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Computer Science Machine Learning

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Wednesday 27 May

Machine Learning

Score Based Error Correcting Code Decoder

Error-correcting codes enable reliable communication, yet practical soft decoding remains challenging across code families and block lengths. We propose SB-ECC, a score-based decoder that casts decoding as continuous-time denoising. A neural denoiser defines a probability-flow ordinary differential equation (ODE) that iteratively updates the noisy channel observation toward a valid codeword, guided by parity constraints. The model is trained across noise levels without time/SNR conditioning, enabling inference without SNR estimation and supporting a direct latency accuracy trade off controlled by the ODE solver budget. We use the raw signed channel observation as input for learning a continuous denoising field. Across 42 code/SNR settings, SB-ECC achieves the best BER in 39/42 entries, with an average SNR gain of 0.17dB and a maximum gain of 0.46dB over the strongest competing baseline, we showed that swapping the solver from Euler to DPM preserves -ln(BER) while reducing end-to-end decoding time by 8.86% on average (up to 12.82%).
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Machine Learning

Detecting Diffusion-Generated Time Series Under Generator Shift

The boundary between real and diffusion-generated time series is becoming increasingly difficult to draw, yet detection in this domain remains underexplored, especially when the generator is unknown. We compare white-box detection, which requires access to the generator, against black-box detection, which operates on the raw signal alone. The white-box approach, a reconstruction-based detector adapted from the image domain, works well in in-distribution but breaks down under generator shift: reconstruction-based detection in images succeeds because large generic generators provide a near-universal reconstruction prior, and no analogous generator exists for time series. In contrast, a simple off-the-shelf classifier used as a black-box detector performs remarkably well, achieving an average F1 of 79.2, a 22.1% relative improvement over the white-box approach, and a TPR@1%FPR of 57.2. Diffusion-generated time series detection is therefore not a direct transfer of the image domain problem. This work provides the first systematic exploration of white-box and black-box detection for diffusion-generated time series. We close by identifying several open and promising directions.
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All authors Zhi Wen Soi, Aditya Shankar, Gert Lek, Abele Mălan, Daniel Neider, Jian-Jia Chen, Lydia Chen

Machine Learning · Cross-listed from cs.AI

Picid: A Modular Evaluation Infrastructure for Reproducible PHM Across Tasks and Domains

Progress in Prognostics and Health Management (PHM) is hindered by the lack of standardized and reusable evaluation practices across tasks, datasets, and application domains. Reported results are often difficult to reproduce and compare, as key protocol choices, such as data splits, preprocessing, label alignment, temporal windowing, and metrics, are often implicit or implemented ad hoc. We introduce \picid, a modular evaluation infrastructure that formalizes the PHM evaluation pipeline as an explicit, executable, and reproducible protocol. Through well-defined abstractions, \picid enforces deterministic, leakage-safe dataset construction while remaining flexible across diverse PHM settings. The framework supports fault detection, diagnostics, and prognostics through a unified interface and can be extended to new datasets and model classes without violating protocol invariants. By standardizing data contracts and evaluation boundaries, \picid also enables fair cross-task comparisons across diagnostics (classification) and prognostics (regression), allowing identical model families to be evaluated consistently across heterogeneous settings. We demonstrate \picid through an empirical evaluation of thirteen models on twelve datasets spanning batteries, bearings, turbofan engines, hydraulics, filtration systems, and buildings. This work establishes a reusable foundation for standardized, fair and reproducible evaluation in PHM.
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All authors Lev Telyatnikov, Raffael Theiler, Leandro Von Krannichfeldt, Olga Fink

Machine Learning · Cross-listed from stat.ML

Decision-focused learning for optimal PV-Battery scheduling

The use of residential photovoltaics has increased dramatically in recent years. With battery systems becoming more affordable, the optimal operation of a photovoltaic-battery system can bring significant savings to households. Optimal control requires correct forecasts of underlying parameters, such as photovoltaic power generation, to schedule the battery. While forecasting models have become increasingly accurate due to algorithmic advances and data availability, accuracy is typically measured in generic metrics which might not align with the downstream application. This study proposes a decision-focused learning framework that integrates optimization and prediction by training a Long Short-Term Memory photovoltaic energy forecaster on the downstream optimal scheduling of a battery system. The proposed methodology is compared against a standard two-phase approach. Across a 14-month evaluation period, the decision-focused method reduced average electricity costs across twenty buildings by 3.6% when normalized against performance bounds defined by a perfect forecast and a baseline of no optimization. Critically, this financial improvement was achieved despite the model exhibiting a root mean squared error of 19.9%, significantly higher than the decoupled model's 8.2%. Warm-starting the decision-focused model further improves results, lowering average cost by approximately 8%, while also mitigating the negative impact on statistical accuracy (root mean squared error of 13.7%). The findings are statistically significant at the 0.001 level across the twenty households and for each household individually. These results demonstrate that aligning forecast models with optimization goals is key for achieving cost advantages in PV-battery systems. Future research should replicate these findings on other datasets, alternate forecasting models and alternate optimization algorithms.
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Machine Learning

Dimensionality Reduction for Robust Federated Learning: A Theoretical Analysis and Convergence Guarantee

Federated Learning (FL) enables multiple clients to collaboratively train models without sharing raw data, but it is highly vulnerable to Byzantine attacks. Existing robust approaches can neutralize these threats but incur substantial computational overhead during high-dimensional gradient aggregation, an overhead that scales poorly with model size and increasingly dominates the training cost as modern models grow larger. To address this computational bottleneck, we propose Projected Dimensionality Reduction (PDR), a universal acceleration framework for vector-level distance-based robust aggregators, which performs robust aggregation by compressing gradients into a drastically smaller subspace via sparse random projection to efficiently compute reliability weights. This approach reduces the server computational complexity to an optimal $ \mathcal{O}(Mp) $, where $ M $ is the number of clients and $ p $ is the model dimension, matching the theoretical lower bound required merely to read the gradients. We establish convergence guarantees under standard FL assumptions in prior Byzantine-robust FL analyses. By leveraging the Subspace Embedding Theorem, we show that PDR achieves optimal convergence rates of $ \mathcal{O}(1/\sqrt{T}) $ for non-convex functions and $ \mathcal{O}(1/T) $ for strongly convex functions, where $ T $ denotes the number of iterations. Crucially, we mathematically demonstrate that this massive acceleration comes almost for free, merely inflating the inherent Byzantine error floor by a bounded, tunable factor of $ \frac{1+\epsilon}{1-\epsilon} $. Experimental results on benchmark datasets confirm that integrating PDR with existing aggregators yields orders of magnitude speedups in time efficiency while maintaining highly competitive convergence performance.
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All authors Shiyuan Zuo, Jiashuo Li, Rongfei Fan, Han Hu, Jie Xu

Machine Learning

Learning the Error Patterns of Language Models

When generating outputs for domains with specific validity constraints (e.g., a program should compile), LLMs often fail in a small number of focused ways: for example, by using Python function names when generating TypeScript. We observe that these error patterns can be represented using a small number of constraints that can be learned in practice. We propose prefix filters, which are per-domain-and-LLM symbolic functions, as objects to capture the error patterns, Palla as an algorithm to learn prefix filters efficiently in practice, and implement Palla. Prefix filters learned by Palla i) help us quantitatively analyze the error patterns of LLMs, and ii) can be used to constrain the outputs of a model via constrained sampling algorithms. For example, Palla boosts compile rates for Qwen2.5-1.5B on TypeScript generation, by over 60%, allowing Qwen2.5-1.5B to achieve similar performance to Llama3.1-8B unconstrained.
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Machine Learning · Cross-listed from stat.ML

Insurance Pricing Optimization via Off-Policy Evaluation

Traditional insurance pricing relies on risk-based principles that ensure actuarial fairness and solvency but do not explicitly account for policyholders' price sensitivity. We formulate insurance pricing as a decision-making problem and study it using tools from off-policy evaluation and stochastic control. We propose a kernelized inverse propensity score estimator that exploits local structure in the action space and yields variance reduction compared to the classical inverse propensity score estimator. Building on these value estimates, we investigate policy optimization and present two practical approaches for computing optimal pricing rules: an interpretable data-shared Lasso formulation and a flexible policy parameterization based on neural networks. Using a controlled synthetic travel insurance environment, we empirically confirm the theoretical results and show that neural networks outperform existing techniques for policy optimization.
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Machine Learning

Hybrid Neural World Models

Neural surrogates promise large speedups over classical solvers for physical dynamics but fail silently at sharp dynamical events such as shocks, fronts, and contact. We present hybrid neural world models for physical dynamics: a recipe for training and deploying multi-horizon surrogates in physical state space, where a single network with continuous horizon conditioning is trained with direct supervision against textbook reference solvers to predict any future state at horizon T in one forward pass. Although no part of the training data, loss function, or architecture supervises discontinuity location, the trained surrogate encodes it implicitly, recoverable from its forward passes alone as a per-trajectory error map that concentrates on shocks, fronts, and contacts, and stays small elsewhere. The map is competitive with or better than standard label-free baselines including deep ensembles, learned error heads, gradient-magnitude indicators, and locally-adaptive conformal prediction, while using only a single trained network and requiring no calibration set or governing-equation knowledge. The recipe supports two operating points. Mode 1 runs the surrogate alone for maximum throughput, with same-hardware CPU speedups of 26x to 72x against textbook solvers on the PDE environments. Mode 2 uses the error map to gate a reference-solver fallback, deferring uncertain trajectories and roughly halving the surrogate's residual error at the default operating point. The recipe applies without modification across reaction-diffusion, compressible Euler, and rigid-body collision dynamics.
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Machine Learning

Learning to Assess the Reliability of Number-of-Runs Estimation in Stochastic Optimization

In large-scale benchmarking of stochastic optimization algorithms, the key challenge is no longer whether repeated runs are needed for reliability, but how to determine when sufficient evidence has been collected without incurring unnecessary computational cost. We study a learning-based extension of a recent empirical online heuristic that adaptively estimates the required number of runs using outlier handling and skewness-based symmetry checks. Using annotated outcomes from 132{,}000 Nevergrad runs on COCO (24 problems in 20 dimensions, 10 instances each, 11 optimizers), we train classifiers on 23 statistical, energy-free, and shape and stability features to predict whether a run-number estimate is reliable, prioritizing detection of incorrect estimates via minority-class recall. We evaluate reliability prediction using a within-configuration learning setup, where models are trained and tested on data sharing the same optimizer. The results show that run-number reliability can be learned in a within-configuration scenario, enabling detection of unreliable estimates with high minority-class recall, although performance remains limited by the restricted data diversity within fixed configurations.
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Machine Learning

Compositional Generalization in Autoregressive Models via Logit Composition

Composing autoregressive models remains a core challenge in understanding how large language models can combine behaviors or skills learned across tasks. We introduce a new and principled composition strategy for autoregressive systems, inspired by composition methods developed for diffusion models. Under a factorized-conditionals assumption, we show that the resulting composition is projective: each component model preserves control over its own designated subspace of the output distribution avoiding interference between models. This property is further preserved under smooth reparameterizations of the output space, yielding a feature-space theorem. Finally, we show that composition preserves length-generalizing behavior when the factorization assumptions and component guarantees hold uniformly at the target length. These results provide a principled understanding of when model composition and merging succeed in autoregressive systems and identify conditions under which their interactions remain stable.
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Machine Learning

How Far Can Disaggregation Go? A Design-Space Exploration of Attention-FFN Disaggregation for Efficient MoE LLM Serving

Modern large language model (LLM) inference has progressively disaggregated to keep pace with growing model sizes and tight TTFT and TPOT service-level objectives: from chunked-prefill aggregation, to prefill-decode (P/D) disaggregation, and most recently to operator-level Attention-FFN Disaggregation (AFD). This trend is especially important for mixture-of-experts (MoE) models, where memory-bound attention, compute-intensive expert FFNs, and MoE dispatch/combine communication create distinct resource demands. AFD further exposes this heterogeneity by placing attention and MoE-FFN execution on separate GPU groups. Each level of disaggregation deepens the scheduling design space across workload characteristics, resource allocation, and interconnect topology, raising the central question: when does each level actually pay off? We systematically characterize this trade-off for MoE inference across realistic workloads spanning input/output sequence lengths, prefix-KV reuse, and per-user latency constraints. Using chunked-prefill and P/D disaggregation as baselines, we study the benefits and limits of AFD at scale through a framework that fuses on-device kernel measurements with high-fidelity network simulation. Under strict TTFT/TPOT SLOs, AFD sustains around 4k tokens/s of system throughput on DeepSeek-V3.2 across chat, coding, and agentic-coding workloads, where non-AFD deployments are infeasible. We distill concrete takeaways for jointly optimizing throughput and interactivity, including how to partition attention and FFN across GPUs as a function of workload and model architecture, providing design principles for current rack- and cluster-scale deployments as well as future disaggregated AI infrastructure.
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All authors Hanjiang Wu, Abhimanyu Rajeshkumar Bambhaniya, Sarbartha Banerjee, Tuhin Khare, Sudarshan Srinivasan, Suvinay Subramanian, Souvik Kundu, Madhu Kumar, Midhilesh Elavazhagan, William Won, Amir Yazdanbakhsh, Tushar Krishna

Machine Learning

T-GINEE: A Tensor-Based Multilayer Graph Representation Learning

Traditional network analysis focuses on single-layer networks, real-world systems often form multilayer networks with multiple relationship types. However, existing methods typically fail to capture complex inter-layer dependencies by treating layers independently or aggregating them. To address this, we propose T-GINEE (Tensor-Based Generalized Multilayer-graph Estimating Equation), a statistical regularization framework combining tensor-based generalized estimating equations with task-specific loss to model cross-network correlations explicitly. Key innovations include: (1) CP tensor decomposition capturing structural dependencies via shared latent factors; (2) a generalized estimating equation framework modeling inter-layer correlations through working covariance matrices; and (3) a flexible link function accommodating characteristics like sparsity. Our theoretical analysis establishes consistency and asymptotic normality under mild conditions. Extensive experiments on synthetic and real-world datasets validate T-GINEE's effectiveness for multilayer network analysis.
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All authors Maolin Wang, Ziting Mai, Xuhui Chen, Zhiqi Li, Tianshuo Wei, Yutian Xiao, Wenlin Zhang, Wanyu Wang, Ruocheng Guo, Haoxuan Li, Zenglin Xu, Xiangyu Zhao

Machine Learning

Machine Learning methods for event classification and vertex reconstruction of the 12C + 12C reaction with the MATE-TPC

In modern nuclear physics experiments, identifying events of interest is challenging for nuclear reaction studies with the active target Time Projection Chamber (TPC). In this work, machine learning techniques are employed to analyze the complex data of the 12C + 12C fusion reaction from a TPC named MATE (multi-purpose active-target time projection chamber for nuclear experiments). Specifically, we successfully applied Residual Neural Network (ResNet-50, ResNet-34 and ResNet-18) and Visual Geometry Group (VGG-19) to classify elastic scattering and fusion reaction events from the 12C + 12C reaction. The classification results of the four models are nearly identical, with accuracies of approximately 97% for the simulated data and 90% for the experimental data. Moreover, these approaches successfully identify some events that are misclassified by traditional methods. These models are also applied to classify events from different fusion reaction channels, with classification accuracies of approximately 95% on simulated data. In addition, a Convolutional Neural Network (CNN) model is developed to reconstruct the reaction vertex, providing an alternative strategy for vertex reconstruction. These results indicate that machine learning techniques can effectively classify reaction events from different channels and reconstruct the reaction vertex, thereby paving the way for future analyses of complex nuclear reaction data.
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All authors Minghui Zhang, Xiaobin Li, Jie Chen, Ningtao Zhang, Fenhua Lu, Junrui Ma, Jiazhen Yan, Wanqin Tu, Xiaodong Tang, Bingshui Gao, Chengui Lu, Zhichao Zhang, Jinlong Zhang, Weiping Liu

Machine Learning · Cross-listed from cs.AI

Diversifying RLVR Rollouts via First-Token Exploration

Reinforcement learning with verifiable rewards (RLVR) trains reasoning models without labeled trajectories, using groups of verifier-scored rollouts to explore alternative reasoning paths. Limited rollout diversity is a central bottleneck, typically addressed through adjustments to temperature, prefixes, or rollout selection. We identify the first token of the response as a structurally distinct target for diversification, largely overlooked in prior work. We find that the first-token distribution is sharply concentrated and only weakly related to downstream correctness, as lower-probability candidates can yield similarly accurate responses. Diversifying the first token can therefore broaden the reasoning paths explored within each rollout group with little loss in response quality. Motivated by this observation, we introduce REFT (Rollout Exploration with First-Token Diversification), a lightweight modification to RLVR. REFT samples first tokens uniformly from the policy's top-$N$ candidates and allocates rollouts evenly across the sampled tokens, leaving the rest of the pipeline unchanged. We evaluate REFT on eight models spanning multiple architectures and sizes (0.5B-14B), with mathematical reasoning and code-generation tasks under GRPO and DAPO. Across these settings, REFT consistently improves Pass@1, Pass@8, and Pass@64. It also outperforms competing diversification methods at every evaluated budget, incurring the lowest rollout cost.
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Machine Learning

ProRL: Effective Reinforcement Learning for Proactive Recommendation via Rectified Policy Gradient Estimation

Proactive Recommender Systems (PRSs) aim to guide user preference shift toward target items by generating paths of intermediate recommendations. Reinforcement learning (RL) provides a principled framework for optimizing such sequential decision tasks, as path rewards can naturally capture both short-term acceptance and long-term guidance effectiveness. However, naively applying policy gradients to PRS results in deficient gradient estimation. We identify two deficiencies: (1) path-level rewards decompose into step-level rewards with positive mean, creating a length-dependent bias that causes gradients to favor path extension over meaningful exploration; (2) weighting each step by the entire path-level reward ignores the decomposition structure, leading to high gradient variance. To rectify these two deficiencies, we propose an effective RL framework ProRL with two novel mechanisms for proactive recommendation. First, Stepwise Reward Centering subtracts expected rewards to neutralize length-dependent bias, ensuring that path extension yields zero expected gradient signal. Second, Position-Specific Advantage Estimation leverages the reward decomposition structure to compute step-dependent baselines, reducing gradient variance. Together, these mechanisms yield policy gradients that precisely target path quality. Our experiments on three real-world datasets demonstrate that ProRL significantly outperforms state-of-the-art PRSs. Our code is available at https://github.com/hongruhou89/ProRL.
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All authors Hongru Hou, Tiehua Mei, Denghui Geng, Jinhui Huang, Ao Xu, Hengrui Chen, Jiaqing Liang, Deqing Yang

Machine Learning

Adaptive Bandit Algorithms for Contextual Matching Markets

We study bandit learning in matching markets, where players and arms constitute the two market sides, and the players' utilities are linear in the arm contexts. In each round, new arms arrive with observable contexts. Then, the algorithm matches them to players, aiming to minimize each player's regret against a stable matching benchmark. This contextual structure creates significant complexity: subtle context shifts can slightly alter one player's utility while completely reconfiguring the underlying benchmark, causing large regret spikes for others. We address this in two settings: stochastic contexts, drawn from a latent distribution, and adversarial contexts, which may be arbitrary. For the stochastic case, we introduce a novel minimum preference gap to capture learning difficulty and provide a fully adaptive algorithm with an instance-dependent poly-logarithmic regret upper bound. We also establish matching instance-independent regret upper and lower bounds under a mild distributional assumption. For the adversarial setting, we propose a tractable regret notion that remains valid under arbitrary contexts and achieves an instance-independent sublinear regret bound via an adaptive algorithm.
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All authors Shiyun Lin, Simon Mauras, Vianney Perchet, Nadav Merlis

Machine Learning

AtomComposer: Discovering Chemical Space from First Principles with Reinforcement Learning

Discovering novel stable molecules without training data remains a grand scientific challenge. Current molecular generative models are trained on large, pre-curated datasets, which introduce biases and limit exploration of novel chemistry. In contrast, we propose a new paradigm: autonomous, generalized agents capable of mapping vast, unknown chemical spaces without any pretraining. For the first time, we present AtomComposer, a self-guided agent that autonomously constructs valid 3D isomers under stoichiometric constraints and is trained exclusively online using reinforcement learning. Unlike existing approaches that generally overfit to a specific chemical formula, we establish a multi-composition training scheme that enables a broad generalization across diverse chemistry, guided by energy- and validity-based rewards. Our agent can discover up to an order of magnitude more valid isomers on unseen test formulas than existing single-composition reinforcement-learning baselines trained with per-step energy rewards. These results fulfill the promise of online reinforcement learning as a powerful paradigm for scalable, from-scratch exploration of chemical configuration space.
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All authors Bjarke Hastrup, Francois Cornet, Tejs Vegge, Arghya Bhowmik

Machine Learning

Commit to the Bit: Reactive Reinforcement Learning Done Right

Reinforcement learning algorithms are commonly analyzed (and designed) under the Markov assumption. This is unrealistic, as most environments encountered in practice are either partially observable, or require function approximation that restricts the agent to access non-Markovian state features. We consider the problem of learning an optimal reactive policy in a finite environment with deterministic observations (or equivalently, hard state aggregation). We introduce a new algorithm, Committed Q-learning, and prove almost-sure convergence to the optimal reactive policy under an intuitive assumption we call rewire-robustness. This assumption is strictly weaker than the $q_\star$-realizability condition used in prior work. Our algorithm is a variant of classical Q-learning in which the behavior policy commits to a single action upon entering a feature, and only resamples actions when the observed feature changes. A crucial part of our analysis is the introduction of quasi-Markov environments.
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Machine Learning

Dynamic Topic Modeling with a Higher-Order Hypergraphical Representation

Dynamic topic modeling is widely used to analyze evolving trends in scientific literature, medical records, and social media. Traditional topic models represent each topic through a single probability vector on the multinomial simplex and implicitly couple word occurrence and repetition within one probabilistic mechanism. However, this formulation restricts the dependence structure among words and overlooks informative higher-order interactions, particularly in dynamic corpora with overlapping semantics. To address these limitations, we introduce a hypergraph representation of text where each document is modeled as a hyperedge connecting all co-occurring words, with repetition intensities encoded as node weights. This representation naturally separates word occurrence from repetition and induces a novel hypergraph-based multinomial distribution with a nonlinear normalization depending on the observed word set of each document. Building on this likelihood, we develop a dynamic topic modeling framework via structured low-rank factorizations with explicit temporal regularization on topic-word profiles. Moreover, we establish local convergence guarantees and derive non-asymptotic error bounds despite the intrinsic nonconvexity induced by bilinear factorization and document-specific nonlinear normalization. Numerical experiments on synthetic data and an application to the International Conference on Learning Representations (ICLR) corpus demonstrate consistent improvements over existing multinomial-based topic models.
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All authors Hanjia Gao, Hanwen Ye, Qing Nie, Annie Qu

Machine Learning

Parameter-Efficient Generative Modeling with Controlled Vector Fields

We introduce a continuous-time generative modeling framework, motivated by the Chow-Rashevskii theorem, that builds expressive flows from a small set of fixed vector fields and learned scalar controls. Instead of learning an unconstrained high-dimensional vector field, our framework constructs the velocity by modulating fixed vector fields with learned scalar control functions. When the fixed fields are bracket-generating, their Lie algebra spans the ambient space, providing a mechanism for expressive transport with only a small number of learned control channels and offering a parameter-efficient geometric alternative to standard vector-field parameterizations. This decoupled formulation yields a structured and interpretable generative model in which the number of learned scalar output channels can be chosen independently of the ambient dimension. We formulate an expressivity principle showing that, under suitable controllability and well-posedness assumptions, such controlled flows can transport a source distribution to a target distribution. We train the resulting model using a continuous-normalizing-flow likelihood objective and present proof-of-concept experiments on synthetic distributions.
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Machine Learning · Cross-listed from stat.ML

Counterfactually Fair Regression via Optimal Transport

We consider the problem of learning a counterfactually fair regressor. We adopt a causal uncertainty view in which counterfactual fairness is defined with resampled noise. We focus on obtaining theoretical fairness guarantees for a new post-processing estimator. We begin by showing that counterfactual fairness is equivalent to satisfying demographic parity conditional on the latent variable. This allows us to provide a closed-form expression of the optimal fair regressor via a barycentric quantile map. In order to handle continuous latent variables, we propose a discretized post-processing method. Then, under mild regularity assumptions, we prove high-probability finite-sample fairness guarantees for our estimator, providing an unfairness decay at rate $\tilde O(n^{-1/3})$, and establishing a matching risk bound of order $\tilde O(n^{-1/3})$. We provide a matching lower bound on the excess risk of almost fair predictions. Finally, we extend our results to the setting of relaxed counterfactual fairness. We validate our approach on real-world and synthetic data.
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All authors M. Generali Lince, S. Gaucher, J-J. Vie, P. Loiseau

Machine Learning

IRDS: Interpretable RLVR Data Selection via Verifier-Coupled Sparse Autoencoder Coverage

Reinforcement learning with verifiable rewards (RLVR) has become a key technique for en- hancing LLM reasoning, yet its data ineffi- ciency remains a major bottleneck. Existing methods address this problem only partially, each missing at least one of subset-level cov- erage, verifier signal use, or interpretability. To address this gap, we present IRDS (Inter- pretable RLVR Data Selection), which selects RLVR training instances on a sparse autoen- coder (SAE) cluster basis so the selection itself is auditable on recognizable problem motifs. To select instances the model both fails on and can still learn from, we introduce a verifier- coupled coverage objective on the SAE basis and solve it by greedy log-determinant max- imization. Experiments on three instruction- tuned models and six math reasoning bench- marks show that IRDS achieves the highest overall accuracy, exceeding the strongest base- line by +3.9/+4.0 pp on the two Qwen models and by +0.5 pp on Llama-3.1-8B, while run- ning an order of magnitude cheaper than the trajectory-based baseline.
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All authors Yuhan Li, Mingxu Zhang, Dazhong Shen, Ying Sun

Machine Learning · Cross-listed from stat.ML

Geometry of Relaxed Fair Regression: A Unified Framework for Aware and Unaware Settings

Fairness-accuracy trade-offs are a central concern in the deployment of fairness-aware machine learning methods. When sensitive attributes are unavailable at inference time-the so called unawareness setting, principled methods for obtaining accurate predictions under relaxed fairness constraints are largely missing. In this work, we address this gap by formulating regression under a demographic parity penalty as an optimal transport problem. Our framework, unifies both the aware and unaware settings and characterizes optimal prediction functions via optimal transport maps, under both squared Wasserstein-2 and Total Variation penalties. These results reveal that the choice of penalty reflects fundamentally different fairness philosophies: the Wasserstein penalty induces a smooth, population-wide compromise, while Total Variation enforces parity for a subset of individuals. Building on these theoretical characterizations, we propose FAUST, an algorithm that is simple to implement, computationally efficient, and consistently matches or outperforms state-of-the-art baselines on real-world benchmarks.
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All authors Marie Generali Lince, Vincent Divol, Rémi Flamary, Solenne Gaucher, Patrick Loiseau

Machine Learning · Cross-listed from cs.RO

ProgVLA: Progress-Aware Robot Manipulation Skill Learning

We present ProgVLA, a compact vision-language-action (VLA) model designed for reliable robot manipulation under tight compute and memory budgets. The model specifically focuses on efficiently processing long multi-modal sequences by maintaining an explicit representation of task progress over extended horizons. To this end, ProgVLA integrates two key components. First, a multi-modal encoder with a two-stage Perceiver resampling scheme compresses variable-length visual, language, and proprioceptive streams into a fixed set of control-ready context tokens, substantially reducing sequence length while preserving cross-modal grounding. Second, an auxiliary set of progress heads is trained with offline reinforcement learning (RL) objectives to jointly learn critics over normalized remaining-horizon targets. This provides the policy with an internal estimate of task progress and enables advantage- and success-weighted flow-matching imitation learning. On two well-established multi-task robot manipulation benchmarks, a 0.1B-parameter ProgVLA model reaches success rates that are competitive with, and on long-horizon and harder task tiers exceed, substantially larger pretrained baselines. Ablations indicate that the learned context resampler and task-adaptive visual fine-tuning are the largest single contributors, while progress-aware training provides a consistent additional gain that is concentrated on long-horizon and multi-object tasks. We further validate the approach in real-world toy-kitchen environments.
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All authors Seungsu Kim, Jinyoung Choi, Seungmin Baek, Jean-Michel Renders

Machine Learning

PhAME: Phenotype-Aware Molecular Editing via Latent Diffusion

Small-molecule drug discovery requires simultaneous optimization of numerous properties of candidate molecules. These properties can be investigated through the analysis of high-dimensional biological signatures, such as cell morphology and transcriptomic perturbations, which provide a rich perspective on the underlying biological mechanisms. However, existing generative methods, which use those signatures for optimization, fail to meet two key requirements: providing precise guidance toward desired phenotypic signatures while maintaining structural proximity to a known hit. We introduce PhAME (Phenotype-Aware Molecular Editing), a latent diffusion framework that overcomes this challenge by recasting molecular optimization as editing in the latent space of a pretrained graph-based VAE. Our central contribution is a compositional classifier-free guidance scheme with two independent scales, one for the phenotype-conditioning and one for similarity to the seed structure, allowing practitioners to control the tradeoff between these two objectives. Empirical evaluations across diverse benchmarks, including docking score optimization and multimodal phenotypic generation, demonstrate that PhAME achieves state-of-the-art results while maintaining high chemical validity and novelty.
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All authors Łukasz Janisiów, Sebastian Musiał, Bartosz Zieliński, Dawid Rymarczyk, Tomasz Danel

Machine Learning · Cross-listed from cs.CL

Analyzing Quality-Latency-Resource Trade-offs in a Technical Documentation RAG Assistant Using LoRA Adaptation

We study quality-latency-resource trade-offs in a documentation-grounded retrieval-augmented generation (RAG) system that uses Low-Rank Adaptation (LoRA) of the generator. We build a manually verified benchmark of 5,144 question-answer pairs over the official Kubernetes documentation and combine it with a fixed hybrid-retrieval pipeline (BGE-M3 dense, BGE-M3 native sparse, Reciprocal Rank Fusion, cross-encoder reranking). Over this benchmark we ablate 20 LoRA configurations on Llama-3.2-3B-Instruct and Llama-3.1-8B-Instruct across rank and target-module choices, and evaluate each on token-level F1, LLM-judged groundedness and correctness (pass@4), inference latency, inference memory, and training cost, all reported with bootstrap 95% confidence intervals. Pareto analysis shows that LoRA adapters acting only on the q and v attention projections consistently dominate the front, while the 3B/8B choice mainly defines operating regime. A param-matched control comparison further indicates that the q/v advantage is structural rather than purely parametric. The benchmark, selected adapters, and code are available at https://github.com/EugPal/rag-lora-tradeoffs.
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Machine Learning · Cross-listed from cs.HC

SmartIterator: Visual Analytics Workflows for Supervising Unsupervised Data Grouping

Unsupervised learning methods – topic modeling, partition-based and density-based clustering – produce data groupings without human guidance, yet choosing and evaluating those groupings should not itself be unsupervised. We present SmartIterator~(SI), a visual analytics approach that treats the full sequence of grouping results across a parameter sweep as a first-class analytical object. For each method family, SI provides a structured six-phase workflow that guides the analyst through systematic exploration of grouping results – from quality-metric overview through transition-stability assessment, membership-confidence evaluation, content and context inspection, and recurrent-archetype verification to an informed decision – building cumulative understanding of data structure along the way. The workflows are operationalized through IteraScope~(IS), a coordinated visual display combining quality-metric charts with semantic color encoding, a 1D group embedding with Sankey-style transition flows and violin plots of membership confidence, a 2D group embedding with HDBSCAN-detected recurrent archetypes that highlights iterations capturing all persistent patterns, and domain-specific linked views for contextualized interpretation. We demonstrate the three workflows on: (1)~simulated social-media messages from the VAST Challenge 2011 (density-based clustering, validated against ground truth), (2)~EU population statistics across ${\sim}1\,500$ NUTS-3 regions (partition-based clustering), and (3)~30 years of IEEE VIS papers (NMF topic modeling). The workflows constitute the main contribution: they provide actionable, method-specific guidance for navigating parameter spaces, studying how data structure evolves across configurations, and grounding analytical understanding in domain context – yielding knowledge about the data that no single “best” result can provide.
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Machine Learning · Cross-listed from cs.AI

Explaining is Harder Than Predicting Alone: Evaluating Concept-based Explanations of MLLMs as ICL Visual Classifiers

In-context learning (ICL) enables multimodal large language models (MLLMs) to classify images from a few labelled examples. Yet, how these models use the provided context remains opaque. While Chain-of-Thought prompting is widely used, recent work argues that it may not reflect true internal computation. In this paper, we systematically evaluate the concept-based explainability of frozen MLLMs under few-shot ICL using five conditions of increasing formal rigour, ranging from baseline classification to Description Logics (DL) axiom generation. Evaluating four state-of-the-art MLLMs via an independent LLM-as-a-judge pipeline, we demonstrate that explaining is genuinely harder than predicting alone. Surprisingly, forcing models to generate formally structured, concept-based explanations degrades predictive accuracy monotonically (from 93.8% to 90.1%), contradicting the assumption that explicit reasoning universally aids performance. However, when models successfully articulate class-discriminative visual features, explanation quality strongly correlates with correct predictions. Our findings suggest that while MLLMs excel at visual classification, they lack the specific instruction-tuning required for formal, machine-verifiable explainability.
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All authors Carmen Quiles-Ramírez, Leticia L. Rodríguez, Nicolás Martorell, Natalia Díaz-Rodríguez

Machine Learning · Cross-listed from cs.CR

Out of Sight, Not Out of Mind: Unveiling Latent Attack in Latent-based Multi-Agent Systems

Latent-based multi-agent systems replace parts of explicit inter-agent communication with hidden representations, offering a new direction for efficient and flexible agent collaboration. However, moving coordination into latent space may also move attacks beyond the reach of visible-text inspection. In this paper, we study whether latent states can carry attack-associated information that remains effective during clean executions. To examine this question, we introduce a latent attack framework that reactivates attack-induced effects through latent interventions without reusing adversarial text. Extensive experiments show that the resulting latent attacks can substantially degrade task performance in clean executions, especially when applied to inter-agent KV-cache handoffs rather than local hidden states. Further control analyses indicate that this degradation cannot be reduced to arbitrary perturbations or invalid generation. Overall, our findings suggest that latent-based collaboration does not remove attack risk. It shifts part of the risk into less observable execution states, calling for safeguards beyond visible-text inspection.
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All authors Chenxi Wang, Ruiyang Huang, Jiayan Sun, Lei Wei, Yifan Wu

Machine Learning

Robust Contrastive Graph Clustering with Adaptive Local-Global Integration

Graph clustering is essential in graph analysis for revealing structural patterns and node communities. Despite recent advances in self-supervised contrastive learning that have improved clustering via structural and attribute signals, existing methods still struggle to flexibly capture high-order local structures and often overlook global semantics in complex graphs. These limitations lead to suboptimal node representations, especially in real-world graphs with fragmented structures and ambiguous cluster boundaries. To address these limitations, a contrastive graph clustering framework is proposed to jointly integrate multi-scale local structures with global semantics via attention mechanisms. At the local level, GNN-based topological signals extracted from multiple propagation depths are adaptively fused through attention-based weighting to capture multi-scale neighborhood features. At the global level, semantic prototypes derived from dynamically evolving cluster centers are adaptively aggregated through attention to guide node representations and enhance inter-cluster separability. The model is trained under a dual-view contrastive learning paradigm with a hybrid objective that combines instance-level and structure-aware losses to improve representation robustness and discrimination. Experiments on eight real-world graph datasets demonstrate that our method achieves competitive clustering performance. Code is available at https://github.com/vege12138/w2.
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All authors Lei Zhang, Fubo Sun, Haipeng Yang, Zhong Guan, Likang Wu