymous.4open.science/r/TS-Router-D8FF.
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All authors Tian Lan, Yifei Gao, Yimeng Lu, Xuming An, Meng Wang, Yue Pan, Wenjun He, Chenghao Liu, Chen Zhang

Machine Learning

Variational Streaming Flow: Probabilistic Forecasting in Physical Time

Probabilistic forecasting is important for predicting complex dynamical systems because intrinsic randomness and incomplete observations can cause the same observed state to evolve into multiple plausible futures. While flow matching is a flexible approach for probabilistic forecasting, it is computationally expensive. Streaming flow (SF) reformulates this approach to model temporal evolution efficiently by learning a continuous velocity field directly in physical time. However, SF learns a deterministic velocity field. Thus, it provides only a single future trajectory for a given fixed initial state and observation history. To overcome this limitation, we introduce Variational Streaming Flow (VSF). Our approach learns a latent distribution that is conditioned on the dynamics of interest. In turn, this enables probabilistic forecasting. Importantly, we retain the computational efficiency of SF by generating in physical time. Across deterministic and stochastic dynamical systems, VSF demonstrates superior predictive accuracy and distributional fidelity. We demonstrate the advantage for both long-horizon rollouts exceeding 1,000 steps, and settings with bifurcating dynamics. Moreover, VSF can be integrated into existing Joint-Embedding Predictive Architecture (JEPA)-based world models as a plug-and-play predictor to improve temporal dynamics and goal-directed success rate in navigation, motion planning, and manipulation.
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All authors Hans Hao-Hsun Hsu, Minseon Gwak, Soon Hoe Lim, Pan Li, N. Benjamin Erichson

Machine Learning

Structure-agnostic Causal Representation Learning

Causal representation learning aims to discover robust features by exploiting the causal structure underlying data generation. Existing methods require specifying the causal structure a priori, yet different structures demand fundamentally incompatible invariance constraints, and misspecification leads to representations that discard predictive information. We introduce SaCRL, a framework that jointly identifies the causal structure and learns the corresponding invariant representation without prior structural knowledge. Our approach formulates structure selection as a soft optimization over candidate invariances using HSIC-based violation metrics, with adaptive weights that automatically concentrate on the achievable structure. We provide theoretical guarantees for structure identification, including under random-feature approximation, invariance satisfaction, and out-of-distribution generalization. Empirically, SaCRL recovers the true structure on synthetic and semi-synthetic Bayesian-network benchmarks, outperforms fixed-invariance baselines on Colored MNIST, achieves state-of-the-art accuracy on three DomainBed benchmarks (PACS, VLCS, OfficeHome), and degrades gracefully under structural misspecification and limited environment diversity. Code is available at: https://github.com/ArmanBehnam/sacrl.
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Machine Learning · Cross-listed from cs.IR

RPTune: Learned Context Curation for LLM Catalog Search

For small merchant businesses (SMBs) whose catalogs fit within a long-context LLM, full-catalog prompting offers a compelling alternative to multi-stage retrieval designed primarily for large marketplaces with millions of items. However, fitting the full catalog into the context window does not ensure that the model can use it effectively, since LLMs do not exploit long contexts uniformly. We therefore study in-context catalog search through two complementary questions: (1) how to curate and present catalogs to the LLM, and (2) how to adapt the LLM for product selection on curated contexts. We propose RPTune, an end-to-end framework that couples learned catalog curation with LLM post-training using automatically generated, catalog-grounded supervision. An encoder-reorganizer curator orders and prunes products guided by downstream LLM feedback, while the resulting curated catalogs in turn improve the effectiveness of LLM post-training with a context-relative reward. We evaluate RPTune on 7 real merchants spanning distinct retail verticals, using 100 complex conversational queries per merchant. RPTune consistently improves search accuracy across both proprietary and open-weight LLMs, with context curation yielding gains of up to 31.4 percentage points and post-training adding a further 10.3 points on average.
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All authors Chuxuan Hu, Hejie Cui, Norman Huang, Shubham Kumar Bharti, Wang-Chiew Tan, Sercan Ö. Ar{\i}k

Machine Learning

GUI-HARVEST: Self-Improving GUI Agents through Evidence-Driven Harness Evolution

The executable harness surrounding a GUI model determines how observations are assembled, actions are executed, and verification, recovery, and termination are controlled. Compared with harness optimization for non-GUI agents, automatically optimizing this harness poses three coupled challenges: reconciling model intent with observed visual effects, diagnosing failures under variable execution outcomes, and identifying recurrent failure patterns across tasks and translating them into reusable runtime changes. We introduce GUI-HARVEST, an automatic harness optimizer that enables self-improving GUI agents with frozen backbone models. First, to ground diagnosis in observed action effects, it aligns model outputs and executed actions with before-and-after screenshots, tying findings to specific interface transitions. Second, to account for execution variability, it treats repeated runs of the same task as a joint evidence unit, using within-task comparisons to locate outcome-relevant behavioral differences. Third, it consolidates verified findings across tasks into recurring failure patterns, maps them to bounded source-code edits with predictions recorded before evaluation, and checks the predicted behavioral effects alongside task performance through repeated execution. Experiments on OSWorld-Verified show consistent held-out gains across six general-purpose open, GUI-specialized open, and proprietary backbone models; Qwen3-VL-32B-Instruct gains 12.33 points on the full suite. Frozen-harness transfer improves GPT-5 by 13.87 percentage points on WindowsAgentArena at 50 steps without further optimization. With the same backbone and initial harness, GUI-HARVEST outperforms Self-Harness and Meta-Harness, suggesting that GUI-specific diagnosis and validation help harness improvements generalize to unseen tasks. The code is available at https://github.com/GaryYang12345/GUI-HARVEST.
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All authors Geyi Yang, Zikun Qu, Xiang Li, Zhiyong Wang, Min Zhang, Shipei Zeng, Zhongxiang Dai

Machine Learning · Cross-listed from cs.CL

ReHoPER: Receding-Horizon Planning for Enhanced Reasoning

We propose ReHoPER, an inference-only, zero-shot method that improves large language models' reasoning by generating and answering intermediate questions along multiple paths before the final answer. It iteratively plans a horizon of candidate intermediate questions, selects one to answer, and replans from the updated history. ReHoPER is task-agnostic, using the same generic instructions across datasets and models without labeled data or task-specific prompt design. Across multiple datasets, including iLLC, a new controlled benchmark for compositional reasoning, ReHoPER outperforms strong baselines, with the largest gains in the most compositional settings. Our implementation and the iLLC generator are publicly available to support future work.
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Machine Learning

Platonic Task Arithmetic

Distinct pre-trained models specialized for the same task converge to closely similar behavior, yet the parameter updates that produce it share no common coordinate system. Weight-space task arithmetic is therefore confined to a single model, and transporting an update between models requires a structural correspondence. Drawing on Plato's allegory of the cave, we hypothesize that these model-specific updates are shadows cast by one shared, model-agnostic object, the platonic task vector. To make it operational across models of different architectures, we introduce Universal Task Descriptors, matrices whose shape is independent of architecture and embedding dimension, which record a task's functional effect and admit addition and negation as ordinary matrix operations, and we transfer a descriptor into a target in two ways. A single least-squares solve returns a linear operator folded into the target's last layer, and a bank of such operators, one per source and task, realizes any composition as a signed sum of its entries. Alternatively, a low-rank adapter of the target's encoder is trained on the same objective at the price of one optimization per edit. Despite a model-specific residual comparable in norm to the shared component, transfer from another model retains 74 to 80 percent of the gain the target's own descriptors attain. Experiments across six model families, eight tasks and audio-text models confirm both realizations.
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Machine Learning

Rate-Optimal Algorithm for Adversarial Linear CMDPs

We study episodic adversarial linear constrained Markov decision processes (CMDPs) with unknown transitions, where both the loss and constraint functions may vary adversarially across episodes. The best previous algorithm achieves $\widetilde{\mathcal{O}}(K^{3/4})$ regret and cumulative constraint violation, leaving a gap to the optimal $\widetilde{\mathcal{O}}(\sqrt{K})$ dependence on the number of episodes $K$. We close this gap by proposing a new primal dual algorithm that achieves $\widetilde{\mathcal{O}}(\sqrt{K})$ regret and cumulative constraint violation without assuming Slater's condition. We further extend the algorithm to achieve the same $\widetilde{\mathcal{O}}(\sqrt{K})$ guarantees for regret and hard constraint violation, which does not allow constraint violations to cancel across episodes. The main challenge is that learning linear CMDPs requires uniform concentration over a value function class with a controlled covering number, whereas standard techniques in constrained online learning, such as policy mixing, can make this class more complex. Our algorithm combines adaptive Follow the Regularized Leader (FTRL), contracted value estimation, and an exponential Lyapunov function. An adaptive dual regularizer offsets the dependence on the dual weights in the primal regret bound, removing the need for policy mixing. We further show that the normalization in the FTRL update bounds the policy parameters independently of the magnitudes of the dual weights, which explains why the resulting policy class remains compatible with uniform concentration. Under feature access, the computational complexity is independent of the size of the state space.
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Machine Learning · Cross-listed from cs.RO

A Survey on End-to-End Autonomous Driving Training from the Perspectives of Data, Strategy, and Platform

Autonomous driving is a cornerstone technology for the future of intelligent transportation, where end-to-end learning has emerged as a transformative paradigm that directly maps multimodal sensory inputs to driving actions through unified differentiable models. While offering advantages, the effectiveness of end-to-end autonomous driving (E2E-AD) is ultimately determined by the quality of its training ecosystem. This paper provides a comprehensive review of training methods and ecosystem for E2E-AD. We introduce a Data-Strategy-Platform taxonomy that conceptualizes training as an interdependent system. The data layer defines what can be learned, the strategy layer governs how learning aligns with driving objectives, and the platform layer supports scalability and continuous evolution. Within this framework, we survey recent advances across data-centric pipelines, learning paradigms, and training infrastructures, and analyze their interplay in shaping model performance, robustness, and deployability. Finally, we reflect on current limitations and articulate a forward-looking vision that emphasizes a shift from data quantity to data value, from isolated optimization to foundation-driven generalization, and from static training to integrated training-testing loops, aiming toward robust, scalable, and trustworthy autonomous driving systems. We maintain a continuously updated repository tracking cutting-edge literature and works at \href{https://github.com/Jiaaqiliu/Awesome-Training-Ecosystem-for-E2E-AD}{Our Project Page}.
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All authors Chengkai Xu, Yiming Cui, Jiaqi Liu, Yicheng Guo, Cheng Qin, Geyuan Zhang, Xinwei Dong, Shiyu Fang, Peng Hang, Jian Sun

Machine Learning · Cross-listed from cs.CV

EyeTAG: Eye Trajectory-Aware Gaze Estimation

Gaze estimation under natural head-eye motion underpins applications from driver monitoring to human-computer interaction. Single-frame methods predict each frame independently, so consecutive outputs fluctuate as jitter. Multi-frame methods reduce this, but they learn motion implicitly inside appearance features, so the gaze trajectory is never an explicit variable. We propose EyeTAG (Eye Trajectory-Aware Gaze Estimation), a causal multi-frame framework built around an explicit first-order gaze prior: at each step it differentiates its own recent predictions and feeds the resulting trajectory back as a compact kinematic token. Because differencing is translation-invariant in gaze space, this token carries subject-invariant motion rather than personal gaze offsets. Face and eye streams supply visual evidence, fused by cross-attention and a causal Transformer decoder. EyeTAG reduces the mean angular error by about 1.0$^\circ$ on Gaze360 and performs on par with the strongest baseline on EVE (2.56$^\circ$ vs. 2.58$^\circ$). Within-model ablations, which keep the encoder and the rest of the architecture fixed and vary only the gaze history, show that the differential formulation, rather than temporal context alone, removes the systematic saccade bias that persists even with an absolute gaze-history prior. Our code is available at https://github.com/peter8366/EyeTAG.
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Machine Learning

In CEM, a World Model Is Also a Proposal Mechanism

The cross-entropy method (CEM) uses world-model scores to select action sequences and fit the distribution sampled in its next iteration. A scoring error can therefore change both the present decision and the candidates considered later. We evaluate these two roles separately. Four types of predictive model generate CEM traces, and every model rescores every saved candidate pool. Executing the same candidates in the environment provides a reference elite set and proposal update. Across twelve independently trained task-seed units on Walker and Cheetah, the pre-specified proposal distance falls from the first to the final CEM iteration in every unit. Proposal widths contract and fitted means separate relative to the remaining search width. Pairwise ranking agreement stays near chance on Walker and declines on Cheetah; elite-set agreement does not improve. This comparison shows greater variation between scorers than between pool sources on Cheetah; Walker has variation in both and in their pairings. We use the original six units to select Random nonlinear for a one-update intervention, without inspecting intervention outcomes. Replacing its first model-ranked update with an environment-ranked update lowers final realised selected-sequence cost in those six units and in six further units held out from the selection.
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Machine Learning · Cross-listed from stat.ML

Block Optimism for Nonstationary Bandits with Latent Linear Dynamics

We study an endogenous nonstationary stochastic bandit problem with latent linear dynamics, where actions affect both immediate rewards and the future evolution of an unobserved latent state. Rewards are bilinear in the current action and latent state, inducing history-dependent rewards and a nontrivial long-horizon planning problem. The existing explore-then-commit approach achieves $\tilde{O}(T^{2/3})$ regret by uniformly exploring to estimate the latent dynamics and then committing to an optimized open-loop action sequence. We show that this rate can be improved via adaptive block-level optimism. Our key step is a cyclic approximation: under stable dynamics, the infinite-memory reward process can be truncated, and the open-loop benchmark can be approximated by optimizing a finite-memory block-level proxy. Building on this reduction, we propose a UCB-based block algorithm that maintains confidence sets for the truncated dynamics parameters and selects blocks optimistically. We prove a regret bound of order $\tilde{O}(\sqrt T)$, significantly improving over the previous $\tilde{O}(T^{2/3})$ guarantee for the same model. To the best of our knowledge, this is the first $\tilde{O}(\sqrt T)$ regret guarantee for latent linear-dynamics bandits with bilinear reward observations and an open-loop action-sequence benchmark.
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All authors Taehyun Hwang, Hyunjun Choi, Heesang Ann, Min-hwan Oh

Machine Learning · Cross-listed from cs.DB

STEER: Reducing Inference Cost in Relational Foundation Models through Semantically Informed Sampling

Relational foundation models (RFMs) are pretrained once on a collection of relational databases and prediction tasks, and then applied zero-shot to previously unseen databases and tasks. To make a prediction for a target row, an RFM samples a neighborhood of rows linked to that row through foreign keys and uses this neighborhood as its inference context. Lowering inference cost is an important goal for any foundation model, and for RFMs this cost grows with the size of the context. The simplest ways to shrink the context is to drop some of the sampled rows, but this ignores the semantics of the database schema, so it is as likely to discard informative rows as uninformative ones. We propose STEER, a sampling approach that shrinks the inference context by concentrating it on the tables most relevant to the prediction task at hand. STEER obtains relevance information by prompting a large language model to rank the foreign-key edges of the database schema into relevance tiers for the given task, and then maps each tier to a probability of following that edge during traversal. Because the ranking uses only the schema, it is computed once per task and reused across all subsequent predictions, amortizing its cost. We evaluate STEER on three state-of-the-art RFMs (RT, RT-J, and Griffin) and show that it reduces inference context size by about 40% on average while maintaining, and in some cases improving, prediction accuracy.
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Machine Learning · Cross-listed from cs.AI

ActiveSaddler: Automated Curriculum Learning for Agent Harness Optimization

Automated harness optimization can substantially improve LLM agents by iteratively updating their prompts, tool interfaces, and control logic from execution feedback. However, existing methods primarily optimize how the harness is updated while largely fixing which training scenarios generate the feedback that drives those updates. As the harness evolves, the scenarios most useful for further optimization can change, suggesting that the training curriculum itself should adapt alongside the harness. We formulate this missing dimension of harness optimization as an automated curriculum learning problem and introduce ActiveSaddler. ActiveSaddler models the evolving curriculum as a non-stationary bandit with dynamically instantiated optimization targets. It abstracts recurring failures into reusable failure-pattern arms, estimates the potential learning progress from further targeting each pattern, and adaptively balances revisiting known weaknesses with exploring unseen scenarios for new ones. Optimization outcomes continually update both the set of discovered failure patterns and their priorities, allowing the curriculum to co-evolve with the harness. Experiments on GAIA2 and Terminal-Bench 2.0 show that ActiveSaddler consistently discovers stronger harnesses, improving test Pass@1 by 4.4 and 7.5 percentage points over the same harness optimizer using a scenario order fixed before optimization, respectively. Ablations further show that these gains depend on dynamically constructing optimization targets, estimating their evolving utility, and balancing continued optimization with new failure discovery. Together, these results establish automated curriculum learning as a new crucial optimization dimension for harness optimization.
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All authors Sungho Park, Wonjoong Kim, Jue Zhang, Wook-Shin Han, Pengfei Gao, Chanyoung Park, Yongqiang Yao, Rao Fu, Elsie Nallipogu, Qingwei Lin, Victor Rühle

Machine Learning

Sharpen Before You Adapt: Data-Free Entry-State Sharpening for Test-Time Reinforcement Learning

Test-time reinforcement learning (TTRL) adapts language models on unlabeled test problems using supervision derived from their own samples. This makes the checkpoint's entry state consequential: a diffuse policy provides noisier self-supervision and may spend much of a limited adaptation budget merely concentrating probability mass before reliably expressing capability it already possesses. We propose entry-state sharpening: use data-free training before TTRL to prepare a general-purpose checkpoint in a state that subsequent label-free adaptation can exploit more efficiently. The idea is not tied to one training recipe; different data-free objectives can move the same base model to different entry states. Across five data-free checkpoints derived from Qwen3-4B and evaluated under an identical 15-step TTRL protocol, entry policy entropy strongly rank-orders endpoint conversion efficiency, a reliability-to-reachability measure (Spearman $\rho=-0.90$; $\rho=-0.99$ after controlling for entry reachability). The contrast across objectives is striking: R-Zero remains diffuse at $3.39$ nats and finishes below the untuned base in 6/6 matched comparisons across MATH, GPQA, and AMC, whereas SPIRAL reaches $0.07$ nats and achieves the highest post-TTRL accuracy on MATH and GPQA despite its self-play stage using no math training data. An in-domain label-free self-distillation intervention further shows that the entry state can be deliberately sharpened. These results motivate treating checkpoint preparation as a state-control problem: use data-free training to improve TTRL readiness, with entry entropy as a label-free control signal and reachable capability as the constraint.
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Machine Learning · Cross-listed from cs.RO

TOAST: Stochastic Robot Action Tokenization for Autoregressive Vision-Language-Action Models

Autoregressive Vision-Language-Action models often represent continuous robot actions as discrete token sequences, enabling action prediction with standard next-token objectives. FAST has substantially improved this representation by compactly encoding action containing diverse temporal frequencies into relatively few tokens. However, while such compression reduces the number of action tokens required for autoregressive prediction, it does not necessarily improve the efficiency of policy learning from limited demonstrations. In particular, FAST typically assigns a single deterministic tokenization to each quantized action sequence, although multiple token sequences can represent and decode to the same robot motion. We investigate whether exploiting this representational redundancy can improve policy learning. In this paper, we propose TOkenization of Action sequences with STochastic sampling (TOAST), a stochastic action tokenization method that samples alternative tokenizations of the same quantized action sequence during policy training. This diversifies the discrete supervision while preserving the underlying robot action and requires no additional demonstrations. Experiments on LIBERO show that TOAST consistently improves over its deterministic counterpart, with the improvement increasing as training data decreases, achieving a 6.8 point gain in success rate when only 1/16 of training data is available. Across four real-robot manipulation tasks, TOAST further improves mean success rate by 15.8 points over the deterministic counterpart. These results demonstrate the effectiveness of stochastic action tokenization for autoregressive robot policy learning, particularly when training data are limited.
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All authors Keisuke Shirai, Tomohiro Motoda, Hanbit Oh, Ryoichi Nakajo, Roman Mykhailyshyn, Ryo Hanai, Shotaro Miwa, Yukiyasu Domae

Machine Learning

When Do Biological Reasoning Models Use Their Biological Inputs?

Biological reasoning models use post-training to connect LLMs to biological foundation model representations and biological text. Their benchmark accuracy is taken as evidence that LLMs reason over these inputs. We test this assumption in six biological reasoning models across DNA, protein, and single-cell tasks. We perturb one biological input while holding the query and other inputs fixed, construct evidence conflicts that pair the foundation model representation of one genome, protein, or cell with the text of another, fit linear probes to the representations the language model receives, and analyze reasoning traces against the biological inputs. Evo2 and ESM3 contribute little to BioReason and BioReason-Pro performance on the evaluated tasks. Shuffling the DNA sequence barely changes BioReason disease prediction accuracy, and in evidence conflicts the two models follow the text in 97.9% and 99.7% of cases. Linear probes trained on the Evo2 and ESM3 representations predict the task targets, so these foundation models encode information relevant to the task, but provide limited overall performance improvement to BioReason and BioReason-Pro. In contrast, foundation model inputs contribute to ChatNT, Prot2Text-V2, and CellWhisperer performance, and differentially expressed genes in the gene sentence contribute to Cell2Sentence-Scale performance. Across SFT and RL checkpoints of BioReason-Pro and 42 BioReason checkpoints, increases in accuracy do not imply greater performance contributions from biological inputs. BioReason traces misstate nucleotide changes, while BioReason-Pro traces describe functions omitted from final predictions under evidence conflicts. We find that current post-training strategies do not ensure that foundation model representations contribute to task performance.
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All authors Ada Fang, Nikitha Thoduguli, Lukas Fesser, Hanlin Zhang, Sham M. Kakade, Marinka Zitnik

Machine Learning

Towards Fast and Disentangled Counterfactuals for Visual Foundation Models

Foundation models remain vulnerable to spurious correlations and “Clever Hans” strategies. Explainable machine learning can find and remove such strategies for classifiers without metadata. For foundation models, no such option exists yet. We propose Disentangled Diffusion Autoencoders (DiDAE). DiDAE wraps a frozen foundation model in a conditional diffusion decoder. A counterfactual is one closed-form edit along a direction of a disentangled dictionary, followed by decoding. The dictionary can be supervised (Procrustes) or unsupervised (Singular Value Decomposition, Sparse Autoencoders). No gradients are needed, so DiDAE is up to 2000 times faster than the state of the art. We evaluate on six datasets, two synthetic and four real-world. In a desiderata-driven benchmark on three of them, its counterfactuals are on par with or better than the state of the art, and they repair downstream classifiers through Counterfactual Knowledge Distillation (CFKD), where they beat metadata-based correction. The same machinery can rank a pretrained dictionary against a trained classifier. It returns the few directions the classifier actually reads, each causally verified by a counterfactual that flips the decision, and repairs the classifier along those a teacher marks spurious. The workflow is plug-and-play in our open-source Peal library we publish alongside the paper. With a public dictionary and a pretrained decoder, all that remains is a cheap linear distillation of the classifier and its own fine-tuning.
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All authors Sidney Bender, Benedikt Kunz, Ahmed Zeid, Shinichi Nakajima, Klaus-Robert Müller, Marco Morik