Machine Learning
SSR: Sparse Segment Reduction for Ternary GEMM Acceleration
Adeline Pittet, Shien Zhu, Valérie Verdan et al. (+1 more)
Large
Language Models (LLMs) require substantial computational resources, limiting their deployment on resource-constrained hardware. Ternary LLMs mitigate these demands through weight quantization via ternary values, achieving significant compression often with 50-90% sparsity. However, existing approaches have limitations: methods optimized for ternary weights, such as BitNet, redundant segment reduction (RSR), and its improved version RSR++, do not exploit sparsity structures, while conventional sparse formats neglect ternary characteristics, foregoing dual optimization opportunities. In this paper, we introduce Sparse Segment Reduction (SSR), a ternary
matrix multiplication method designed to accelerate the inference of ternary LLMs and general Ternary Weight Networks (TWNs). SSR has a dedicated optimized ternary data format and an
algorithm that systematically exploits sparsity patterns through computation trees that scale with the sparsity. SSR provides theoretical gains with asymptotically faster inference than RSR++ for sparsity above 50%, while practical evaluations reveal performance improvements across all sparsity levels. Evaluation results show that SSR achieves 2.1-11.3x speedup over RSR++ on ternary GEMM with 45-95% sparsity. Furthermore, SSR achieves 3.5-6.3x end-to-end speedup and 4.9% of
memory saving over RSR++ on the Llama-3 1B model inference.
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All authors Adeline Pittet, Shien Zhu, Valérie Verdan, Gustavo Alonso
Machine Learning
VETTA: Coordinating Turn- and Token-Level Credit Assignment for Multi-Turn LLM Agents
Jiaju Chen, Min Yang, Jinghua Piao et al. (+4 more)
Multi-turn LLM
agents often receive sparse task feedback across several interactions, while generating each response
token by
token. This creates two related credit-assignment questions: which responses helped achieve the outcome, and which generation decisions mattered within each response? Existing methods typically focus on only one level: turn-level methods evaluate complete responses but do not distinguish the decisions within them;
token-level methods can propagate feedback across turns but do not explicitly model credit for each response. These complementary limitations motivate learning credit at both levels and coordinating it in a single policy update. We introduce VETTA, a credit assignment method that jointly learns turn- and
token-level values through separate heads on a shared lightweight critic. VETTA computes advantages along both temporal sequences and combines each turn advantage with a within-response-centered
token residual for PPO updates. Furthermore, to reduce value-learning cost, the critic retains only early
Transformer blocks from the pretrained checkpoint used to initialize the actor. On two challenging
agent benchmarks, ALFWorld and WebShop, VETTA improves success rates over PPO by 37.5% and 22.3%, respectively, with Qwen2.5-1.5B-Instruct and achieves success rates of 95.5% and 76.0%, respectively, with Qwen2.5-7B-Instruct. Critic-depth comparisons further show strong task performance with substantially lower critic-side computation. These results suggest that a compact shared critic can coordinate turn- and
token-level credit to improve
agent performance while keeping value estimation efficient. Code is available at https://github.com/Jiaju-Chen/VETTA-official.
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All authors Jiaju Chen, Min Yang, Jinghua Piao, Xiaochong Lan, Xu Xia, Xiangnan He, Yong Li
Machine Learning
Atom-JEPA: Joint-Embedding Predictive Architecture for 3D Atomistic Systems
Kasper Helverskov Petersen, Rasmus Hannibal Tirsgaard, François R J Cornet et al. (+2 more)
Large-scale self-supervised pretraining has reshaped modern machine learning, substantially advancing the ability of
language and
vision models to generalize across downstream tasks. While deep learning has driven considerable progress in modeling atomistic systems in recent years, self-supervised pretraining in this domain has not yet achieved comparable downstream generalization. To address this, we introduce Atom-JEPA, a self-supervised pretraining framework that learns latent representations from unlabeled 3D structures through complementary atom-level and substructure-level objectives inspired by joint-
embedding predictive architectures. We pretrain Atom-JEPA on large-scale molecular and crystalline
datasets and evaluate its transfer performance by fine-tuning on a diverse set of downstream property prediction tasks. Atom-JEPA achieves state-of-the-art performance on molecular ADMET and
quantum-chemical property prediction tasks, and is highly competitive in predicting the physical properties of crystalline materials. These results demonstrate the potential of latent-space predictive pretraining to support broad downstream generalization from structural data alone. Code and pretrained model checkpoints are publicly available at https://github.com/khelverskovp/atom-jepa
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All authors Kasper Helverskov Petersen, Rasmus Hannibal Tirsgaard, François R J Cornet, Mikkel Jordahn, Mikkel N. Schmidt
Machine Learning
Decision-Focused Learning in MDPs: An Occupancy Measure Approach
Zihao Zhao, Ashwath K. Karunakaram, Ali Eshragh et al. (+2 more)
In this work, we consider decision-focused learning (DFL) for a Markov decision process (MDP), where existing methods differentiate through the KKT conditions of the Bellman equation and require solving a linear system over all state-action pairs, limiting its scalability. We address this by reformulating the MDP as an occupancy measure-based linear program (LP), whose feasible region is induced by predicted dynamics, and we derive a closed-form gradient by identifying the active constraints in the feasible polyhedron via the pivoting
algorithm. This occupancy measure-based LP layer raises two challenges: (1) LP's solution gradient is discontinuous when active constraints change, and (2) the LP backward cost still scales with the state size, which is costly for large or continuous state spaces. We address the challenges with an augmented Lagrangian surrogate and smooth the boundary jumps by random row sketching of the constraints, and a learnable soft state-aggregation layer and its function-approximation generalization that scales the LP to large finite and continuous-state MDPs. Across multiple tasks, our methods reach lower regret than KKT-based DFL and two-stage baselines with significantly lower computation cost. The source code for all experiments is available at https://github.com/A-Eshragh/State_Aggregation_Project.
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All authors Zihao Zhao, Ashwath K. Karunakaram, Ali Eshragh, Yuexing Li, Kai Wang
Machine Learning
Accelerating the Development of PLGA In Situ Forming Depots Through AI-Driven Multi-Objective Optimization
Pauric Bannigan, Siddarth Chandrasekaran, Brigitte A. G. Lamers et al. (+6 more)
Developing long-acting injectable formulations requires the simultaneous optimization of drug loading, release kinetics, viscosity, injectability, stability and other objectives. To navigate this multidimensional space, Corbion and Intrepid combined Corbion's diverse PURASORB bioresorbable
polymer library with Intrepid Labs' proprietary AI
algorithm (ANDROMEDA 1) to develop in situ forming depots for a therapeutic peptide. Over approximately 15 weeks, 181 unique formulations spanning drug loadings of 6-12% w/w were prepared and characterized through broad design-space mapping and targeted multi-objective optimization. Four lead candidate formulations were identified at 6%, 9%, and 12% w/w drug loading. Each met the predefined viscosity and injectability criteria while providing distinct 30-day in vitro release profiles. The study evaluated
polymers spanning a broad range of molecular weights, including commercially available PURASORB grades and new
polymers under development by Corbion to expand its
polymer toolbox. ANDROMEDA 1 identified that
polymers with intermediate molecular weights provided a favorable balance between sustained release and solution viscosity. Together, these findings demonstrate how integrated
polymer expertise and AI-driven optimization can rapidly identify differentiated formulation candidates, focus the development space, and establish a strong data-driven foundation for further optimization and in vivo evaluation.
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All authors Pauric Bannigan, Siddarth Chandrasekaran, Brigitte A. G. Lamers, Inge Hermsen, Gary Tom, Riley J. Hickman, Bahar Yeniad, Morgan Fox, Christine Allen
Machine Learning
Evolutionary One-Step Generators: Fast and Diverse Sampling for Discrete Design
Marcus Vukojevic, Erik Nielsen, Veronica Lachi et al. (+2 more)
Several discrete design tasks, such as molecular discovery, require diverse collections of useful candidates at low computational cost. High validity alone does not guarantee a useful candidate library: repeatedly generating the same valid structures leaves few distinct alternatives. Training for both feasibility and diversity is challenging because many relevant criteria can only be evaluated after hard decoding. To address this challenge, we propose EGO (Evolutionary Generators with One-step inference), a framework for training compact generators directly on discrete outputs. The method combines distribution matching with structural constraints and optional diversity or history-dependent rewards, using antithetic low-rank
evolution strategies without requiring criterion-specific differentiable surrogates. Once trained, the generator produces the entire graph in a single neural-network evaluation. On molecular generation
benchmarks, our compact generator achieves over $50\times$ the valid-and-unique yield per estimated dense operation compared to recent one-step flow-map baselines while retaining high chemical validity. In scaffold completion, EGO achieves an observed $44.3\times$ speedup over MoLeR in generation to SMILES and produces approximately $10\times$ as many filter-passing proposals within matched time budgets for generation and screening. Beyond chemistry, EGO produces $1.54\times$ as many distinct held-out elite architectures as relaxed gradient training on NAS-Bench-101. The low generation cost may enable real-time candidate generation across discrete design tasks, supporting interactive exploration of constrained design spaces and rapid construction of candidate sets for downstream evaluation.
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All authors Marcus Vukojevic, Erik Nielsen, Veronica Lachi, Andrea Passerini, Giovanni Iacca
Machine Learning
Sensor Geometry as a Flow-Matching Prior for Multi-Channel Brain Signals
Jaedong Hwang
Flow-matching models start from an isotropic Gaussian source, the standard choice when the correlation structure of the data is unknown in advance. For multi-channel
brain recordings, however, part of this structure is known in advance. Electrodes sit at fixed positions on the head, and volume conduction through the skull and scalp makes nearby electrodes co-vary in a way that is shared across subjects. Existing
EEG generative models nonetheless leave the network to learn this from scratch. We put this structure into the source instead. From the sensor coordinates alone, we build a k-nearest-neighbor graph and take a graph-Matérn function of its
Laplacian as the source covariance, so the flow starts from spatially coherent patterns rather than channel-independent noise. The change adds no learned parameters, works with any coupling and any drift network, and uses the same three hyperparameters on every
dataset. Across eight
EEG datasets and four flow-matching methods, the graph-Matérn source lowers the spectral discrepancy between generated and real signals in the five clinical bands (PSD-KL) on most
datasets. PSD-KL falls by 12% to 17% in
geometric mean over
datasets depending on the method and by up to 40% on PhysioNet-MI, the densest montage. We show that the improvement stems from the spatial eigenvectors of the local graph of sensor positions, since randomizing the eigenvectors while preserving the
eigenvalue spectrum eliminates the gain. Furthermore, a prior fitted directly to the empirical data covariance performs worse than isotropic noise. The same construction applies unchanged to MEG, intracranial
EEG with patient-specific grids, and a traffic-sensor network, lowering PSD-KL for every method on each. https://jd730.github.io/projects/GraphPrior
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Machine Learning
Uncertainty Quantification Is Indispensable for Reliable Connectome-Based Graph Learning: A Narrative Review and Case Study
Mansooreh Pakravan
While graph neural networks (GNNs) have shown substantial promise in connectome-based diagnostic classification, deterministic models inevitably suppress pipeline-induced noise and model ambiguities, yielding overconfident predictions. Although uncertainty quantification (UQ) is widely adopted in voxel-level segmentation, its role in connectomic graph learning remains largely unaddressed. This paper presents a comprehensive narrative review of UQ frameworks tailored to connectome graph learning alongside an empirical case study demonstrating the perils of uncalibrated predictions. We delineate sources of aleatoric and epistemic uncertainty across neuroimaging pipelines and review prominent UQ paradigms, from
Bayesian approximations and ensemble methods to evidential learning and conformal prediction. In our case study, a temporal Graph
Attention Network (GAT) trained on dynamic functional connectivity (dFC)
matrices from the SUDMEX CONN
dataset achieves 80.0% diagnostic accuracy (F1 = 0.794) for Cocaine Use Disorder. However, a post-hoc uncertainty audit via Monte Carlo dropout reveals severe overconfidence (ECE = 0.127), with misclassified subjects assigned prediction confidences up to 95%. This empirical divergence between discrimination and calibration underscores the confidence paradox in deep connectomics. Our findings establish that rigorous UQ, calibration, and selective prediction mechanisms are indispensable for deploying trustworthy graph-based biomarkers in clinical neuroscience.
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Machine Learning · Cross-listed from stat.ML
High-Dimensional Statistical Inference for Sparse Support Vector Machines
Peng Zeng and Hanwen Huang
Using a replica-symmetric high-dimensional characterization, we develop an inferential framework for sparse support vector machines when the sample size and number of features grow proportionally. The main challenge is the nonsmooth hinge loss, which prevents direct application of debiasing arguments developed for smooth classification losses. We overcome this difficulty by representing the $L_1$-penalized support vector machine (SVM) as a linear program and identifying the hinge-loss subgradient through its dual variables. This yields a computationally accessible debiased
estimator whose coordinates are asymptotically Gaussian under the proportional asymptotic regime. The resulting distributional characterization provides confidence intervals and hypothesis tests for individual features and enables false-discovery-rate-controlled variable selection. Extensive simulations examine calibration, power, and variable-selection performance under a range of covariance structures, including strongly correlated designs. An analysis of high-dimensional breast cancer gene-expression data illustrates how the proposed inference can distinguish statistically significant features from variables selected by the original sparse SVM.
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Machine Learning · Cross-listed from cs.CV
DIPrune: Task-Aware Token Pruning with Dual Importance for Efficient Multimodal Language Models
Shuo Yang, Changbai Li, Linlin Yang et al. (+6 more)
Recent training-free
pruning approaches for
Multimodal Large
Language Models (MLLMs) effectively cut computational overhead by exploiting visual redundancy or text-
vision attention. However, they frequently suffer from semantic degradation due to their task-agnostic design or unreliable
attention estimates. Based on our empirical analysis, we have found that this issue arises because salient
tokens in shallow layers persistently suppress emerging semantic ones through numerical inertia, leading to premature discarding of signals crucial for deep
reasoning. To address the aforementioned issue, from the task-oriented aspects, we first reformulate training-free
pruning as a minimization of the distortion in the final task loss and derive a tractable,
token-wise upper bound to serve as a surrogate objective. Specifically, this formulation inherently reveals a previously neglected inter-layer term that accounts for gradients across layers. Accordingly, for the implementation, we propose DIPrune, a rank-based framework that employs a dual importance scoring mechanism to jointly optimize intra-layer static feature saliency and inter-layer dynamic semantic
evolution. Extensive experiments on LLaVA and Qwen-VL demonstrate that DIPrune consistently achieves state-of-the-art results.
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All authors Shuo Yang, Changbai Li, Linlin Yang, Huobin Tan, Rongyu Chen, Tongfei Chen, Tian Wang, Sheng Xu, Baochang Zhang
Machine Learning · Cross-listed from eess.SY
Machine Learning for German Redispatch Forecasting under Data Delays and Temporal Distribution Shift
Faraz Shamim and Faris Shamim
Public redispatch records provide empirical data for grid congestion forecasting, but delayed reporting, zero-inflated distributions, and temporal shift present major modeling challenges. We assess the accuracy and reliability of probabilistic machine-learning forecasts using published German transmission records under experimentally imposed information-age constraints. The
benchmark evaluates eight daily series of upward and downward intervention energy across four German transmission system operators from 2021 to 2024 (48,242 eligible records; 354 evaluation dates in 2024). We compare seasonal empirical, regularized autoregressive (ARX),
quantile LightGBM, GRU, and
Transformer models under a minimum seven-day target-latency constraint. Neural architectures use a zero-censored output head to accommodate exact-zero outcomes. Static, rolling, and adaptive delayed-feedback calibration are evaluated using normalized weighted interval score (nWIS), empirical coverage, and block-bootstrap inference. Raw LightGBM achieved nWIS 0.7952, outperforming ARX (1.0604) and the seasonal baseline (0.8739) by 25.0% and 9.0%, respectively (Holm-adjusted p<0.005). Rolling calibration improved LightGBM to nWIS 0.7767 versus 0.8251 for static calibration (p=0.0092), with 91.81% coverage for nominal 90% intervals. The zero-censored
Transformer achieved nWIS 0.8161, with no significant difference from LightGBM (p=0.260). However, aggregate coverage concealed substantial undercoverage during high-volume interventions (61.91% coverage among above-threshold events). These results show that boosted-tree models with rolling calibration provide accurate probabilistic forecasts of aggregate redispatch volumes under target delays, while nominal aggregate validity does not ensure reliability during extreme congestion events.
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Machine Learning
Structure-Aware Graph Abstention for Reliable Selective Forecasting
Jianxiang Xie and Belal Alsinglawi
Selective forecasting abstains on high-risk test windows under a retained-coverage budget. Existing gates such as TEM (Brusokas et al., 2025) score each forecast as a whole; for multivariate outputs, trajectories can look plausible while violating dependencies among variables. We treat instance-level plausibility and relational consistency as distinct reliability axes and operationalize the latter via a learned sparse graph and a Dirichlet-style structural energy E_struct, trained with error-weighted graph regularization and score-error
alignment. On seven long-horizon
benchmarks and four backbones, structural gating often reduces selective MSE versus TEM at matched coverage, with the largest gains where cross-variable structure appears more informative in our
benchmarks; gains are not universal, indicating a complementary abstention signal. Table 1 is a Protocol A ranking diagnostic (seed 2024); three-seed deployable Protocol B on an aligned subset is in Table 3 (full validation-to-test grids: Appendix A).
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Machine Learning · Cross-listed from cs.AI
The Standardization Trap: Certifying Joint Label Processing in Tabular Foundation Models
Duong Nguyen, Nicolas Chesneau and Milan Bhan
Linear regression and kernel smoothing offer tractable explanations of in-context learning: in both, the features determine the weight assigned to each context label. However, whether this fixed-weight account describes pretrained tabular foundation models (TFMs) remains unclear. Testing this account using derivatives runs into a standardization trap: public TFM packages standardize the labels before the model sees them, yet ordinary derivatives also reflect behavior outside the set of standardized labels, making a model appear nonlinear even when every prediction it makes agrees with a fixed-weight map. We propose two certificates that depend only on predictions at standardized labels and can reject two distinct explanations: fixed-weight prediction and sums of independent nonlinear label transformations. Across the five public TFMs that we evaluate, our certificates show that changing one context label alters how other labels influence the prediction, a behavior we call joint processing. We further find that joint processing emerges with training and that
attention scores carry most of the measured interaction. Together, these findings motivate TFM explanations that account for how context labels change the influence of individual examples.
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Machine Learning · Cross-listed from cs.AI
CoDe-LoRA: Mitigating the Orthogonality Dilemma in Continual Learning of LLMs via Knowledge Consolidation and Decoupling
Maoqi Liu, Quan Fang and Yufei He
Continual learning (CL) is essential for Large
Language Models (LLMs) to sequentially adapt to evolving tasks. To mitigate catastrophic forgetting, recent advances implement low-rank adaptation with orthogonal projections (e.g., O-LoRA) to isolate task parameters. However, we reveal that such strict
geometric constraints trigger an "Orthogonality Dilemma": rigid parameter isolation impedes the transfer and accumulation of shared representations across semantically related tasks. In this work, we propose a new replay-free method, called Consolidation and Decoupling LoRA (CoDe-LoRA), for CL of LLMs. CoDe-LoRA disentangles the learning process into Consolidating Universal Knowledge and Decoupling Task-Specific Knowledge. To achieve this, CoDe-LoRA leverages an adaptive null space projection mechanism and semantic routing to balance knowledge accumulation with task-specific adaptation. Experimental results across four backbones and three CL
benchmarks show that CoDe-LoRA achieves the best average accuracy. Our code is available at https://github.com/Estrellajer/CoDe-LoRA.
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Machine Learning
OxiGen: Oxidation-State-Aware Crystal Generation
Dylan John, Kim E. Jelfs, Alex M. Ganose et al. (+1 more)
Generative models have the potential to accelerate inorganic materials discovery by enabling inverse design, but generating experimentally realisable
crystals remains challenging. Oxidation states are widely used to assess the compositional validity of
crystals and guide inorganic materials discovery. While existing generative models for
crystals can generate materials with charge-neutral oxidation-state assignments, they poorly reproduce the distributions of oxidation states observed in synthesised materials. To address this limitation, we propose OxiGen, an oxidation-state-aware
crystal diffusion model that explicitly represents oxidation states during generation. OxiGen enforces global charge neutrality by construction using a structured output layer with exact inference over a finite-state automaton. Empirically, OxiGen substantially improves oxidation-state fidelity, generates the highest rate of stable, unique, and novel
crystals among evaluated methods, and maintains high compositional validity even under property conditioning.
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All authors Dylan John, Kim E. Jelfs, Alex M. Ganose, Eleonora Giunchiglia
Machine Learning · Cross-listed from stat.ME
Where Do Two Populations of Persistence Diagrams Differ? Calibrated Local Inference at a Fixed Budget
Pramita Bagchi, Edward Bae, Atish Mitra et al. (+3 more)
Many two-sample tests for populations of persistence diagrams assess global differences without identifying the regions of the birth-death plane that contribute to them. We study simultaneous inference for local mean contrasts when the number of available diagrams is fixed. They are differences in expected weighted feature mass within $\ell_\infty$ neighborhoods at several centers and radii. We estimate these contrasts using additive landmark responses. A Gaussian multiplier bootstrap calibrates simultaneous confidence intervals while allowing unequal group covariances. The neighborhoods whose intervals exclude zero form a map with approximate family-wise error control, and selecting a subset of original intervals for display preserves their joint coverage guarantee. On the simultaneous coverage event, every reported neighborhood lies within twice its radius of the support of the mean-measure difference. A
geometric result gives sufficient radius conditions for a displaced feature to produce a nonzero contrast. A comparison of sufficient detection thresholds quantifies the tradeoff between reducing the number of tested coordinates and reserving observations for an independent pilot. In simulations with 40 to 120 diagrams per class, the bands achieved 94%-98% simultaneous coverage under both the strict null and equal means with unequal covariances. In the latter setting, a permutation maximum and the pooled-t implementation of the two-stage persistence-image test of Moon and Lazar rejected in up to 32% and 26% of runs, respectively. In the fixed-budget simulations, spending a third of the observations on a pilot to choose landmarks or radii located changes less often than a prespecified grid at a single radius. On the MUTAG
benchmark, the localized region concentrates on rings of fused-ring systems, an exploratory reading.
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All authors Pramita Bagchi, Edward Bae, Atish Mitra, Alexander D. Silberman, Žiga Virk, Sushovan Majhi
Machine Learning
Scalable extraction and visualization of multi-attribute logical and functional dependencies in tabular data
Chaithra Umesh, Arvind Lomrore, Neethu D et al. (+3 more)
Understanding the structural relationships among attributes in tabular data is fundamental to machine learning and pattern recognition. While functional dependency (FD) discovery has been extensively studied, scalable discovery of logical dependencies (LDs), particularly as the number of attributes and dependency order increase, remains underexplored. These dependencies capture non-deterministic, condition-specific relationships among pairwise or multiple attributes. Furthermore, existing approaches do not provide a unified framework for extracting multi-attribute LDs and FDs. To address these limitations, we propose LDTool and HLDTool for extracting and visualizing multi-attribute LDs and FDs from tabular data. LDTool extends dependency discovery beyond pairwise relationships, while HLDTool enables scalable extraction through hypergraph-guided search-space reduction. Experiments on three simulated and eleven real-world
datasets demonstrate that the proposed framework extracts meaningful LDs and FDs while improving scalability. LDTool recovers the same FDs as existing FD discovery methods with lower runtime in high-dimensional feature spaces, whereas HLDTool enables dependency discovery in
datasets with hundreds of features. The proposed framework provides interpretable visualizations of dependency structures and supports applications in exploratory data analysis and the quantitative evaluation of synthetic tabular data.
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All authors Chaithra Umesh, Arvind Lomrore, Neethu D, Kristian Seegel-Schultz, Saptarshi Bej, Olaf Wolkenhauer
Machine Learning · Cross-listed from stat.ML
Two-Sample Testing via Generative Processes
Eshant English, Kenji Fukumizu and Taiji Suzuki
Deciding whether two samples come from the same distribution is a classical problem in statistics, and generative transport offers a new way to approach it. We build a
stochastic interpolant directly between the two samples and observe that, for a symmetric schedule, its law is invariant under the time reflection $t \mapsto 1-t$ whenever the two distributions coincide. We therefore test whether the marginals at times t and 1-t agree by computing their Jensen–Shannon divergence. Both marginals are explicit mixtures over all cross-pairs of observations, so nothing is learned, and permutation calibration gives an exact finite-sample level. For Gaussian noise, this divergence equals a time integral that pairs the reflection defects of the velocity field and of the score, so the test compares transport dynamics rather than endpoints alone. With a narrow-plus-broad noise design, the test attains the minimax separation rate n^{-2s/(4s+d)} over bounded, compactly supported densities whose difference has Sobolev smoothness s > 3d/4, with no lower bound on the densities. Fusing a dyadic grid of noise scales through their permutation ranks, without sample splitting, preserves exact level and adapts to unknown s at an iterated-logarithmic cost. Empirically, the test matches or outperforms state-of-the-art kernel two-sample tests.
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Machine Learning
Performative Prediction with Selective Labels
Giovani Valdrighi, Isabel Valera and Marcos Medeiros Raimundo
Many social applications of machine learning exhibit performative effects: population behavior changes in response to deployed models. Performative prediction studies this interaction through a distribution map that relates each model to the population distribution it induces. One of the main results in this framework showed that repeated risk minimization (RRM), which updates models by retraining on the most recent data, can converge to a stable model that minimizes risk on its own induced distribution. However, existing analyses typically assume access to the complete distributions of features and labels after model deployment, ignoring the possibility of selective labels: observing labels only for the accepted subset of the population. In this work, we formalize performative prediction with selective labels and show that retraining only on observed data can misguide the retraining procedure and undermine the guarantees of convergence to a stable solution. We then propose a worst-case objective based on knowledge of a confidence interval on the probability of a positive label. Applying RRM to this objective permits us to remain within a bounded distance to the true stable point. Under a sensitivity assumption on the conditional label distribution, we further show how previously accepted data can tighten these confidence intervals over time. Experiments in a lending application with
fairness regularization show that our robust optimization approach closely matches the performance of RRM with complete label access.
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Machine Learning
Reinforcement Learning with Segment Reward Feedback under Linear Function Approximation
Fengxu Liu, Siwei Wang, Gal Dalal et al. (+2 more)
Classical reinforcement learning (RL) assumes that a reward is observed for every visited state-action pair. However, in real-world applications such as autonomous driving, such fine-grained feedback can be costly or difficult to collect, whereas trajectory-level feedback may be too sparse for efficient learning. To provide a general feedback model bridging these two extremes and handle large state spaces, we study RL with segment reward feedback under linear function approximation. Our work answers how the granularity of segment feedback and the choice of segmentation influence learning. For equal-length segments with known transitions, we design
algorithms $\bitssegd$ and $\edlinucbsegd$ for binary and sum feedback types, respectively. They adopt posterior sampling with planning to achieve computational efficiency and the E-optimal experimental design to attain near-optimality. Nearly matching lower bounds are established. For equal-length segments with unknown transitions, we develop a unified $\seglsvits$ framework with two instantiations for binary and sum feedback, which carefully integrates the posterior estimated reward parameters into least-squares value iteration. These results reveal a fundamental insight: under binary feedback, increasing the number of segments significantly reduces the regret through an exponential factor, while surprisingly, under sum feedback, the granularity of segments does not affect learning much. Finally, to investigate whether segmenting according to state-action features can further expedite learning, we design an
algorithm $\uneqsegbitsd$ that allows arbitrary segmentations. The resulting regret bound shows that under the usual elliptical potential analysis, the influence of state-action features on the regret appears only through logarithmic factors, and equal segmentation achieves the best performance.
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All authors Fengxu Liu, Siwei Wang, Gal Dalal, Shie Mannor, Yihan Du
Machine Learning · Cross-listed from cs.DC
DySCo: Dynamic Sharding for Collaborative Edge-Cloud LLM Inference with Depth-Synchronized Batching
Jingpo Xu, Paul Joe Maliakel, Ivona Brandic et al. (+1 more)
Pervasive intelligent applications are increasingly deployed on mobile and Internet of Things (IoT) edge devices. Consequently, Large
Language Models (LLMs) are increasingly used to support these applications. Yet, due to their high resource demands, LLMs are mostly deployed in the cloud. Layer-wise edge-cloud inference lets resource-constrained edge devices contribute computation to LLMs they cannot host in full. However, heterogeneous split points introduce two coupled inefficiencies. First, edge execution and communication create idle gaps between cloud invocations. Second, requests arriving at different model depths cannot be conventionally batched. We present DySCo, a collaborative runtime that keeps KV caches local and introduces dyForward, a model-aware layer-range executor that runs configurable contiguous layer ranges from resident model shards without reloading weights. For multi-edge serving settings, we introduce depth-synchronized batching (DSB), which advances heterogeneous requests to the deepest cut and batches their common suffix. Experiments across heterogeneous devices, two model families, and local and wide-area links show that idle gaps increase the latency of subsequent GPU forward calls even when waiting time is excluded, adding up to 25 ms of additional cloud-side suffix latency per decoding step in our measurements. At an average concurrency of eight, DSB improves throughput by 275% over FIFO, 48% over exact-match batching, and 79% over round-robin interleaving while reducing mean per-session latency. Together, these results show that requests with different edge-cloud splits can reuse resident cloud weights and share batched suffix computation. The artifact repository for this work is publicly available at: https://github.com/Large-scale-Sustainable-Computing-LSC/dysco-artifact
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All authors Jingpo Xu, Paul Joe Maliakel, Ivona Brandic, Shashikant Ilager
Machine Learning · Cross-listed from cs.CR
HE-OFT: Privacy-Preserving One-Shot Federated Fine-Tuning under Homomorphic Encryption
Halil İbrahim Kanpak, Sinem Sav and Alptekin Küpçü
Many organizations adapt large pretrained models to their own tasks by fine-tuning on private data. Several of these parties often hold data for the same task and wish to fine-tune a model together without pooling that data.
Federated learning (FL) enables joint fine-tuning, but reconstruction attacks on shared intermediate values (the model or its gradients) remain a
privacy risk. A one-shot protocol that exchanges one encrypted contribution exposes no intermediate value. Such a protocol still gives the trained model to every participant, which is not permitted where the model is a regulated or proprietary asset. We present HE-OFT, the first cryptographically secure one-shot
federated fine-tuning protocol in which no party receives the trained model. Each client fine-tunes a low-rank adapter and a classifier head on a frozen public backbone and keeps the adapter. The client uploads one encrypted head displacement, which the server combines under multiparty CKKS and never decrypts. A quorum of clients returns only the predicted label to the querier. On four text classification tasks and one
vision task, HE-OFT reaches 61 to 79 per cent accuracy, against 20 to 48 per cent for a client training alone. HE-OFT keeps 85 to 96 per cent of the accuracy of a disclosed model. A test-time query takes 443.1 to 1713.1 s on one core, or 56.1 to 255.1 s with level restoration on a GPU. Restoring levels at the server cuts the traffic per query from up to 1.6 GiB to 13.5 MiB.
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Machine Learning · Cross-listed from cs.AI
LeanPlan: Optimal Planning with LLM-Generated Heuristics and Admissibility Proofs
André G. Pereira, Augusto B. Corrêa, Felipe Meneguzzi et al. (+1 more)
Frontier large
language models (LLMs) can generate heuristic functions that guide search to achieve state-of-the-art performance in satisficing planning, where any plan is acceptable. However, these heuristics are not guaranteed to be admissible and can lead to suboptimal plans. We introduce LeanPlan, the first planning system that finds optimal plans with LLM-generated heuristics whose admissibility is machine-checked. Given a domain description and training tasks, an agentic loop uses planner feedback to iteratively improve a reusable domain-specific heuristic, its admissibility proof and the required domain assumptions. LeanPlan implements the heuristic, its proof and an efficient planner with machine-checked grounding and search in Lean 4. We evaluate LeanPlan on ten domains from the International Planning Competition and three new domains, using test tasks with up to 57 times as many objects as the training tasks. With GPT-5.6 Sol in the agentic loop, we successfully generate heuristics and admissibility proofs for all these domains. With the resulting heuristics, LeanPlan usually expands fewer states than the state-of-the-art Scorpion planner and solves more tasks overall.
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All authors André G. Pereira, Augusto B. Corrêa, Felipe Meneguzzi, Jendrik Seipp
Machine Learning · Cross-listed from stat.ML
How Many Independent Samples Does a Satellite Image Contain? Generalization Bounds for Spatially Dependent Data
Robin Young
Machine learning classifiers for remote sensing imagery are typically evaluated as though every pixel were an independent sample. Spatial autocorrelation violates this assumption, since neighboring pixels carry redundant information which inflates sample sizes. How many independent samples does a satellite image actually contain? For an $n \times n$ image whose spatial correlation persists over a range of $r$ pixels, the effective sample size is $\Theta(n^2/r^2)$, not $n^2$. We prove this as a finite-sample upper bound for classifiers on spatially correlated data, and show via a matching lower bound that the rate is tight, and no
algorithm can do better. We extend the results to images with directional correlation and spatially varying correlation structure. Our result justifies spatial cross-validation since block holdout with separation proportional to the correlation range achieves optimal generalization guarantees, while random holdout can underestimate confidence interval widths by a factor proportional to $r$. We validate the theory on synthetic data and satellite image tiles from three sensors (Landsat 8, Sentinel-2, and Sentinel-1).
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Machine Learning · Cross-listed from stat.ML
Anytime-valid simulation-based hypothesis testing
Patrick Forré and Lydia Brenner
For a given data distribution $(X_t)_{t \in \mathbb{N}} \sim Q$ i.i.d., we investigate the hypothesis testing problem: $H_0: Q = P_0$ vs. $H_1: Q = P_1$, for two different model probability distributions $P_0$ and $P_1$. In contrast to the standard setting, where analytic densities $p_0$ and $p_1$ are given, here, we consider the density-free setting, where we only have access to i.i.d. simulations $(Z^0_t)_{t \in \mathbb{N}} \sim P_0$ and $(Z^1_t)_{t \in \mathbb{N}} \sim P_1$. For this simulation-based hypothesis testing setting, we construct an e-test martingale, resulting in a sequential test with anytime-valid type-I error guarantees, approximate growth optimality, geometrically decaying type-II error bounds, and asymptotic power one. Most ingredients used in our constructions are variants of well known concepts. The value of this paper lies in the compact presentation of an effective, anytime-valid solution for the density-free simulation-based sequential hypothesis testing case.
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Machine Learning
Finding the Heads and the Neurons Responsible for Network Information Retrieval in Language Models
Md Abdul Kadir, Md Mohasin Hossain and Daniel Sonntag
We ask whether specific
attention heads, and more finely specific
neurons inside those heads, are responsible for recognizing that a
language model's context contains network infrastructure information (a hostname paired with its IP address), and whether that responsibility can be validated causally rather than by correlation alone. At the head level the answer is yes, across five models spanning three architecture families: in every model, a small set of heads (1 to 9 out of 128 to 1152 candidates), found by causal ablation screening and tested for selectivity against matched negative and context-free controls, supports a detector with 99.5–100% held-out accuracy. We then ask whether a head's responsibility concentrates into one
neuron or stays spread across its dimensions; this is model-specific. In one model, the top head's signal concentrates into a single
neuron, found independently by both a causal intervention and a correlational ranking, which agree exactly (AUC = 1.000, matching the full head). In another, the single clean head works as a whole (AUC = 1.000) but the best causally ranked
neuron inside it does not (AUC = 0.665), so the responsibility there is spread across the head. The remaining three models fall in between. On an independent
dataset collected by a different institution (reverse-DNS records rather than the discovery data), every model's full-head detector flags 100% of positive records; the single-
neuron versions transfer less reliably, and in one model score below chance. Causal head-finding for a specific network-information entity works across models and architectures; how far that finding can be pushed down to individual
neurons varies, and needs to be checked for each model.
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Machine Learning · Cross-listed from cs.RO
Compact Robot Policies Need Fine-Grained Visual Representations
Nanhe Chen, Runqiu Yang, Jiawei Tang et al. (+2 more)
Multi-task manipulation policies differ in architecture, scale, and pretrained priors all at once, so published comparisons cannot attribute performance to any single component. We argue that most of it comes from the visual representation, and that parameter scale and generative priors are largely incidental. To test this, we build CoRP (Compressed Representation Policy), a deliberately compact policy (48.9M parameters, no
vision-
language model and no
video-generative prior) that factorizes into a representation extractor and a flow-matching action generator. It reaches 97.0% on LIBERO and 75.78%/73.36% on RoboTwin 2.0 Clean/Randomized, matching systems 40.9-163.6x larger. Holding the action generator fixed, we then vary one extractor property at a time. Pretrained initialization is decisive: a random ViT-S/14 drops to 78.1% and an ImageNet ResNet-34 to 74.5% on LIBERO. Pretraining alone is not enough, as freezing the encoder costs 19.8 points. Compression matters as much: resampling each view to 48
tokens beats passing all patch
tokens (97.0% vs 83.2%), and a variational information bottleneck over those
tokens is worse than a hard
token budget, cutting LIBERO-Goal from 95.8% to 33.0% by suppressing the instruction-dependent
token selection the policy relies on.
Language conditioning contributes only where the observation leaves the goal ambiguous (LIBERO-Goal: 9.2% to 95.8%), while on RoboTwin 2.0, where observations are unambiguous, removing it slightly improves success. Therefore, we argue that a compact policy works when its representation is pretrained, task-adapted, and compressed. Project page: https://corp-policy.github.io/
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All authors Nanhe Chen, Runqiu Yang, Jiawei Tang, Sichao Liu, Yuquan Wang
Machine Learning
On the Intrinsic Limited Robustness of Latent-Based Watermarking
Cheng-Han Yeh, Kuan-chun Yu, Cheng-Chang Tsai et al. (+1 more)
Existing latent-based watermarking methods for
diffusion models have overestimated their robustness to image distortions, including
geometric transformations such as rotation, scaling, and translation (RST). Moreover, this paradigm of watermarking approaches may suffer from inherent limitations arising from the domain in which the watermark is embedded. In this paper, we provide the first theoretical analysis explaining why these methods lack invariance to perturbations. By relaxing the invariant relation, we derive a maximum perturbation bound that characterizes the relationship between pixel-space perturbations and their corresponding effects in latent space. In addition, we present the first analytical formulation that captures all components of practical detection mechanisms. Finally, we conduct experiments to validate the theoretical findings and the limitations of latent-based watermarking methods. Our theoretical and empirical results indicate that, under the current design paradigm, latent-based watermarking methods intrinsically exhibit limited robustness. We conclude by providing the analytical tool and design guidelines that future research could follow.
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All authors Cheng-Han Yeh, Kuan-chun Yu, Cheng-Chang Tsai, Chun-Shien Lu
Machine Learning · Cross-listed from cs.AI
LFHE: Local-First Heuristic Evolution for Bounded Local Topology Search in Decentralized Learning with Non-IID Data
Yin-Kuan Liang, Yan Gao and Yang Long
Decentralized learning is highly sensitive to communication
topology under non-IID data. Adaptive peer-selection methods can exploit local model information, but broader peer discovery may require increasingly large control state, whereas direct spectral optimization typically relies on graph-wide information. We study the intermediate setting of bounded local
topology search and propose Local-First Heuristic
Evolution (LFHE), a representation-driven rewiring framework whose candidate discovery and scoring use only ego-neighborhood and friend-of-a-friend (FoF) information. The structural score admits an exact interpretation through graph Dirichlet energy: its sum across clients equals twice the representation Dirichlet energy, which under standard linear consensus dynamics governs the instantaneous dissipation of representation disagreement. LFHE combines this state-dependent structural signal with early exploration and degree control, while algebraic connectivity remains an offline graph diagnostic. Under bounded sparse degree, its FoF candidate state remains local rather than expanding toward population-wide peer tracking. Across four image,
speech, and text
benchmarks, LFHE achieves competitive decentralized learning performance. Matched-protocol controls identify the structural term as the principal empirical
topology-selection signal, while comparison with broader peer discovery exposes a trade-off between predictive performance and discovery-state locality. Together, these results motivate state-aware bounded local
topology search between pairwise peer selection and globally informed
topology optimization.
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Machine Learning · Cross-listed from cs.SE
Beyond the Leaderboard: Multi-Dimensional Evaluation of Dense and Mixture-of-Experts Models for Automated Program Repair
Anvi Kalpesh Shah and Umamaheswara Sharma B
Automated Program Repair (APR) with
language models is usually evaluated by whether a generated patch passes the test suite, which can hide differences in maintainability, security, and computational cost. We propose a Weighted Quality Index (QI), inspired by the ISO/IEC 25010 software quality model, that combines functional correctness, maintainability, security, and generation efficiency under configurable weighting schemes. We evaluate three dense Qwen2.5-Coder models (3B, 7B, 14B) and the 16B-parameter DeepSeek-Coder-V2-Lite Mixture-of-Experts (MoE) model (2.4B active parameters) on 40 QuixBugs and 90 Defects4J bugs, all run locally on identical hardware to control for infrastructure effects. Model rankings change with the weighting scheme, showing that single-metric evaluation can hide trade-offs. The MoE model shows almost no statistically significant difference in correctness from the 7B and 14B dense models (McNemar's exact test) while using 3-6 times fewer active parameters, whereas correctness increases significantly across the three dense scales. These results suggest that active parameter count can be a more informative lens than total parameter count for sparse code models.
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