Machine Learning · Cross-listed from cs.CR
Papers
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Sunday 4 October
Multimodal models are increasingly shifting toward unified architectures that understand and generate text, images, and other modalities within a shared conversational context. This design enables fluid interaction across modalities, but it also changes the privacy threat model: Information revealed in one part of a conversation may remain accessible when the model later generates content in another modality. This risk is particularly concerning in settings where users rely on locally deployed models for privacy, assuming that sensitive interactions remain confined to their device. We introduce Privacy-Leaking Watermarks (PLWs): invisible, trigger-dependent watermarks that a malicious model provider can condition on prior chat history. With this adversarial intervention, the usual separation breaks: a sensitive keyword or semantic cue mentioned earlier in the conversation can cause a later, unrelated image to carry a hidden yet detectable watermark. PLWs pose a novel threat to users of unified multimodal models: A poisoned model can retain utility while covertly turning image generation into a channel for privacy leakage, even when deployed locally. Across 13 sensitive-attribute triggers and two model families, PLWs reach up to 100.0% TPR at 1% FPR. For example, across all tested conversational separations, OmniGen2 detects every prior disclosure of depression while falsely flagging only 1% of images generated without such a disclosure.
Machine Learning
VERA: Verdict-Conditioned Reliability for Adaptive LLM Judges
Accurately estimating judgment reliability is a central challenge in adapting LLM judges to newly verified feedback while preserving previously learned behavior. However, existing approaches often rely on output-level confidence, which can be overconfident and poorly aligned with judgment correctness. We propose VERA, a VErdict-conditioned Reliability Axis that estimates reliability from hidden activations by distinguishing correct from incorrect judgments within each predicted-verdict group. Using VERA as a control signal, we develop a VERA-guided periodic adaptation framework that integrates reliability-ranked corrective updates, reliability-residual replay, and periodic refresh of the reliability directions. After VERA-guided adaptation on Chatbot Arena, 8B- and 14B-parameter judges outperform the strongest baseline on each of four held-out public benchmarks, with relative gains of up to 23.01%. The framework also improves focal-class recall by up to 16.1% relative to the strongest adaptive baselines on a separate proprietary temporal auditing task.
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Machine Learning
Groupwise Distortion Guarantees for Preference-Based Alignment
Preference-based alignment methods such as reinforcement learning from human feedback (RLHF) and Nash learning from human feedback (NLHF) aggregate pairwise preferences to learn an LLM policy, but a natural goal is maximizing social welfare (average cardinal utility), which comparisons alone need not identify. Gölz, Haghtalab, and Yang (GHY) measure the gap by distortion: the worst-case ratio between the welfare of the best fixed lottery (distribution over responses) and of the learned lottery. They show NLHF is optimal when every user receives the same lottery. Account-based LLMs, however, have information about their users and can serve different lotteries to different people. We give an efficient algorithm, GLHF, that learns a single group-conditioned policy from one comparison per user. Under individual Bradley–Terry comparisons, GLHF asymptotically matches GHY's optimal population distortion bound simultaneously on every group in a prespecified, possibly overlapping collection, with sample complexity growing logarithmically in the number of groups and inversely with the smallest group mass. A sharper guarantee for groups with similar preferences approaches distortion of one when members share a feasible favorite response. In experiments using human coffee ratings and synthetic LLM-generated ratings, GLHF lowers distortion in every evaluated group and substantially reduces worst-group distortion relative to NLHF and other group-agnostic baselines.
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Machine Learning
Hierarchical Time-aware Bootstrapping for Off-Policy Subgoal Value Learning
Off-policy hierarchical reinforcement learning must estimate the values of high-level decisions while the low-level policy changes. HIRO adapts replay data through subgoal relabeling, but after a label change, the value update targets the relabeled subgoal instead of the subgoal the high-level policy originally needed to update. We propose Hierarchical Time-aware Bootstrapping (HTB), which evaluates specified subgoals under the current low-level policy while retaining accumulated task rewards. Remaining execution time distinguishes subgoal continuation from a new high-level decision. Together with primitive-action conditioning, it enables off-policy Bellman updates based on the stationary environment transition law. HTB combines these one-step updates with multi-step suffix returns and truncated relabeling, reducing dependence on intermediate value estimates. A shared value component supports learning across actions, while nonnegative residuals constrain upward corrections relative to that component. At a fixed mixture weight of 0.95, HTB achieves 32.8% AntFall success versus 9.6% for matched local HIRO over five paired seeds at 10M environment steps. Ablations identify contributions from recursive continuation and mixed supervision; fixed-policy tests show more accurate predictions for actions whose returns were excluded from fitting.
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Machine Learning · Cross-listed from math.AT
The sublevel Flood bifiltration: towards scalable 2-parameter persistent homology
Multiparameter persistent homology is a rapidly developing branch of topological data analysis that improves the robustness of single-parameter persistent homology to outliers, while still capturing the metric characteristics of the data. However, a notable limitation is its lack of scalability. In this paper, we introduce a novel approach for efficiently computing 2-parameter persistent homology on large point sets. Our work extends the Flood filtration, originally developed for single-parameter persistence. Our construction, called the sublevel Flood bifiltration, offers a scalable approximation of the sublevel offset bifiltration. We show that it benefits from theoretical stability properties and describe how to compute it efficiently. We demonstrate the performance of our approach in classification tasks on low-dimensional synthetic datasets, where density awareness is critical, as well as on real-world time series datasets.
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Machine Learning · Cross-listed from cs.GT
Learning in Continuous Games from Pairwise Preference Feedback
We study learning in continuous games when players receive only pairwise preference feedback, revealing which of two actions is preferred but neither payoff values nor preference magnitudes. We first show that standard external regret and coarse correlated equilibria (CCE) are not identifiable from this ordinal information: the same sequence of play can incur zero and linear regret in two ordinally equivalent games, while the distributions that remain CCE across all cardinal representations consistent with the same preferences are exactly those supported on pure Nash equilibria. Motivated by this gap, we develop a first-order ordinal theory based on normalized unilateral preference directions, introducing an ordinal directional regret benchmark and corresponding equilibrium notions. We show that block-normalized pseudogradient dynamics achieve sublinear ordinal regret and, under additional structure, Nash-convergence guarantees. We then use a single-comparison estimator to implement these dynamics from finite pairwise comparisons. With one comparison per player and round, the resulting algorithm achieves sublinear finite-resolution ordinal regret against arbitrary opponent behavior and, in ordinal potential games, almost-sure last-iterate convergence to the Nash set. Our results provide regret, dynamics, and equilibrium guarantees directly from preference feedback without reconstructing cardinal utilities.
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Machine Learning · Cross-listed from cs.CV
Unmentioned Checklist Findings Change How Reinforcement Learning Appears to Improve Chest Radiograph Report Checking
Automated checks of radiology reports may rely on AI-generated checklists that leave findings unmentioned. We used reinforcement learning to train a vision-language model to fill in a 12-finding checklist from a chest radiograph without seeing the sentence under test; a separate checking model judged the sentence from the checklist. On held-out patients, a rule-based check and an independent medical checker, neither used in training, measured discrimination gains (Youden index) of 12.6% and 11.8%; only the rule-based check met the prespecified false-alarm criterion. Switching to the training format, which fixes finding order and enters unmentioned findings as absent, raised the training checker's measured gain and lowered the independent checker's, a prespecified comparison that yielded 6.2% (95% interval 2.0% to 10.5%) and, post hoc on held-out patients, 7.7%. Across 8 checking models, acceptance of a label-consistent negative statement about an unmentioned finding ranged from 1.0% to 97.0%. Labels were report-derived, not radiologist-adjudicated.
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Machine Learning
BeliefGraph-JEPA: Structured Latent World Models for Action-Conditioned Time Series
Action-conditioned time-series forecasting requires accounting for how future actions and exogenous forcings influence multiple targets through partially observed effects with different delays and persistence. Direct conditioning leaves the evolution and target-specific influence of these effects implicit in the predictor, while static relational graphs specify connections without tracking evolving effects. This motivates representing future-driver influence through structured latent states that evolve over the forecast horizon and route information to individual targets. We introduce BeliefGraph-JEPA, a structured latent world model that factorizes driver influence into typed latent-effect states. These states are rolled forward under future drivers and routed through a graph to target-specific nodes, forming the predictive base of a joint-embedding predictive architecture. A capacity-controlled residual supplements this base with direct driver information. On four multi-target clinical, agricultural, environmental, and industrial systems, the framework outperforms a range of pretrained and supervised known-future-covariate baselines. Matched controls isolate latent dynamics, future rollout, graph routing, and residual capacity; future rollout and graph-first residual routing improve forecasting across all four systems.
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Machine Learning
Task Vector Descent: Learning from Non-IID Batches
A central challenge in continual learning is to acquire new knowledge without forgetting what the model has already learned. This challenge appears in language model training when training data comes from various domain-, user-, or task-specific distributions that are encountered unevenly over time. In such settings, successive minibatches are temporally clustered by distribution instead of being sampled i.i.d. from the overall data mixture. Training on temporally clustered data induces a stability-plasticity tradeoff. Adapting the model to the active distribution can improve the model on the active distribution but may lead to a performance degradation on data it previously trained on. We find that this tradeoff intensifies with longer exposure to the same distribution. We therefore ask if the parameter displacement produced by such a sequence (the task vector) should be fully retained or applied partially. We compare applying the full displacement ($\lambda=1$) with partial integration, which scales the task vector by $\lambda$ before applying it to the continuing model and scales the optimizer state by the same coefficient. Across continual pretraining, pretraining from random initialization, supervised post-training, and reinforcement post-training, we find that intermediate values of $\lambda$ often improve average continuing-model performance relative to full integration, particularly after longer same-distribution sequences. In continual-pretraining experiments with both controlled streams and naturally defined adaptation sequences, task-vector scaling outperforms full integration at the matched learning rate, showing that its benefits are not reproduced by learning-rate scaling alone.
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Machine Learning
No Concept Escapes the Audit: Auditing-Aware Unlearning for Verifiable Concept Erasure in Diffusion Models
Text-to-image diffusion models can generate prohibited content, which motivates concept erasure through machine unlearning. Most erasure methods intervene at the text interface, through prompt modification or localized updates to text-conditioning weights, and they are evaluated by what the model outputs for given prompts. Such evaluation cannot see what the network still encodes. Latent-space auditing, which bypasses text conditioning and probes the denoising network directly, shows that erased concepts remain recoverable from internal representations. We find that this also holds for methods built to be robust against adversarial prompts, and that the problem grows with the number of erased concepts. We propose Auditing-Aware Unlearning for Verifiable Concept Erasure in Diffusion Models (AVCE), a framework that grounds erasure in the model's latent representations. AVCE audits the embedding neighborhood of each concept and condenses the discovered vulnerable directions into an anchor at the weakest geometric point. It edits cross-attention and self-attention projections in closed form at this anchor, then fine-tunes the two pathways with pathway-level auditing losses, using orthogonal gradient projection to consolidate multiple concepts. Experiments on SD v1.5, SDXL, and Flux 1.0 across object, explicit-content, and artistic-style unlearning show that AVCE reduces attack success rates by 5.07x and improves auditing scores by 3.84x over the strongest baseline, while preserving competitive generation quality.
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Machine Learning
Efficient Graph Generation via Direct Prediction and Flow Matching
Generative modeling of graph-structured data is crucial for tasks ranging from drug discovery to social network simulation. Among these models, denoising diffusion models have achieved great success in graph generation by learning to progressively reverse a process that adds noise to the original graph. However, the standard noise-prediction approach of diffusion models is suboptimal for graph data. The goal for a graph generative model is to learn the clean graphs' topological properties, such as connectivity and degree distribution. Because a diffusion model that predicts noise does not explicitly learn these topological properties, it is challenging for the model to output graphs with the desired structural statistics. To address this challenge, we introduce Direct Graph Flow Matching (DiGFM), a novel graph transformer model guided by two goals: predict clean graphs and improve sampling efficiency. Distinct from the prevailing diffusion approach, DiGFM employs a continuous flow-matching paradigm and integrates direct graph prediction. Specifically, DiGFM maps the prior noise distribution to the clean graph distribution via a multi-step process: the model repeatedly predicts the underlying clean graph, and a transformation is employed to convert the model output to the velocity vector that points in the direction toward the clean graph distribution. This design enables DiGFM to generate high-quality samples using only 2.5% to 15.6% of the steps required by diffusion-based models, which leads to a 5.3x to 257x speedup in wall-clock inference time. Experiments demonstrate that DiGFM outperforms or matches prior state-of-the-art models across general graph benchmarks and molecular datasets, generating graphs with strong adherence to ground-truth structural statistics at significantly faster inference speeds.
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Machine Learning
GNN-CB: A Graph Neural Network Competition Benchmark for Human and LLM Evaluation
Large language models (LLMs) have demonstrated strong performance on coding and reasoning benchmarks; however, their ability to solve graph-structured machine learning problems remains largely unexplored. In particular, no benchmark currently evaluates whether LLMs can autonomously solve end-to-end Graph Neural Network (GNN) coding tasks under realistic competition settings. To address this gap, this paper introduces GNN-CB, the first competition-based benchmark for evaluating both humans and LLMs on GNN coding tasks. GNN-CB consists of 18 curated competitions spanning node-, edge-, and graph-level prediction across diverse graph categories, domains, and difficulty tiers. All submissions are evaluated through a unified automated pipeline with hidden test sets and standardized scoring. Human participants solve tasks under controlled competition constraints, while LLMs are evaluated using a frozen zero-shot prompting protocol based on a plan-then-code paradigm with bounded execute-and-repair loops. The benchmark additionally supports both non-agent and autonomous agent-based evaluation within the same protocol. Under our evaluated protocol, LLMs rarely match Human Top performance and show less stable performance across competitions. No single model dominates: a few competitions are won by LLMs, yet humans still hold the top score on most tasks. We release GNN-CB as a living benchmark with automated evaluation infrastructure, dynamic leaderboards, and reproducible execution pipelines. Beyond benchmarking, GNN-CB provides a practice-oriented resource for studying GNN implementation across progressively diverse graph-learning tasks. The benchmark and evaluation framework are publicly available at https://basiralab.github.io/GNN-CB/.
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Machine Learning
Does Explainability Survive Data Drift?
Model performance monitoring is a standard practice in machine learning deployments. Detection performance is tracked continuously, and model decay is expected as the relationship between the feature and target variables degrades, a phenomenon known as concept drift. Explanation fidelity, however, is rarely monitored with the same discipline, even in domains such as financial systems, healthcare, and other regulated environments where explanations are required for governance purposes. This paper investigates whether explanations can decay under data drift, even when the feature-target relationship remains stable, and whether explanations produced before drift occurs remain faithful to the decisions of the model that replaces them. Using the IEEE-CIS Transaction Fraud Detection dataset, we find statistically significant covariate shift but no statistically significant evidence of concept drift under the implemented conditional-drift tests, thereby providing an empirical setting in which input distributional change can be studied separately from detectable changes in the feature-target relationship. Local explanations are generated with ExIFFI and evaluated at three levels: path validity, structural behaviour, and fidelity under controlled intervention. Results show that while prior explanations retain substantial decision relevance to a retrained model, they are consistently less faithful than newly generated explanations, with no evidence of a systematically widening gap across the evaluated windows. The study shows that explanation fidelity requires its own monitoring, that structural stability of explanations does not guarantee functional fidelity, and that explanations should be treated as artifacts tied to the model that produced them.
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Machine Learning
Distributed Subliminal Learning: Replacing Model Updates with Random-Carrier Outputs
Collaborative learning typically exchanges model parameters: federated clients communicate updates, while independently adapted foundation models are combined by exchanging adapters or checkpoints. This makes communication scale with model size and requires local specializations to be reconciled in weight space, where interference is common. We ask whether knowledge can instead be shared through model behavior on task-unrelated inputs. We introduce Distributed Subliminal Learning (DSL), a collaborative learning primitive in which participants adapt a common model locally, probe it with task-unrelated inputs, and transmit only the resulting carrier outputs. A coordinator pools these outputs and distills them into a shared model. The primitive supports one-shot foundation-model composition through carrier completions and iterative federated learning through carrier logits, without transmitting model updates or requiring task-related proxy data. In LLM composition, compared with LoRA averaging, DSL achieves higher preference retention (94.56% vs. 87.76%) and a larger GSM8K gain over the base model (22.0 vs. 0.6 points), while reducing upload by 30.6-49.0$\times$. In federated classification, DSL reaches 96.83% on MNIST with 8.9$\times$ less uplink than FedAvg and provides lower-communication operating points on CIFAR-10 and Tiny ImageNet. These results establish random-carrier outputs as a practical communication primitive for knowledge sharing across distinct collaborative learning paradigms.
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Machine Learning
Robust Ensemble Guidance for Scientific Inverse Problems
Ensemble guidance combines pretrained diffusion priors with black-box forward models to solve inverse problems without differentiating through the physical simulator. However, observation coordinates with large predictive spread or extreme residuals can dominate the ensemble correction, degrading reconstruction accuracy. We show that two simple modifications, weighting and clipping, substantially improve this correction. Our method, Robust Ensemble Guidance (REG), uses ensemble predictive spread to balance observation scales and adaptively clips standardized residuals to limit the influence of extreme discrepancies. Both operations reuse existing particles and forward predictions, requiring no additional denoiser or forward-model evaluations. Under a local linear Gaussian model, we derive conditions for reduced one-step estimation risk, bound the influence of individual observation coordinates, and characterize when these benefits persist with finite ensembles. Experiments on Navier-Stokes inversion, black-hole imaging, and acoustic full-waveform inversion demonstrate improved reconstruction over the underlying ensemble solver. In particular, REG increases black-hole reconstruction PSNR by 6.2-8.2 dB across three observation regimes and reduces Navier-Stokes reconstruction error by 26.4% in a matched-budget comparison. These findings highlight the importance of observation heterogeneity and residual influence in designing reliable generative solvers for scientific inverse problems.
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Machine Learning
The Effect of Missingness-Pattern Mismatch on Method Selection for Time-Series Classification: A Controlled Empirical Study
Classifiers for time-series classification are commonly selected on validation data, but the temporal pattern of missing observations at deployment may differ from the pattern seen during validation. We examine whether such a mismatch affects validation-based classifier selection. In a controlled $2 \times 2$ design, validation and test sets of 64 univariate UCR datasets were masked with either random point missingness or circular block missingness at six rates from 5% to 30%, imputed by linear interpolation, and used to select among three prespecified candidates: 1NN-DTW, MiniRocket with a Ridge classifier, and a statistical-feature Random Forest. Training data remained complete, and selections made under matched and mismatched validation patterns were compared on the same masked test sets. Mismatched validation reduced the test balanced accuracy of the selected classifier by 1.14 percentage points on average (95% CI 0.79 to 1.51), with losses on 49 of the 64 datasets. The loss was negligible at 5% missingness and increased to 2.46 percentage points at 30%. It was concentrated in point-masked deployment (1.84 percentage points), where block-masked validation shifted selection away from the usually best candidate, while the effect for block-masked deployment was small and not significant. Mismatch changed the selected classifier in 35.5% of paired comparisons, but a changed selection did not always reduce performance. A supplementary analysis with non-wrapping linear blocks reproduced these findings with a larger effect (1.67 percentage points). Matching the missingness pattern of validation data to the expected deployment pattern is therefore a simple safeguard for method selection, particularly at higher missingness rates.
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Machine Learning · Cross-listed from cs.LO
AIProver: Agentic Auto-Formalization of Mathematical Research via Certificate-Driven Evolving Harness
Proof auto-formalization translates natural-language (NL) theorems and proofs into a formal language (FL) such as Lean, enabling mechanical verification. Despite rapid progress, research-level proofs often depend on concepts missing from leading proof assistant libraries (e.g., Lean's Mathlib), and successful compilation does not guarantee that a translation preserves the theorem's meaning or the proof's reasoning. Furthermore, aligned NL-FL training data are scarce, and leading agents often rely on costly frontier models and manually engineered harnesses. To address the above issues, we present AIProver, an agentic framework for autonomous proof auto-formalization and proof synthesis (AFPS) that jointly post-trains a 119B open-weight language model and evolves its agentic, tool-calling harness with HarnessEvolve. Verifiers assess type correctness, proof completeness, and semantic correctness, returning rewards and diagnostic certificates that drive model fine-tuning and alternating reinforcement learning via symbolic feedback and HarnessEvolve, a certificate-driven evolutionary search over the whole harness control flow that re-tailors the harness to the updated model. For research-level training and evaluation, we introduce LoCoBench, 58.9k instances from Mathlib, CSLib, Mizar Math Library, and a bounded-arithmetic textbook, with a 771-instance validation split whose theorem-proof pairs have no public Lean formalization. Against 39 frameworks spanning AFPS agents, frontier LLMs, and coding agents, AIProver lifts pass@4 semantic correctness over its Leanstral-1.5 base from 15.7% to 36.7% and outperforms every other open-weight system and Aristotle. As a Claude Code and Codex skill, it lifts their semantic correctness from 41.9% and 34.1% to 79.8% and 62.4%, respectively. Further, it is also 24% cheaper than Numina-Lean-Agent, pushing the accuracy-cost frontier of research-level AFPS.
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Machine Learning
FACET: Factorized Asymmetric Conditioning for Efficient Transport in High-Fidelity Fluorescence Microscopy Synthesis
Fluorescence microscopy reveals where proteins localize, but only a limited number of proteins can be imaged in the same cell; generating these images from amino-acid sequence and the cell's morphological context enables in silico localization of unimaged proteins. The two conditions, however, play asymmetric roles: morphological context is spatially aligned with the target, whereas sequence is non-spatial and must specify protein-dependent localization within it, with recurring coarse patterns shared across proteins and finer protein-specific variation. Existing generators condition on both jointly, without separating what each explains. We introduce FACET (Factorized Asymmetric Conditioning for Efficient Transport), a probabilistic generative framework that encodes this structure as an explicit inductive bias: sequence semantics are learned from what context leaves unexplained, coarse localization regularities are shared across proteins through a semantic memory, and protein-specific variation is a bounded residual around them. A variance-preserving state projection further lets FACET perform continuous stochastic transport through a pretrained diffusion predictor with minimal parameter overhead. On held-out proteins, FACET improves spatial overlap by 34.3% on the Human Protein Atlas and 14.0% on OpenCell over a backbone-matched baseline, and reduces FID by 27.2% and 46.5%, respectively, with 75% fewer network evaluations. It also substantially improves protein-association structure recovery and yields better-calibrated predictions, while detailed ablations show complementary contributions from its design choices. These results identify factorized asymmetric conditioning, rather than generator capacity alone, as a key lever for high-fidelity, efficient, and biologically meaningful cellular image synthesis.
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Machine Learning
Rethinking Tabular Foundation Models On Data Streams
Tabular foundation models (TFMs) outperform established machine learning models on tabular benchmarks through in-context learning. Building on this success, interest is growing in applying them to data streams, where data arrive continuously and evolve over time. On a stream, a TFM adapts by updating its context rather than its parameters, so its accuracy and cost depend on which examples it keeps and how often it rebuilds its context. We therefore present a systematic study of TFMs on data streams, covering memory management, computational cost, and stream-specific challenges such as concept drift and delayed labels. We find that TFMs achieve the highest predictive performance and that simply retaining the most recent examples is as effective as existing memory management techniques. They also recover faster than streaming learners after drift and keep the highest accuracy under label delay. This accuracy, however, comes at a high serving cost, since a nearly unchanged context is re-encoded at every prediction. These results point to architectural efficiency as the way forward for in-context stream learning.
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Machine Learning
Task Inference Beyond Least Squares in Behavioral Foundation Models
Behavioral Foundation Models (BFMs) aim to solve a wide range of downstream tasks without test-time policy learning by inferring a task vector from the reward function. While efficient, the retrieved policies are often suboptimal because of how this task vector is inferred, typically with ordinary least squares (OLS). OLS minimizes reward reconstruction error but leaves the ordering of rewards unconstrained, which can bias the successor measure of the retrieved zero-shot policy away from that of the optimal policy. In this work, we propose BLS, an efficient test-time inference method that balances minimizing reward reconstruction error with reducing successor-measure mismatch. Theoretically, we provide a suboptimality gap upper bound characterized by both successor-measure and reward-function residuals. Empirically, we evaluate BLS on top of state-of-the-art BFMs across benchmarks for locomotion, manipulation, and humanoid control. BLS outperforms existing task inference baselines with negligible computational overhead. Project page: https://embodiedai-ntu.github.io/BLS
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Machine Learning
Reflections and Fragments: Securing LLMs Against Sequential Mosaic Attacks
Self-play red-teaming improves language-model safety by pitting attacker and defender roles against each other in a zero-sum game. However, real adversaries increasingly use mosaic attacks: multi-turn sequences whose individual fragments are innocuous in isolation yet assemble into a harmful payload. We develop a theory of mosaic defense that characterizes what is required to prevent such attacks without sacrificing helpfulness. We first show that no fixed bounded window of recent prompts is sufficient in general: safety-relevant information may occur arbitrarily far back in the interaction. We formalize a watchman, an online state mechanism that carries this information forward, and show that under explicit assumptions it enables zero-failure defense with positive benign helpfulness. Under stronger conditions, it is also optimal among zero-failure defenders. An exact watchman may nevertheless require exponentially many states, while exact maliciousness detection can require exponentially many queries in an unstructured black-box model. These state and query lower bounds do not by themselves imply hard learning: the construction underlying the state lower bound is efficiently learnable from labeled examples, whereas certifying worst-case safety can require substantially more information under restricted access. We also show that self-play equilibrium alone does not certify usefulness, motivating a constrained formulation that maximizes worst-case benign helpfulness among zero-failure defenders. Empirically, training role-specific attacker and defender LoRA adapters over frozen LLMs via multi-turn self-play strengthens both roles: attackers become more effective at eliciting harmful responses, while defenders become more robust to attack, with improvements also observed on unseen attack objectives.
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Machine Learning
On Semi-Markov Suboptimality in Hierarchical Reinforcement Learning
Hierarchical reinforcement learning uses temporally extended subtasks for exploration, yet committing to their execution can restrict both deployment and policy learning. We identify and separate the resulting execution and policy suboptimality. Task and execution trees distinguish reward objectives from policy choices and decision interruption. A Unified Value Function for HRL and a four-stage Generalized Hierarchical Bellman Equation then support a common analysis of both losses. Under bounded rewards and uniform termination, we establish hierarchical policy and execution improvement results. With the remaining node policies fixed, task-subtree compatibility and node-policy optimality under the original execution mode establish when Markov execution is optimal. The resulting decomposition leads to independent execution choices for behavior, targets, and deployment. We instantiate this principle through execution improvement and one-stage or two-stage policy improvement at arbitrary hierarchy depth. Option-based and goal-conditioned experiments demonstrate complementary gains from changing execution and changing the learning target. Controlled stochastic environments show how these gains depend on stochastic transition strength and spatial structure. This framework makes execution design an explicit component of hierarchical policy optimization.
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Machine Learning
Green-Routed Neural Operators: Physics Determines Where the Network Reads
We identify a mismatch between the physical role of transport fields in many PDEs and their usual role in neural operators: PDEs use them to select read coordinates, whereas neural operators typically treat them only as input values. We address this mismatch with the Green-Routed Neural Operator (GRNO), which uses the governing equation to determine where latent features are sampled. A parameter-free equation adapter evaluates the diagnostic relation and constructs a departure map whose values are the read coordinates. A multiscale encoder-decoder combines centered and routed reads of latent features to learn the complete finite-time update. Across five two- and three-dimensional PDE systems, GRNO achieves the lowest mean final relative $L^2$ error on four under 40-step autoregressive evaluation and remains competitive on Keller-Segel. Fixed-weight route interventions reveal strong dependence on direction and spatial alignment in four systems, with weak dependence in Keller-Segel. In independently trained ablations, GRNO achieves lower mean errors than variants that supply the transport field only as an input feature, substitute a learned displacement for the equation-specified route, or apply the route with a spatial misalignment, across all five systems. It also substantially outperforms directly advecting the physical state and learning the remaining update, indicating that equation-specified read coordinates provide an effective structural prior for long-horizon PDE forecasting.
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Machine Learning · Cross-listed from cs.AI
AgentDiscover: Autonomous Discovery with Minimal Search Scaffolding
Frameworks that use large language models for scientific discovery typically rely on a fixed, human-designed algorithm that decides what the model sees at each step, leaving the model only the role of proposer. The model knows nothing of the search beyond what it is shown. As models grow more capable, a question arises: does a search strategy chosen by a human before the run scale better than promoting the model from proposer to planner and letting it own the search? The Bitter Lesson suggests that choosing the strategy in advance is the kind of hand-designed structure that general methods eventually outscale. We introduce AgentDiscover, in which a coding agent plans the search using its context as working memory, runs experiments, and records every attempt in a database of ideas, candidates, and their relations. This database serves as the agent's long-term memory and is structured so that the selection rules of classical algorithms such as MAP-Elites and Monte Carlo tree search each reduce to a single query, which the agent is free to use, combine, or replace. A server maintains the database and steers the agent after every submission, keeping it on course over long runs. In our experiments, AgentDiscover is more cost-efficient than existing frameworks, reaching better scores at lower cost. On tasks in kernel engineering, biology, algorithm design, and mathematics, AgentDiscover outperforms prior discovery frameworks. Its programs would have placed first among human competitors in seven past AtCoder heuristic contests, and on eleven mathematical and systems optimization tasks it matches or exceeds every baseline that uses the same model. Our code is available at https://github.com/mhdfb/AgentDiscover.
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Machine Learning
Diffusion Transformers are Provably Optimal In-context Generators
Generative foundation models are attracting interest for their ability to produce desired outputs from demonstrations given at inference time, without updating parameters. However, since a few demonstrations cannot uniquely identify the intended task, the challenge is how to learn and sample from an output distribution that reflects this task uncertainty. In this work, we theoretically analyze how a Diffusion Transformer (DiT), pretrained across diverse tasks, learns and generates predictive distributions for a new query from demonstrations. We first show that the natural target to generate from finite demonstrations is not an output derived from estimating a single task, but rather a predictive distribution that captures the task uncertainty remaining after observing the demonstrations. We then prove that a DiT can learn this predictive distribution through score estimation, using attention to aggregate information from demonstrations and diffusion to generate samples. Owing to this property, with sufficient pretraining resources and diffusion sampling steps, the resulting DiT achieves the minimax optimal rate over a Hölder class of test-time tasks. These results imply that DiT acts as a statistically grounded in-context generator capable of generating distributions adapted to new tasks while retaining the uncertainty inherent in finite demonstrations.
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Machine Learning
Compact set-valued deep ensembling in multi-class classification
This paper tackles visible challenges in deep ensemble learning, where deep neural networks serve as ensemble members: training and storage burdens, and robustness of cautious (set-valued) predictions targeting multiple utilities, which may involve reward-sensitivity. To mitigate the training and storage burdens, we propose to employ compact ensembles, such as Bayesian Neural Networks and Convolutional Neural Networks with the Monte-Carlo dropout prediction option, to produce probabilistic predictions. For each query instance, these probabilistic predictions are then used to define a representative distribution optimizing some statistical distance. The representative distribution is then employed to define the Bayes-optimal prediction (BOP) of any utility. To address the potential unrobustness of singleton prediction making, we propose a family of set-utilities satisfying some desirable properties and whose set-valued BOPs can be found efficiently. Empirical evidence is then given to illustrate the potential (dis)advantages of the proposed ensemble learning framework.
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Machine Learning · Cross-listed from cs.RO
VAMPS: Visual and Motor Policies from Sampling-Based Planning
Learning robot policies directly on physical systems remains difficult because data collection is costly and policy exploration can be unsafe. We introduce Visual and Motor Policies from Sampling-Based Planning (VAMPS), a framework that uses Model Predictive Path Integral (MPPI) control to train reusable policies without human demonstrations. VAMPS supports two training modes. For one-step proprioceptive policies, it operates iteratively in simulation: the policy warm-starts MPPI, and the refined trajectories provide new supervision as the policy changes. A learned terminal value improves short-horizon planning, while an Implicit Q-Learning (IQL) critic guides the policy update. Iterative refinement outperforms training once on frozen MPPI data, and we transfer the learned locomotion policy to a Unitree Go2. For visuomotor policies, VAMPS operates directly from real-robot data. MPPI uses task-specific state estimates to plan and execute trajectories while recording RGB and sensor observations on a Flexiv Rizon 10S. Action Chunking with Transformers predicts action chunks, reducing the effective prediction horizon, and is trained offline on this fixed dataset. We demonstrate visuomotor pick-and-place and force-aware whiteboard erasing. In the latter task, the policy additionally observes the measured $6$-D wrench and desired normal force. These results show that VAMPS can learn policies either in simulation followed by hardware transfer or directly from autonomously collected real-robot data.
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Machine Learning · Cross-listed from cs.DS
CT-Miner: Fast and Coarse-Grained Time-Series Pattern Mining via Cartesian Trees
Time series often contain recurring structural patterns, and efficiently mining such patterns into compact representations is essential for scalable analysis of long sequences. Cartesian tree (CT) equivalence provides a well-established structural abstraction that preserves hierarchical order structure while discarding exact values and fine-grained ordinal variations. By grouping multiple ordinal patterns into a shared structural form, CT equivalence offers a principled way to compress recurring temporal structure. However, mining frequent CT-equivalent patterns at scale remains computationally expensive. A naive pairwise approach repeatedly constructs and counts CT representations over subsequences, requiring $O(n^4)$ time for a sequence of length $n$, which severely limits its applicability to long sequences. We propose a new Cartesian pattern mining algorithm based on a Cartesian suffix tree that compactly organizes CT-equivalent subsequences and reuses shared structural information. Our method reduces exhaustive CT-pattern occurrence collection from $O(n^4)$ to $O(n^2)$ time, and we formally prove the correctness and complexity bounds. We further show that this computational gain translates into effective compact representations. Across diverse time-series datasets, a small set of mined CT patterns preserves meaningful clustering structure, and comparisons with finer-grained order-preserving representations show that CT equivalence reduces redundant ordinal distinctions under limited feature budgets. Our implementation is available at https://github.com/hyundong98/CT-Miner .
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Machine Learning
Understanding the Weight Averaging Mechanism in LLM Training for Post-Training Quantization
Large language models (LLMs) are typically pretrained in high precision but increasingly deployed with low-precision post-training quantization (PTQ). Recent studies have shown that using weight averaging during pretraining can improve PTQ performance compared with learning-rate decay, suggesting that it might provide a simple way to improve the pretraining-to-quantization transition. But the mechanism behind weight averaging remains insufficiently explained. This leads to inconsistent and fragile performance gains, thereby preventing practitioners from applying such a technique confidently. As a response, we formulate weight averaging as a trade-off between retaining training progress and improving robustness under perturbation. We further derive a continuous family of averaging kernels that unifies conventional strategies and achieves the Pareto frontier between the two competing goals. Critically, a theoretical framework for performing weight averaging under PTQ is developed. It can be shown that coarser quantization is more susceptible to perturbations, whereas finer quantization could be less affected. Thus, our results could provide unified theoretical guidance for performing weight averaging under different PTQ conditions. Experiments validate both the predicted behavior and the proposed averaging strategy. Code is available at https://github.com/MOFA-LAB/weight-averaging-for-ptq.
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Machine Learning · Cross-listed from cs.RO
CoDance: Learning Reactive and Compliant Human-Humanoid Interaction from Video
Partnered human-humanoid interaction couples locomotion with continuous physical contact. A humanoid needs to coordinate with a person's motion while responding to interaction forces and maintaining stable and natural movement. We present CoDance, a framework for learning reactive and compliant human-humanoid interaction from video. We study partnered dancing as a challenging instantiation, where a humanoid coordinates its footsteps with a moving partner and maintains continuous two-hand contact. Given a single video of two human dancers, CoDance retargets their motions into a robot reference and a moving partner. We introduce a multi-link compliance augmentation that transforms the kinematic demonstration into force-aware training data by adapting the robot reference under structured forces at both hands. Policies trained on this data follow the observed partner while preserving the demonstrated locomotion style and responding compliantly to physical interaction. In simulation, the policies adapt their footsteps to changes in the partner and reproduce approximately 80% of the wrist displacement encoded by the augmented demonstrations. On a physical humanoid, CoDance enables sustained two-hand dancing with a human partner including repeated transitions between forward and backward motions.