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Thursday 6 August

Machine Learning

Bootstrap-Conditioned Action Selection with Tabular Foundation Models

Contextual bandits offer a natural framework for sample-efficient personalization, but practical deployment remains difficult under sparse, biased interaction data, unreliable uncertainty estimates, and severe cold starts. We study whether pre-trained tabular foundation models with in-context learning can be turned into randomized policies for online decision making. We propose BC-ICL (Bootstrap-conditioned action selection using ICL), which at each round draws a bootstrap resample of the interaction history, conditions a frozen pre-trained ICL model on that resample, scores all actions, and selects the action with the highest sampled score. We further introduce an arm-context conditioning architecture that promotes shared statistical strength across actions and helps avoid common bootstrap failure modes of isolated-arm bandits. Empirically, this policy delivers strong early-round regret and regret performance on standard contextual bandit suites, outperforming established baselines under a strict online protocol.
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All authors Devansh Gupta, Shiv Tavker, Dmitry Efimov, Suchitra Sathyanarayana, Gitanjali Bhutani, Boris N. Oreshkin

Machine Learning · Cross-listed from cs.DC

Cascade: Exploiting SLO-Aware latency budget for fair and high goodput LLM inference serving

The reasoning and agentic capabilities of large language models have expanded the range of applications they support, from short interactive exchanges to long, compute-heavy requests. LLM serving platforms today define response-latency service-level objectives, even though requests within the same service can differ by orders of magnitude in input length, generation length, execution cost, and the availability of reusable KV-cache state. As a result, requests governed by the same service level objective have different urgency: after accounting for the time required to execute them, some have substantial latency headroom while others have almost none. We define this headroom—the difference between a request's service level objective and its predicted remaining service time—as its per-request latency budget. We present Cascade, an LLM serving system that estimates and continuously updates this budget from request characteristics, KV-cache state, and current system load. Unlike prior SLO-aware schedulers that use deadlines to govern request ordering alone, Cascade uses a single per-request budget to jointly coordinate request scheduling and KV-cache management across the memory hierarchy. Its scheduler prioritizes requests with little remaining budget, while its memory manager uses the same budget to decide whether non-resident KV state should be restored or prefetched from a deeper tier, retained in HBM, or recomputed. By directing queueing and data-movement overhead toward requests that can absorb it, Cascade improves SLO-satisfied goodput while preserving fairness across heterogeneous request classes. On production traces across three large language models, Cascade improves goodput by up to2.4x and reduces SLO violations by 40% relative to the default vLLM first-come, first-served scheduler.
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All authors Muhammad Adnan, Rohan Mahapatra, Prashant J. Nair, Daniel Berger, Pantea Zardoshti, Rodrigo Fonseca, Esha Choukse

Machine Learning

Newton-Schulz Retraction-Based Inference Enables Hidden Quantum Markov Models to Outperform Classical HMMs

Hidden Markov models (HMMs) are widely used probabilistic models for discrete sequential data but can be limited when hidden dynamics are complex. Hidden quantum Markov models (HQMMs) generalize HMMs by replacing probability vectors with density matrices and stochastic transitions with quantum operations, enabling richer latent representations. However, existing HQMM learning methods have not consistently outperformed Expectation–Maximization (EM)-trained HMMs on data not generated by quantum processes, limiting their practical applicability. We introduce NS-RIS, Newton–Schulz Retraction-based Inference on the Stiefel manifold, a scalable algorithm for learning trace-preserving HQMMs. NS-RIS uses Newton–Schulz orthogonalization to compute a polar-factor search direction while preserving Stiefel-manifold feasibility, avoiding costly matrix decompositions. We further establish a finite-time stationarity guarantee under standard assumptions on smoothness, stochastic gradients, and finite Newton–Schulz accuracy. Empirically, NS-RIS provides the first benchmark evidence that an HQMM can significantly outperform an EM-trained HMM on data not generated by a quantum model. On synthetic HMM-generated benchmarks, NS-RIS outperforms both EM and the state-of-the-art HQMM method COSM, improving the evaluation metric by an average of 38.5% and by up to 50.6%. On a synthetic HQMM benchmark, it improves the test metric over COSM by 18.9% while reducing runtime by 12.0%. On the real-world Splice classification benchmark, NS-RIS also surpasses both EM and COSM in higher-dimensional latent regimes, reducing mean classification error by 17.9% for latent dimension 6 and 14.9% for latent dimension 8 relative to COSM. These results move HQMMs beyond a theoretical generalization of HMMs and establish them as practical and expressive models for scientific sequence data.
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Machine Learning

Robust Average-Reward Markov Decision Processes: Minimax-Optimal Learning via Plug-in Reductions

Distributionally robust Markov decision processes provide a principled framework for sequential decision making under model uncertainty. We study how many samples are necessary and sufficient to learn an $\varepsilon$-optimal robust policy under the average-reward criterion. A generative model provides samples from the nominal transition kernel, whereas policy performance is evaluated over $(s,a)$-rectangular total-variation uncertainty sets of radius at most $\sigma$. Let $H_0$ and $H_\sigma$ denote the nominal and robust optimal bias spans, respectively. We identify $\sigma H_0$ as the perturbation scale separating high- and low-tolerance regimes. Our matching upper and lower bounds show that, up to logarithmic factors, the minimax total sample complexity is $$ NSA \asymp \frac{SA}{\varepsilon^2}\begin{cases} \min\{H_0,H_\sigma\}, & \varepsilon\gtrsim\sigma H_0,\\ \min\{H_0,H_\sigma\}+\sigma H_\sigma^2, & \varepsilon\lesssim\sigma H_0. \end{cases} $$ Here $S$ and $A$ are the numbers of states and actions, and $N$ is the number of samples per state-action pair. The sample complexity consists of a linear-span term that resembles the nominal AMDP results and a robustness-specific term that appears only in the low-tolerance regime. We attain these rates using reduction-based plug-in procedures that select the reduction—nominal or robust—and its discount factor: a span-informed procedure that makes these choices using known span parameters, and a span-agnostic procedure that calibrates both choices from data.
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Machine Learning · Cross-listed from cs.AI

TaskSense: Focusing on What Matters in World Models

World models for visual control typically learn compact latent states by reconstructing observations, implicitly encouraging representations to preserve information across the entire visual input. However, task-relevant content often occupies only a small fraction of the observation, while background clutter and distractors consume valuable representational capacity. This mismatch between visual reconstruction and control objectives biases latent representations to model task-irrelevant visual content, diluting learning signals for control-relevant features and severely degrading downstream performance under visual distractions. We introduce TaskSense, a task-centric world modeling framework that enforces task relevance before latent encoding through a differentiable stochastic spatial attention mechanism conditioned on the previous latent state. To steer attention toward control-relevant regions, we augment training with an auxiliary inverse-dynamics objective. Rather than reconstructing the full observation, the world model reconstructs only the attended regions, encouraging latent representations to preserve task-relevant information while discarding irrelevant visual content. The decoder is further conditioned on the sampled attention map, enabling consistent reconstruction despite stochastic attention. Compared with the DreamerV3 baseline, TaskSense maintains competitive performance on the DeepMind Control Suite while consistently outperforming DreamerV3 on the Distracting Control Suite, demonstrating substantially improved robustness to visual distractions. Qualitative analysis further confirms that the learned attention, guided by inverse-dynamics supervision, consistently localizes control-relevant regions while suppressing irrelevant visual content.
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Machine Learning · Cross-listed from physics.chem-ph

Density-Functional Excited-State Gradients and Nonadiabatic Couplings on a Consumer GPU from a Contraction-DAG

Nonadiabatic dynamics needs an excited-state gradient and an interstate nonadiabatic coupling matrix element (NACME) at every nuclear geometry, and a double-hybrid functional's accuracy has been unavailable for the coupling. We report the first analytic derivative NACME for a double-hybrid excited state—deferred in the original hh-TDA method and supplied for hybrids only by Yu et al.—derived, with the hole-hole and particle-particle Tamm–Dancoff (\hhTDA/\ppTDA) gradients and NACMEs, as a single reverse-mode transpose of one contraction graph closed under a non-symmetric atomic-orbital-direct $J/K$ kernel. Its double-hybrid excitation energy lowers the vertical-excitation mean absolute deviation from bare-\hhTDA\ $0.86$ to $0.47$~eV and removes the $+0.53\!\rightarrow\!+0.05$~eV over-excitation bias, improving seven of ten states while over-correcting the ionic $\pi\pi^*$ states—the expected perturbative-doubles failure, reported not trimmed. Every coupling is validated to $\sim\!10^{-4}$ against an independent literal many-electron wavefunction-overlap oracle that shares no code path with the method, and is physically meaningful at the ammonia $n\!\rightarrow\!\sigma^*$ covalent conical intersection, where the \hhTDA/\ppTDA manifolds recover the $F\!-\!2$ seam and adiabatic linear-response TDDFT gives $\tau\!\equiv\!0$ by construction. Gradients, NACMEs, and the double-hybrid coupling all run device-resident and AO-direct through one shared Cholesky-decomposed $J/K$ engine within the 8\,GB of a consumer RTX~4060 (a profile-guided $\sim\!10^2\times$ launch collapse preserving double-precision bit-identity)—placing on a commodity desktop card a correlated excited-state derivative capability that has until now required datacenter hardware.
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Machine Learning

Online Security Learning in Cooperative Multi-Agent Systems under Hidden Byzantine Attacks

We study online cooperative control of a multi-agent system under Byzantine attacks. Namely, an unknown, fixed subset of agents are Byzantine comprised and can stealthily overwrite its own coordinates of the team's planned joint action after observing that plan. The learner observes planned actions, public rewards, and public states, but neither the overwrite nor the executed joint action. Our objective is security: to optimize the team performance against the worst overwrites and achieve the optimal security value. We first show that the attacker's information determines the geometry. An attacker that observes the planned action induces an exact $(s,a)$-rectangular robust Markov decision process (MDP) whose rows are convex hulls of overwrite-induced public-outcome laws, whereas a blind attacker induces an $s$-rectangular model. We then identify the information-theoretic limit of security learning, showing that the security regret decomposes exactly into return regret against the response generating the data and a cumulative response gap $D_K$. Two indistinguishable horizon-one instances force $\Omega(K)$ expected security regret while return regret is zero, showing that dependence on $D_K$ is unavoidable. Finally, we develop a stage-tied robust estimation-to-decisions learner and prove a regret bound of $\widetilde{\mathcal O}\!\left(H^2S\sqrt{AK}\right)+\mathbb E[D_K]$. Our studies thus provide comprehensive theoretical and algorithmic foundations of reliable multi-agent systems under Byzantine attacks.
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Machine Learning

CertBind from Multimodal Connectivity to Certifiable Retrieval Decisions

Lightweight connectors make frozen multimodal encoders composable at the representation level. Deployment exposes a second problem at the level of task decisions. A connected route can expand cross-modal reach while changing an established native retrieval capability. We introduce CertBind, a multiscale theory of certifiable composition for frozen multimodal connector graphs. At the node scale, native anchors establish the exact task identification boundary under the stated chart model. At the edge scale, contract-aware conformal ranks provide graph-wide family-wise error control. At the path scale, an overlap-aware budget and clean calibration yield a finite-sample recovery radius under declared conditions. At the query scale, this radius yields a covered top-k candidate set that becomes a point certificate when its size equals k. CertBind therefore retains supported routes as Direct, sends only flagged routes to recovery, returns Certified for decisive recovery, and returns Abstain for unresolved queries. The evaluated C-MCR shared route reduced native CLIP R@1 from 0.524 to 0.290. The production fallback recovered 0.963 +- 0.002 of clean retrieval, while the passing branch recorded a no-harm value of 1.000. CertBind extends multimodal composability from connected representations to certifiable task decisions.
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All authors Shuheng Cao, Zhenhao Zhang, Ruiqi Chen, Renjie Cao, Weijia Zhang, Siyu Zhang, Jiaxin Liu, Xiangyu Zeng, Haotian Geng, Fan Gu

Machine Learning

Target-Weighted Neyman Allocation: Experimental Design for Heterogeneous Treatment Effects under Population Shift

Randomized experiments are often run in one population to guide decisions in another. Allocating by experimental proportions wastes budget on groups that rarely appear in deployment, whereas allocating by deployment proportions under-samples groups that are hard to measure precisely. We propose TWNA (Target-Weighted Neyman Allocation), a two-stage stratified design that uses pilot estimates of group–arm outcome variances to allocate final-stage sample sizes and treatment probabilities for target-weighted group average treatment effect (GATE) precision. The oracle rule has a closed form and balances deployment importance with statistical difficulty; the plug-in rule recovers it as pilot variance estimates stabilize. We also extend TWNA to handle uncertainty about deployment composition, remaining robust whether the target mix is roughly known or entirely unknown. Finally, we distinguish this weight robustness from a pilot-robust variant for skewed, rare-event, or contaminated outcomes. Simulations and real-covariate benchmarks show the largest gains when groups are both deployment-important and difficult to measure.
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Machine Learning

Unmasking Removal-Budget Confounding: A Matched Operating-Point Evaluation Framework for Adaptive Data Cleaning

Adaptive data-cleaning methods replace manual filtering thresholds with data-driven partitions. However, changing the partition granularity, the number of groups used to segment samples by estimated corruption risk, can implicitly shift the decision boundary and alter the overall number of removed samples. This creates a bias known as removal-budget confounding, where apparent gains in metrics like precision or false-positive rate reflect a smaller removal budget rather than superior corruption discrimination. To address this evaluation bias, we introduce an operating-point-aware evaluation framework that evaluates methods using matched-budget and matched-recall controls alongside threshold-independent metrics (AUROC and AUPRC). We test this framework on a multi-cue adaptive cleaner redesign featuring a reweighted learning-difficulty cue, an auxiliary Euclidean-distance cue, and increased partition granularity intended to isolate clean-but-difficult samples. While naive evaluations (assessing configurations at their own induced operating points) suggest substantial performance improvements for the redesign, these gains disappear once operating points are equalized. False-positive decomposition reveals that clean-but-difficult samples primarily drive error counts at low corruption rates, become threshold-dependent at moderate corruption, and contribute negligibly under severe corruption. Experiments on CIFAR-10 and ImageNet-100 demonstrate that most performance differences observed in naive evaluation shrink or vanish at low-to-moderate corruption when operating points are matched. True ranking advantages only remain in specific low-prevalence settings and in high-recall regions under severe corruption. These findings highlight that adaptive cleaning methods must be benchmarked at matched operating points to ensure performance gains reflect genuine corruption discrimination.
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All authors Wei-Hsiang Chen, Pin-Hsuan Yu, Chen-Hsuan Fang, Jung-Hua Wang

Machine Learning

Towards Reliable Context Compression for Long-Horizon Agents: An Empirical Study of Execution Instability

Recurrent context compression controls context growth in long-horizon agents, but its behavioral effects remain poorly understood. In this preliminary empirical study, we show that compression can weaken the influence of recent interactions, increasing blocked actions, repeated exploration, and instability across runs. Motivated by these observations, we introduce TRACE, a verifier-guided framework that evaluates individual compaction events through paired closed-loop continuations from the same environment state and uses summary preferences to optimize a natural-language compression prompt while keeping all models frozen. Initial results on AppWorld show improvements over existing compression baselines in task performance, multi-run reliability, and context–execution efficiency. These findings provide early evidence for boundary-local evaluation as a promising direction for reliable agent context compression.
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All authors Guanghui Min, Liang Wu, Mayank Darbari, Chen Chen, Liangjie Hong

Machine Learning

Beyond Attention: Signed Integrated Gradients Attribution in a BiomeGPT-Style Microbiome Transformer

In a feature-tokenized transformer (arXiv:2106.11959) such as BiomeGPT (doi:10.64898/2026.01.05.697599), each input token is built by fusing a fixed identity with a sample-specific measurement: a fixed species and a variable abundance, T = S + A. To interpret downstream classification in such models, prior work inspects the attention weights of the special [CLS] token (arXiv:2106.11959, arXiv:1810.04805, BiomeGPT) to rank sample tokens by importance. These weights have two critical limitations: they are nonnegative, so they cannot separate disease-supporting from health-supporting evidence (arXiv:2201.12114), and they act after token fusion, obscuring how the input sources S and A each affect the output. To address this we use Integrated Gradients (arXiv:1703.01365), a signed, fusion-aware attribution method, and propose a source-derived baseline T' = S + A_0 for feature-tokenized models such as BiomeGPT, which preserves species identity as a fixed biological coordinate while isolating the effect of abundance variation. Applied to a disease-versus-health decision margin, it yields polarity that explicitly separates pathogenic from protective microbial signals. We show that this gradient-based approach uncovers species-abundance directional relationships and sensitivity diagnostics entirely obscured by unsigned [CLS] attention weights. We further recommend second-order Integrated Hessians (arXiv:2002.04138) to expose microbiome community interaction rules: how a perturbation in one member alters the model's sensitivity to another, and which other species drive ambiguous cases toward disease or health at a given abundance level. This provides a principled approach to explainability in BiomeGPT that generalizes to other smooth and differentiable feature-tokenized transformers. Code is available at https://github.com/nohren/token-source-attribution
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Machine Learning · Cross-listed from cs.RO

Safe and Robust Neural Policy Learning with Statistical Verification for Sim-to-Real Deployment in Robotics

Synthesizing safe and robust neural controllers in simulation for reliable sim-to-real deployment remains a critical challenge in robotics. Existing learning-based methods typically lack safety and performance guarantees over an explicitly defined operating region, while post-training verification techniques provide no mechanism to refine controllers when safety violations are detected. To bridge this gap, we propose a curriculum-driven framework that tightly integrates scenario-based Evolution Strategy with Statistical Model Checking-based verification in a closed-loop procedure. Starting from a candidate region, our approach co-optimizes policy performance while progressively enlarging its safe operating boundaries. Upon termination, it yields a neural controller together with a region over which safety and performance are statistically verified. Extensive evaluations on Cartpole and 3D Quadrotor benchmarks, showing 6.14x and 224.04x expansions, respectively, of the safe operating region over mathematically certified ones, together with physical experiments under both nominal conditions and severe dynamic perturbations, demonstrate that our learned controllers consistently outperform established control-theoretic and learning-based baselines. Furthermore, we show that the size of the verified region serves as a quantitative indicator of policy quality before deployment. These results establish our framework as an automated pipeline for learning, assessing and deploying safe and robust neural controllers from simulation to reality.
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Machine Learning · Cross-listed from cs.CR

Fairis: Fairness-Aware Aggregation with Provable Influence Containment against Fairness Poisoning Attacks in Collaborative Machine Learning

Collaborative machine learning among financial institutions must be both group-fair and robust against deliberate adversarial manipulation. Existing fairness-aware aggregation methods remain formally vulnerable to fairness poisoning: a malicious client maximizing group disparity while preserving accuracy evades accuracy-based Byzantine defenses, and in our threat model FairFed's gap-based weighting can be gamed by an adversary who observes the global fairness score. We present Fairis, a server-side reweighting scheme in which each client's update receives the normalized weight $\omega_k = \bar{w}_k / \sum_j \bar{w}_j$ built from the unnormalized score $\bar{w}_k = \eta - \mathcal{F}_k$, with $\mathcal{F}_k \in [0,1]$ the local Equal Opportunity Difference and $\eta > 1$ a security parameter. We prove three properties, Monotone Weight Reduction (MWR), Demographic Participation, and Non-Gamesmanship, extend MWR to colluding minority coalitions, and show that combining MWR with server-side norm clipping bounds the adversary's displacement of the global model by $\omega_0 C$, strictly decreasing in its own reported disparity. Assuming honest score reporting, an assumption this paper does not discharge, Fairis is the only rule evaluated that guarantees every client strictly positive weight while provably reducing an adversary's weight monotonically in its bias; clipped FairFed can reach a lower weight but guarantees nothing and zeroes a client outright on Taiwan Credit. Against an adversary stealthy enough to evade accuracy-based defenses, within 0.04 accuracy of benign, Fairis cuts its weight by 41 to 54% below a size-blind control on Taiwan. On routine non-IID partitions no rule dominates, and a uniform-weighting ablation shows that containment tracks how far the adversary's score separates from the honest mean, providing none when the honest population is already unfair.
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All authors Devharsh Trivedi, Nesrine Kaaniche, Nikos Triandopoulos, Maryline Laurent, Jackson Walters

Machine Learning

ED-CSP: Crystal Structure Prediction from Electron Diffraction

Recovering a periodic 3D crystal structure from sparse, unindexed electron diffraction (ED) observations is a challenging generative inverse problem. Existing ED-based learning methods mainly predict crystallographic labels, reconstruct structures from indexed reflections, or retrieve candidates from finite structure libraries. Here, we introduce ED-CSP, a machine learning framework that predicts crystal structures from chemical composition, atom count, and multiple detector-plane ED spot sets. ED-CSP combines a relational set encoder, permutation-invariant multi-view aggregation, and a periodic flow generator to jointly predict lattice parameters and fractional atomic coordinates. To train the model, we construct ED-CS, a dataset of 4.85 million simulated multi-view ED crystal structures, deduplicated across seven materials repositories and filtered to exclude CHILI-100K overlaps. On 2,075 held-out CHILI-100K materials, ED-CSP trained only on CHILI achieves a structural match rate of 57.49% MR@5, outperforming PXRDGen (52.92%), a state-of-the-art crystal structure prediction model conditioned on powder X-ray diffraction. Scaling training data further improves performance: initializing from a one-million-structure precursor raises MR@5 to 66.27%. On 1,024 compositions absent from the training retrieval library, the model still achieves 53.52% MR@5, demonstrating true generative capability beyond exact-formula retrieval. Replacing target ED observations with diffraction from non-isomorphic structures of identical composition decreases MR@5 by 22.09 percentage points, confirming that predictions depend on the input diffraction patterns rather than composition alone. ED-CSP and ED-CS establish a benchmark for generative crystal structure prediction from sparse ED observations and provide a foundation for future transfer to experimental data.
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Machine Learning · Cross-listed from cs.NI

FedTransKD-IDS: Robust Federated Transfer Learning with Knowledge Distillation for Intrusion Detection in IoT

In modern distributed network environments, particularly in Internet of Things infrastructures and 5G networks, stringent privacy preservation and scalability requirements have created significant challenges for intrusion detection systems. Although federated learning preserves privacy by preventing data centralization, its efficiency and stability is considerably degraded under severe statistical heterogeneity and resource constraints of edge nodes. To address these limitations, this study introduces the FedTransKD-IDS framework, which enhances both system stability and efficiency by integrating robust aggregation based on the geometric mean, federated transfer learning, and knowledge distillation. Within this framework, the collaboratively trained global teacher model transfers its feature extraction component to lightweight student models. Experimental evaluation on heterogeneous datasets demonstrates a peak detection performance, achieving an accuracy of 99. 18% and a recall of 99. 99%, thereby indicating the effectiveness of structured knowledge transfer in federated environments.
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Machine Learning · Cross-listed from physics.soc-ph

Game-Theoretic Inverse Reinforcement Learning for Modeling Competitive Human Driving: A Cut-in Prediction Study

Capturing the strategic decision-making inherent in competitive human driving is critical for autonomous vehicle safety and traffic simulation. This study demonstrates that game-theoretic Inverse Reinforcement Learning (IRL) provides a robust framework for this challenge. We present a comprehensive analysis comparing data-driven IRL models against an established physics-based game-theoretic approach for predicting aggressive, safety-critical cut-in lane changes. Using the high-fidelity highD dataset, we systematically develop and evaluate a series of IRL models with increasing feature complexity. Our results reveal significant advantages: the best-performing IRL models achieve an overall prediction accuracy exceeding 75 percent while maintaining a Cut-In precision up to 51 percent and recall up to 49 percent. This represents a significant improvement over the established physics-based benchmark, which achieved only 4.4 percent precision in these high-stakes scenarios. The analysis reveals a clear trade-off: incorporating granular, instantaneous features yields higher precision, while adding temporal consistency features maximizes recall. These findings suggest that IRL-based models can effectively bridge the gap between microscopic driver intent and macroscopic safety outcomes, providing a more reliable foundation for modeling interactions in mixed-autonomy environments.
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Machine Learning

SNI-GNN: SmartNIC-Assisted Full-Graph GNN Training with In-Network Embedding Prediction

Full-graph GNN training delivers high accuracy but scales poorly on multi-server clusters due to heavy, irregular inter-node embedding exchanges. We present SNI-GNN, a SmartNIC-assisted full-graph training system that reduces communication while preserving accuracy by predicting remote embeddings in-network. SNI-GNN deploys a lightweight linear-trend predictor on SmartNICs to refine cached historical embeddings, coupled with an importance-based boundary-node sampling policy and an asynchronous DPU–GPU data pipeline with intermediate-result reuse. We provide error and convergence bounds showing that predictor bias remains controlled under bounded second-order dynamics and yields standard non-convex convergence with inexact gradients. Implemented on NVIDIA BlueField-3, SNI-GNN integrates with state-of-the-art full-graph systems, cuts communication by 21–45%, achieves 1.3–3.6$\times$ end-to-end speedups over BNS-GCN and up to 1.29$\times$ over baseline SANCUS, with accuracy loss $\leq 0.01$, and scales efficiently to 16 GPUs on graphs with up to tens of millions of edges. These results indicate SmartNIC-based in-network prediction is a practical complement to partitioning and compression techniques for communication-efficient full-graph GNN training at scale.
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All authors Guofan Yu, Sitian Chen, Zhenheng Tang, Xiaowen Chu, Amelie Chi Zhou

Machine Learning · Cross-listed from cs.RO

Fast and Accurate: An Adaptive VLA Inference Framework through Environment-aware Model Selection

Embodied intelligence demands both long-horizon reasoning and real-time closed-loop responsiveness. Recent dual-system Vision-Language-Action (VLA) architectures combine fast reactive control with slow deliberative reasoning to balance inference speed and task success rate. However, existing dual-process VLAs tightly couple the fast module to intermediate representations of the slow module, necessitating end-to-end joint training and limiting modularity, extensibility and flexible system switching. In this paper, we propose Environment-aware Model Selection (EMS), an adaptive VLA inference framework that switches between two fully decoupled systems of different scales through environment-aware model selection. The large-scale deliberative system provides globally consistent trajectory planning to ensure task success, while a lightweight reactive system enables high-frequency closed-loop control. A reinforcement-learning-based switching policy dynamically selects which system to invoke based on real-time feedback, enabling sparse use of the slow system and thereby balancing pretrained knowledge utilisation with runtime efficiency. Our design offers three key advantages over prior hierarchical VLA frameworks: (1) a fully decoupled and modular dual-system architecture that supports plug-and-play model replacement; (2) an adaptive, environment-aware switching strategy; (3) high-frequency inference for responsive closed-loop control. We extensively evaluate EMS in both simulation and real-world environments. On the LIBERO benchmark, EMS achieves success rates comparable to the large-scale baseline while increasing the effective action frequency to 93.4 Hz. The framework further demonstrates strong extensibility in real-world dual-arm manipulation tasks, where it accelerates task completion while maintaining robust performance.
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All authors Yuewei Sun, Lang Qin, Zechuan Tian, Jingwen Li, Guiqin Wang, Shengzeng Huo, Wenxin Ren, Tao Fang, Xiaochen Zhang, Guanqing Deng, Xiang Wang, Xiaowen Dong, Qinghai Guo, Yuxin Ma

Machine Learning · Cross-listed from cs.CL

Learning When to Trust via Selective Context Preference Optimization

Language models increasingly condition their answers on external signals, and a single misleading one can turn a correct answer wrong. The obvious remedy, training models to resist such signals, hides a failure mode: a model that ignores all context looks robust yet is useless when the context is worth trusting. We recast the problem as selective trust and introduce MIST, a human-annotated benchmark that renders each reasoning item under four matched conditions (clean, misleading, correct-context, and irrelevant-context), together with SC2W, a paired metric counting how often a misleading signal flips a clean-correct answer to wrong. Across a comprehensive benchmark study, we observe that such a susceptibility is universal. We then propose SCOPE, which mines clean-correct/misleading-wrong failures and optimizes a standard Direct Preference Optimization (DPO) objective over matched preference pairs balanced equally across all four conditions, rather than over misleading items alone. Our approach substantially reduces SC2W on popular open-sourced models while preserving accuracy when the added context is clean, correct, or irrelevant. With this work, we argue that models should be judged on selective trust, not on resistance alone.
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All authors Xian Sun, Wei Chow, Yingshuo Wang, Junhao Liu, Wei Gao, Qing Wu, Lingdong Kong

Machine Learning · Cross-listed from cs.AI

Tracing the Heart: An Evidence-Linked Pipeline for Heart-Failure Feature Engineering

Electronic health record (EHR) feature engineering is a major bottleneck in clinical research and AI, accounting for 39-45% of data scientists' workload. This is especially pronounced in heart failure, which affects an estimated 6.7 million U.S. adults and requires integrating fragmented EHR data with disease-specific, guideline-based clinical reasoning. Existing rule-based and large language model (LLM)-based approaches offer only partial automation with limited maintainability and evidence traceability. We developed the Nimblemind Multi-Agent System (nMAS), an evidence-linked, rubric-grounded pipeline for automated heart-failure feature engineering, and evaluated it on 500 dummy patient records from nine EHR source tables. nMAS generated 132 structured and 70 rubric-scored aggregated features, verified for structural integrity, rubric compliance, and provenance, and audited by a restricted LLM. Adding the aggregated features improved held-out AUROC from 0.895 to 0.963 for HFrEF and 0.870 to 0.910 for HFpEF phenotyping, and an independent LLM-based rubric assessment of evidence support and methodological soundness scored the features at 81.5% of maximum points. These results demonstrate the feasibility of automated, auditable feature engineering for complex cardiovascular EHR data, though evaluation was limited to a single-institution cohort and external validation is needed.
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All authors Soorya Ram Shimgekar, Michelle Hu, Dorisa Shehi, Daniel Kang, Roy Ka-Wei Lee, Koustuv Saha, Christian Poellabauer, Christopher Lee, Sajeev Singh, Piyum Zonooz, Navin Kumar, Zeeshan Ahmed, Priyadarshini Kachroo

Machine Learning

An Optimal Agnostic PAC Algorithm

Let $H\subseteq\{-1,+1\}^X$ be a class of finite VC dimension $d\ge1$. Writing $L$ for the binary risk and $L^*=\min_{h\in H}L(h)$, we construct a learner achieving the statistically optimal risk bound: from an i.i.d.\ sample of size $n$, for every $0<\delta\le 1/2$, with probability at least $1-\delta$, \[ L(\widehat h) \le L^*+ 7\cdot10^8\left( \sqrt{\frac{L^*(d+\log(1/\delta))}{n}} +\frac{d+\log(1/\delta)}{n} \right). \] This settles the sample complexity of agnostic PAC learning up to universal constants at every fixed $L^*$, matching the lower bounds of Devroye, Györfi, and Lugosi [A Probabilistic Theory of Pattern Recognition, Springer, 1996].
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Machine Learning · Cross-listed from cs.GT

AV-AIVAT: 74x Cheaper Agent Evaluation with Certified Anytime-Valid Stopping in Imperfect-Information Games

Deciding which of two agents is stronger means playing games until skill outweighs luck, and every game costs money, model inference, or expert time. Since the number of games needed is unknown, fixed-budget evaluations either keep paying after the result is settled or stop before the agents can be told apart, while naive optional stopping with an ordinary confidence interval invalidates the stated level. We make such an evaluation stop as soon as its evidence suffices, with the guarantee intact. The Action-Informed Value Assessment Tool (AIVAT) reduces variance in imperfect-information games through conditional mean-zero corrections, by a median $54\times$ across 15 LLM agent configurations spanning 71,439 paired Heads-Up No-Limit Hold'em (HUNL) hands, but does not say when to stop. We combine AIVAT with continuously monitored Confidence Sequences (CSs) into anytime-valid AIVAT (AV-AIVAT), whose online value model learns only from past games so that no game scores its own correction. At the nominal 95% level and a target precision of $\pm1$ Big Blind, raw outcomes need a median $74\times$ as many hands as AIVAT-corrected outcomes to stop under the Asymptotic CS (AsympCS). Exact finite-sample certification uses the Empirical-Bernstein CS (EB-CS), which needs an independently justified bound on corrected payoffs. We establish such a bound structurally for Leduc hold'em and characterize a width floor set by the CS's bet cap and that bound, which governs how much of a variance gain becomes earlier stopping; the descriptive HUNL EB-CS runs show a median $1.37\times$ stopping-time ratio. AV-AIVAT turns variance reduction into efficient, auditable early stopping while separating asymptotic screening from exact certification, so an evaluation can stop the moment its evidence suffices and hand a third party everything needed to recheck the verdict at that very stopping time.
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Machine Learning

CalibForge: Adversarial Solver Calibration for Scaling Learnable Terminal Tasks

Training terminal agents requires executable and verifiable tasks that are not merely solvable, but appropriately challenging for learning. Executable validation establishes feasibility, yet does not reveal how a task behaves relative to a given solver setting. In this paper, we present CalibForge, an autonomous terminal-task synthesis system that uses verified solver behavior to revise candidate tasks through adversarial solver calibration. Multi-solver calibration targets disagreement within a heterogeneous solver pool, whereas contrastive solver calibration targets a designated strong-pass/weak-fail relation; both operationalize a solver-relative learnable zone anchored in demonstrated solvability. Using CalibForge, we construct 5,431 calibrated terminal tasks. Our ablations show that both strategies yield more effective supervision than authoring and validation alone or ordinary single-solver feedback. Models trained on the full collection achieve 31.84% and 47.57% on Terminal-Bench 2.1. The largest improvements over the corresponding base model reach 23.97 percentage points on Terminal-Bench 2.1, 26.54 points on SWE-bench Pro, and 30.04 points on Doc2Repo. Together, these results support solver-relative learnability as a practical target for constructing effective and transferable agent training data.
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All authors Fanzhe Meng, Guoxin Chen, Jiale Zhao, Shuang Sun, Yuzhi Lin, Wayne Xin Zhao, Ruihua Song, Ji-Rong Wen, Kai Jia

Machine Learning · Cross-listed from stat.ML

Scalable estimation of VARMA models

Vector autoregressive moving-average (VARMA) models have long been considered impractical beyond moderate dimensions: the likelihood is non-convex, the parametrization is identified only up to equivalence, and every evaluation costs a pass over the entire series. Yet their moving-average term captures with a few parameters what a pure autoregression matches only with many lags. We introduce an estimation framework that removes this computational barrier: each optimization iteration is independent of the series length $T$. The framework combines a partial-autocorrelation reparametrization that guarantees stationarity and invertibility by construction, Gaussian priors on the reparametrized coefficients with separate scales for diagonal and off-diagonal entries, and losses that depend on the data only through fixed-size sufficient statistics, evaluated by a Parseval (Fourier) identity at near-linear cost in the truncation length. This yields two point estimators: a regularized least-squares fit and a covariance-marginalized maximum-a-posteriori estimator. We prove that both recover the infinite-autoregressive representation of the true process at a near-parametric rate in fixed dimension, so the truncation introduces no asymptotic bias. The same machinery extends, at the same leading cost, to seasonal dynamics, exogenous regressors (VARMAX), and rolling-window refits. Empirically, the estimators stay close to the oracle forecast error from $d=10$ to $d=40$ (where classical conditional MLE returns non-invertible fits whose forecasts diverge) and match or beat VAR, Bayesian-VAR, component-wise ARMA, and sparse-VARMA baselines on retail-demand, meteorological, and air-quality data. This brings likelihood-based VARMA estimation, at a per-iteration cost independent of the series length, to the problem sizes where practitioners have so far relied on VAR models.
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Machine Learning · Cross-listed from stat.ML

Optimal Rates for Learning with Monotone Adversaries

A monotone adversary observes an i.i.d. labeled sample and appends a finite number of further examples of its choice, every one of them labeled correctly by the target hypothesis. The learner sees a uniform shuffle of the combined sample and is scored on the original distribution. Every example is correctly labeled, but the insertions depend on the clean sample, so the combined sample is not exchangeable. Larsen, Pabbaraju, and Shetty, who introduced this model, showed that empirical risk minimization attains expected error $O((d/n)\log(n/d))$ for classes of VC dimension $d$, and that every known optimal learner can be pushed away from the $\Theta(d/n)$ rate, optimal for PAC learning. They asked whether the extra logarithm is an artifact of those particular algorithms or an inherent consequence of the lack of exchangeability. We show that this additional cost is inherent beyond VC dimension one. In the worst case over classes of VC dimension $d$ and over known finite insertion budgets, the minimax expected error is $\Theta(1/n)$ at $d=1$ and $\Theta((d/n)\log(n/d))$ for $d\geq 2$. The same rates hold with Littlestone dimension $d_{\mathrm L}$ in place of $d$, so the clean online-to-batch rate $O(d_{\mathrm L}/n)$ is unattainable as well. Thus, somewhat counterintuitively, adding correctly labeled examples can make learning harder by a logarithmic factor, even for classes that admit finite mistake bounds in online learning. The dimension-one upper bound is achieved by a simple improper learner whose analysis adapts the leave-one-out argument underlying the one-inclusion graph. All of our lower bounds are elementary and come from a single construction: an explicit class and prior on which two target hypothesis, which differ a point of nonnegligible mass, produce the same sample.
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Machine Learning

RRC: Unlocking Generative Reward Models in LLM Reinforcement Learning via Ranking-Based Reward Construction

Recent advances in reward modeling show a paradigm shift from discriminative reward models to generative reward models. However, despite their strong capabilities in response ranking, generative reward models have not realized their potential in reinforcement learning (RL). Our analysis reveals that this limitation arises from a mismatch between the comparative nature of generative reward modeling and the scalar scoring paradigm adopted by existing RL algorithms. To bridge this gap, we propose a Ranking-based Reward Construction (RRC) approach, which enables generative reward models to provide more effective RL learning signals by deriving rewards from relative preference rankings. RRC introduces two complementary strategies: self-competitive ranking, which exploits comparisons among sampled responses, and anchor-guided ranking, which enables scalable ranking-based reward construction with a small set of reference responses. Experiments across open-ended chat and reasoning benchmarks demonstrate that RRC substantially improves RL training with generative reward models, achieving consistent gains over existing reward construction approaches. Our code can be found at https://github.com/wangclnlp/RRC.
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All authors Chenglong Wang, Ziming Zhu, Yifu Huo, Bei Li, Qiaozhi He, Yan Ding, Xiaoyang Hao, Yuxin Gao, Tianhua Zhou, Xiaojia Chang, Tongran Liu, Jingbo Zhu

Machine Learning · Cross-listed from cs.AI

HarnessOpt-Bench: Evaluating LLMs at Harness Optimization

As LLMs are increasingly deployed within agentic systems, their capabilities depend not only on the model weights but also on the harness: the prompts, tools, control flow, memory, and orchestration code surrounding them. This makes automated harness optimization – the iterative and evaluation-guided improvement of a harness by an AI system – both an important route to improving AI systems and a demanding capability for AI systems themselves. Yet the community lacks a common protocol for measuring how well frontier LLMs perform at this task. We introduce HarnessOpt-Bench, a benchmark for end-to-end harness optimization under expensive and stochastic evaluation. An optimizer, an LLM paired with a coding harness, receives a target agent's seed harness, graded evaluation feedback, and a fixed target-evaluation budget. It edits the harness and nominates a final candidate, which is scored by its normalized gain over the seed on a held-out test partition that remains inaccessible throughout search. A trusted execution environment enforces the evaluation boundary, meters target-agent resource use, and preserves candidate versions for audit. We evaluate 5 frontier LLMs as optimizers both under a shared coding harness and under their native harnesses across 4 downstream tasks, over 111 scored runs. Experiment results show that optimizer models separate more than the coding harnesses they act through, native harnesses are not consistently superior, and gains vary substantially across tasks and seed regimes. These results establish harness optimization as a measurable and discriminative capability with large space for improvement.
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All authors Varun Ursekar, Apaar Shanker, Yash Maurya, Shehab Yasser, Vijay S. Kalmath, Veronica Chatrath, Yuan Xue

Machine Learning

On-Policy Self-Distillation without Any Supervision

On-policy (Self-)Distillation (OPD / OPSD) has shown strong potential for post-training large language models (LLMs). However, existing methods still rely heavily on external supervision, including ground-truth signals, environmental feedback, or guidance from larger models, and therefore fall short of genuine "self"-distillation. In this study, we show that on-policy self-distillation can be achieved using only a model's own generations via internal consistency. We propose unsupervised on-policy self-distillation (U-OPSD). U-OPSD first samples multiple rollouts and constructs a pseudo solution by majority vote under a self-consistency threshold. It then conditions the model's distribution on the pseudo-solution and distills itself on the disagreeing completions, allowing the model to correct itself precisely where it is confidently wrong. Across diverse benchmarks, base models, and training settings, U-OPSD consistently improves over the base models and matches or surpasses supervised methods with ground truth (GT) such as OPSD and GRPO. On five mathematical reasoning benchmarks, i.e., AIME24, AIME25, HMMT25, MATH500, and AMC23, U-OPSD improves over the base model by 8.5% and 10.7% on Qwen3 non-thinking mode at 4B and 8B scales, and outperforms OPSD by 3.2% and 2.3% on average, respectively. In thinking mode, U-OPSD stays on par with OPSD, ahead by 0.9% at 4B and level at 8B and surpassing GRPO by 0.7% and 1.1%, respectively. Code is available at [https://github.com/williamium3000/u-opsd](https://github.com/williamium3000/u-opsd).
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All authors Yijiang Li, Bingyang Wang, Yijun Liang, Yunjie Tian, Di Fu, Nuno Vasconcelos

Machine Learning

FastKron: Efficient Quantization with Kronecker-Factored Hessians

We accelerate a family of algorithms for neural network quantization which utilize a two-sided version of the GPTQ/LDLQ algorithm. Standard GPTQ-style adaptive rounding uses one-sided correlation information derived from input activations. A natural two-sided extension can additionally capture correlations across output channels. It utilizes a general Kronecker-factored approximation of the weight matrix curvature. This approach has been used in BoA and YAQA. But making a concrete algorithmic implementation of this two-sided GPTQ variant is nontrivial. BoA uses a large number of sequential steps, while YAQA improves over the sequential depth but still has quartic total cost. We introduce FastKron, an efficient algorithmic implementation that combines anti-diagonal parallelism with a recursive divide-and-conquer construction. For an $m\times n$ weight matrix, FastKron uses $O(m+n)$ sequential steps while reducing the total work from $O(m^2n^2)$ to $O(mn(m+n))$. Thus, it matches the cubic scaling of GPTQ while exploiting richer curvature information. Moreover, FastKron is modular with respect to both the base quantizer and the Hessian estimator. We also provide practical benchmarks, consider a range of Hessian approximations that FastKron can be used with, and provide an efficient technique to compute these Hessians.
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