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Computer Science Machine Learning

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Thursday 7 May

Machine Learning · Cross-listed from cs.AI

Nonsense Helps: Prompt Space Perturbation Broadens Reasoning Exploration

Reinforcement learning with verifiable rewards, particularly Group Relative Policy Optimization (GRPO), has significantly advanced the reasoning capabilities of Large Language Models (LLMs). However, in complex tasks, GRPO frequently suffers from the “zero-advantage problem”: when all sampled rollouts for a query fail, the relative advantage collapses to zero. Consequently, the model loses effective training signals for these questions, wasting the training data and computational budget. While simply increasing the sampling budget for these questions is a common remedy, the static sampling policy inherently constrains reasoning exploration, limiting the success rate. In this paper, we propose Lorem Perturbation for Exploration (LoPE), a simple yet effective training framework to break this exploration bottleneck. We posit that task-irrelevant prompt-space perturbations can shift the model's output distribution enough to unlock orthogonal reasoning pathways for hard questions. Specifically, LoPE prepends sequences stochastically assembled from Lorem Ipsum vocabulary (a pseudo-Latin placeholder text) to the prompts before resampling. Experiments across 1.7B, 4B, and 7B models demonstrate that LoPE significantly outperforms resampling with the original prompts. Further analysis reveals that other Latin-based random sequences with low perplexity are also effective perturbations. Our results establish LoPE as a strong baseline for broadening exploration in LLM reinforcement learning.
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All authors Langlin Huang, Chengsong Huang, Jinyuan Li, Donghong Cai, Yuyi Yang, Jiaxin Huang

Machine Learning

FedeKD: Energy-Based Gating for Robust Federated Knowledge Distillation under Heterogeneous Settings

Federated learning (FL) operates in heterogeneous environments, where variations in data distributions and asymmetric model design often result in negative transfer. While federated knowledge distillation (FKD) avoids direct model parameter sharing, existing methods typically rely on public datasets or assume that transferred knowledge is uniformly reliable, which limits their robustness in practice. This paper presents FedeKD, a reliability-aware FKD framework that makes sample-wise trust estimation an explicit component of knowledge transfer, without relying on additional public data. Each client maintains a high-capacity private model for local learning and a lightweight shared proxy model for cross-client knowledge exchange. During training, proxy models are aggregated on the server to form a global proxy, which is then used to guide updates of the private models. At the core of FedeKD is an energy-based gating mechanism that converts task-specific private-proxy disagreement into sample-wise trust weights for backward distillation. This mechanism enables sample-wise weighting of knowledge transfer, where the proxy model contributes more to reliable samples while down-weighting unreliable ones. Extensive experiments on six real-world datasets demonstrate that FedeKD significantly reduces negative transfer under heterogeneous settings while maintaining strong predictive performance.
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Machine Learning

Adaptive Q-Chunking for Offline-to-Online Reinforcement Learning

Offline-to-online reinforcement learning with action chunking eliminates multi-step off-policy bias and enables temporally coherent exploration, but all existing methods use a fixed chunk size across every state. This is suboptimal: near contact events the agent needs short chunks for reactive control, while during free-space motion long chunks provide better credit assignment. The natural solution is to train critics for several chunk sizes and select the best one at each state, but naive comparison of learned critic values systematically collapses to the shortest chunk due to discount-scale mismatch, and degrades to noise in low-value states. We propose Adaptive Q-Chunking (AQC), which resolves both failures by comparing the advantage of each chunk size relative to a per-horizon baseline, normalized by the discount factor. This criterion converts biased wrong answers into unbiased near-random choices when no genuine signal exists, and becomes discriminative when a particular scale enables better planning. We prove theoretical bounds on the advantage selector's noise immunity and on the value dominance of adaptive chunking over any fixed chunk size. We demonstrate that AQC achieves state-of-the-art offline and online success rates on OGBench and Robomimic, and can be applied to enhance the performance of large-scale VLA models that predict action sequences, significantly boosting performance on RoboCasa-GR1 tasks.
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Machine Learning

Autoregressive One-Step Generative Modeling for Dynamical System Forecasting

Fast surrogate modeling for high-dimensional physical dynamics requires more than low short-term error: useful models must roll out efficiently while preserving the statistical structure of long trajectories. Neural operators provide inexpensive autoregressive forecasts but can drift in turbulent regimes, whereas rolling diffusion and latent generative surrogates can represent stochastic transitions at the cost of multi-step denoising, noise-schedule design, or auxiliary compression models. We propose MeanFlow Long-term Invariant Spatiotemporal Consistency Autoregressive Models (MeLISA), a latent-free autoregressive generative surrogate built on pixel-space MeanFlow. MeLISA defines a blockwise stochastic transition kernel that generates each forecast block with a single model evaluation, avoiding latent encoders and iterative diffusion solvers at inference time. To stabilize long-horizon rollouts, MeLISA combines a Window-Consistency MeanFlow objective that learns conditional spatiotemporal generation from partially observed temporal windows with a Time Increment Consistency loss that constrains multi-lag finite increments and targets temporal-correlation structure. We evaluate MeLISA with compact UNet and scalable DiT backbones on two high-resolution benchmarks, extended 2D Kolmogorov flow at $256 \times 256$ and turbulent channel-flow slice at $192 \times 192$. MeLISA outperforms neural-operator baselines on short-term forecasting accuracy and long-horizon statistical metrics, including energy spectra, turbulent kinetic energy, and mixing-rate-related dynamics, while achieving inference speeds comparable to, and in some cases faster than, neural operators. To our knowledge, this is the first method for high-resolution one-step generation for physical dynamical systems with performance comparable to state-of-the-art deterministic surrogates.
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Machine Learning

Adversarial Graph Neural Network Benchmarks: Towards Practical and Fair Evaluation

Adversarial learning and the robustness of Graph Neural Networks (GNNs) are topics of widespread interest in the machine learning community, as documented by the number of adversarial attacks and defenses designed for these purposes. While a rigorous evaluation of these adversarial methods is necessary to understand the robustness of GNNs in real-world applications, we posit that many works in the literature do not share the same experimental settings, leading to ambiguous and potentially contradictory scientific conclusions. In this benchmark, we demonstrate the importance of adopting fair, robust, and standardized evaluation protocols in adversarial GNN research. We perform a comprehensive re-evaluation of seven widely used attacks and eight recent defenses under both poisoning and evasion scenarios, across six popular graph datasets. Our study spans over 453,000 experiments conducted within a unified framework. We observe substantial differences in adversarial attack performance when evaluated under a fair and robust procedure. Our findings reveal that previously overlooked factors, such as target node selection and the training process of the attacked model, have a profound impact on attack effectiveness, to the extent of completely distorting performance insights. These results underscore the urgent need for standardized evaluations in adversarial graph machine learning.
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All authors Tran Gia Bao Ngo, Zulfikar Alom, Federico Errica, Murat Kantarcioglu, Cuneyt Gurcan Akcora

Machine Learning

Energy Generative Modeling: A Lyapunov-based Energy Matching Perspective

Generative models based on static scalar energy functions represent an emerging paradigm in which a single time independent potential drives sample generation through its gradient field, eliminating the need for time conditioning entirely. We unify the training and sampling phases of this paradigm, conventionally treated as separate procedures, within a single framework: density transport on the Wasserstein space, cast as a nonlinear control problem in which the Kullback Leibler (KL) divergence serves as a Lyapunov function. Training and sampling are then two instances of this same master dynamics, differing only in initial condition. Within this autonomous framework we develop two analytic results. First, since the Lyapunov certificate is asymptotic, we derive a finite step stopping criterion for Langevin sampling and prove that no Lyapunov certificate exists for the deterministic gradient flow on the same energy landscape. Second, the reformulation brings the toolkit of nonlinear control theory to bear on static scalar energy generative modeling, that is, we show that additive composition of trained scalar energies retains an explicit Gibbs invariant measure and inherits the closed-loop Lyapunov certificate. Beyond these immediate results, this reformulation bridges static scalar energy generative models with the full toolkit of nonlinear control theory, opening the door to barrier functions for constrained generation and contraction metrics for accelerated sampling. Experiments on synthetic distributions validate the theoretical predictions.
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Machine Learning · Cross-listed from cs.CE

Discrete Elastic Ribbons: A Unified Discrete Differential Geometry Framework for One-Dimensional Energy Models

Elastic ribbons, slender structures whose length ($L$), width ($W$), and thickness ($b$) satisfy $L \gg W \gg b$, exhibit mechanical behaviors intermediate between one-dimensional rods ($L \gg W, b$) and two-dimensional plates ($L, W \gg b$). In quadratic Kirchhoff-type rod-based frameworks, such as Discrete Elastic Rods (DER), the governing equilibrium equations are independent of width, and therefore these models cannot capture width-dependent mechanical effects. Reduced centerline-based ribbon models attempt to capture width dependence via coupled bending-twisting energies. However, their relative accuracy remain unclear due to the absence of a unified simulation framework. In this work, we formulate a framework grounded in discrete differential geometry where the energy is expressed as functions of coupled bending-twisting strain measures along the centerline, rather than a linear sum of quadratic bending and twisting energies in DER. We derive analytical gradients and Hessians of the energy that enable implicit time integration. Within this unified setting, we compare five ribbon models: Kirchhoff, Sadowsky, Wunderlich, Sano, and Audoly. As a benchmark, a straight ribbon is longitudinally constrained into a pre-buckled arch and subjected to transverse displacement, inducing a supercritical pitchfork bifurcation. Predicted bifurcation thresholds are compared against shell-based finite element simulations, with the Sano model providing the closest agreement in capturing width-dependent shifts. Our high-performance JAX-based implementation achieves $\mathcal{O}(N)$ per-iteration cost and also confirms that Sano model introduces negligible per-iteration overhead relative to standard DER.
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Wednesday 6 May

Machine Learning

Semalith v1.4: A Calibrated 184M Safety Classifier Achieving State-of-the-Art Prompt-Injection Detection at 44x Fewer Parameters than Llama-Guard-3-8B

Deploying large language models in financial-services and agentic settings requires safety classifiers that simultaneously handle prompt injection, regulatory compliance, and general harm, a combination no existing open guardrail addresses in a single inference pass. Semalith v1.4 is a 184M-parameter DeBERTa-v3-base classifier performing simultaneous three-axis safety classification including prompt injection, general harm, and financial-services regulatory compliance, in a single forward pass. Its 22-class head (BENIGN, nine prompt-injection sub-types, general-harm, eleven BFSI labels) is trained with a 4-class auxiliary super-category head under jointly weighted loss, on a 76,204-row corpus mined from 49 public sources with SHA-1 deduplication against every held-out evaluation set, with 21 of 22 benchmarks at zero contamination (max 0.22%). Against Llama-Guard-3-8B on 22 held-out benchmarks, Semalith v1.4 wins every prompt-injection evaluation (7/7) and 11 of 18 benchmarks overall at 44x fewer parameters, with FPR = 0.000 on 208 benign agentic prompts vs 0.063 for Llama-Guard-3-8B. On general-harm benchmarks (WildGuardMix, HEx-PHI, HarmBench), Llama-Guard-3 leads; this complementary split is documented in Section 4. Six measured weak spots are disclosed in Section 6. Deployment guidance: v1.3 is recommended for conversational moderation deployments (ToxicChat F1 0.624); v1.4 is recommended when BFSI label coverage or zero-FPR on benign agentic prompts is the priority.
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Machine Learning · Cross-listed from eess.SP

Inverse Design of Multi-Layer Sub-Pixel-Resolution RF Passives Through Grayscale Diffusion with Flexible S-Parameter Conditioning

Inverse design of RF passive components from S-parameters is a high-dimensional, ill-posed problem, and prior generative approaches are limited to single-layer binary-metallization structures. This paper presents an inverse design approach that generates passive components from partial S-parameter inputs on an $8\times8$ mm board discretized at $64\times64$ pixels with sub-pixel grayscale metallization across 1-20 GHz. The framework generates two-layer copper layouts with vias, with hard physical constraints on feed locations enforced through annealed Langevin projection, flexible multi-modal conditioning on partial S-parameter specifications, port locations, dielectric properties, reference topology, and variable port placement. Candidate designs are generated in seconds, with surrogate-predicted S-parameters matching targets to within $0.77 \pm 1.28$ dB weighted mean absolute error. We validate the approach with two fabricated designs on RO4003C: a manufacturable alternative to a hairpin filter whose coupling gaps violate fabrication rules, and a combline bandpass filter designed from scratch given only target S-parameters.
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All authors Tommaso Dreossi, Christopher M. Bryant, Hao Liu, Nathan Mirman, Noah Kessler, Michael Frei, Harish Krishnaswamy

Machine Learning

Hierarchical Multi-Fidelity Learning for Predicting Three-Dimensional Flame Wrinkling and Turbulent Burning Velocity

High-fidelity experimental characterization of turbulent premixed flames remains limited by the cost and complexity of advanced diagnostics, particularly under elevated pressures and intense turbulence where measurements of coupled flame morphology and burning dynamics are sparse. Here, we develop a hierarchical multi-fidelity neural network framework (MuFiNNs) to address this challenge by integrating sparse high-fidelity experimental data with structured low-fidelity representations encoding dominant physical trends. The framework combines hierarchical low-fidelity construction with nonlinear multi-fidelity correction to learn coupled geometric and reactive flame behavior while recovering discrepancies that simplified models alone cannot capture. The methodology is applied to expanding turbulent premixed flames to predict three-dimensional flame wrinkling dynamics and turbulent mass burning velocity across varying fuels, pressures, and turbulence intensities. Using experimentally informed low-fidelity trend models with sparse high-fidelity measurements, MuFiNNs accurately reconstruct observed flame behavior, enable interpolation across unseen operating conditions, and demonstrate robust extrapolation beyond the training domain. Importantly, the framework remains effective in noisy, weakly structured, or experimentally inaccessible regimes where conventional data-driven approaches often fail. These results show that hierarchical multi-fidelity learning provides a scalable and physically grounded strategy for predictive combustion modeling in data-limited regimes. More broadly, this work establishes multi-fidelity scientific machine learning as a practical framework for extracting physically meaningful predictive models from sparse experiments, particularly for instability-dominated and turbulence-sensitive reactive flows where high-fidelity data acquisition is demanding.
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All authors Saghar Zolfaghari, Yu Xie, Junfeng Yang, Safa Jamali

Machine Learning

TRAM: Training Approximate Multiplier Structures for Low-Power AI Accelerators

Reducing power consumption in AI accelerators is increasingly important. Approximate computing can reduce power consumption while keeping the accuracy loss small. Since multipliers are power-hungry components in AI models, this paper focuses on synthesizing low-power approximate multipliers (AxMs). Unlike prior works that design AxMs separately from AI model training, we present TRAM, which jointly optimizes the AxM structure and AI model parameters to lower power with small accuracy loss. Experiments show that compared to state-of-the-art AxMs, TRAM achieves up to 25.05% AxM power reduction on CNNs with CIFAR-10, and reduces power by up to 27.09% on vision transformers with ImageNet.
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All authors Chang Meng, Hanyu Wang, Yuyang Ye, Mingfei Yu, Wayne Burleson, Giovanni De Micheli

Machine Learning

Social Determinants of Health and Fentanyl Overdose Mortality Across US Counties: An XGBoost and SHAP Analysis Identifying Silent Risk Counties and Treatment Deserts

Background: Fentanyl overdose deaths are still increasing across the U.S. We do not fully understand which county-level social and structural conditions lead to higher overdose death rates. Social determinants of health, including disability, treatment access, and behavioral health issues, may help identify vulnerable counties before deaths become severe. No earlier study has used explainable machine learning with SHAP attribution on 2022 CDC WONDER data to study treatment access gaps and silent risk counties. Methods: We combined data from four government sources for 975 U.S. counties, including CDC WONDER (2022) overdose mortality data, CDC Social Vulnerability Index (SVI), CDC PLACES health behavior data, and Area Health Resources Files. An XGBoost model was used to predict overdose mortality risk using Standardized Mortality Ratio (SMR). Five-fold cross-validation was used to test model accuracy, and SHAP values were used to show which factors increase or decrease risk. Results: XGBoost outperformed all tested models (Spearman rho=0.67, R2=0.457, MAE=0.409, high-risk recall=71.1%). Top predictors were disability rate, hypertension, smoking, and lack of vehicle access. Treatment desert counties had 52.6% higher overdose mortality (SMR 1.786 vs 1.170; p<0.0001). K-means identified 143 silent risk counties. Overdose deaths were spatially clustered (Moran's I=0.505, p=0.001) with 75 hotspots and 136 coldspots. Suppressed counties were 58.2% of WONDER counties, mostly rural (72%) and treatment deserts (65%). Conclusions: County-level SDOH factors predict overdose deaths, especially disability, treatment access, and behavioral health burden. MOUD expansion should prioritize treatment desert counties, and silent risk counties need early intervention before mortality worsens.
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Machine Learning

A Simulated Federated Analysis of MS-Induced Brain Lesions

Federated techniques such as federated learning and federated analysis have emerged as a powerful paradigm for enabling multi-center research on sensitive clinical data while preserving patient privacy. In this study, we introduce a simulation framework that emulates a real-world federated research project focused on the analysis of multiple sclerosis (MS) patient data. The project comprises two components: an image segmentation task and a clinical data analysis task, where federated variants of survival analysis and Principal Component Analysis (PCA) are employed. To capture the complexity and heterogeneity of real clinical datasets, we construct a federation of high-fidelity synthetic cohorts designed to mirror MS-related clinical and demographic characteristics, while the imaging component leverages publicly available real-world datasets. Our simulation replicates key elements of authentic federated workflows, including distributed data governance, site-specific preprocessing, model training across isolated nodes, and the secure aggregation of analytical outputs. This framework provides a realistic testbed for developing, evaluating, and benchmarking federated learning methods in the context of MS research.
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All authors Evelyn Trautmann, Joël Federer-Gsponer, Markus C. Elze, José-Tomás Prieto

Machine Learning

NoisyCoconut: Counterfactual Consensus via Latent Space Reasoning

This paper presents NoisyCoconut, a novel inference-time method that enhances large language model (LLM) reliability by manipulating internal representations. Unlike fine-tuning methods that require extensive retraining, NoisyCoconut operates directly on model representations during inference and requires no retraining. Rather than training models to reason in latent space, we inject controlled noise into latent trajectories to generate diverse reasoning paths. Agreement among these paths provides a confidence signal, enabling models to abstain when uncertain. We demonstrate that this approach achieves effective coverage-accuracy tradeoffs across multiple reasoning benchmarks without requiring access to training data or modification of model parameters. This approach provides a practical pathway to improving the reliability of LLM outputs while maintaining compatibility with existing models. Our experiments show that unanimous agreement among noise-perturbed paths reduces error rates from 40-70% to below 15%, enabling models to exceed 95% accuracy on mathematical reasoning tasks through selective abstention.
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Machine Learning

Deep Dreams Are Made of This: Visualizing Monosemantic Features in Diffusion Models

This paper proposes latent visualization by optimization (LVO), a mechanistic interpretability technique that extends feature visualization by optimization - originally developed for convolutional neural networks - to latent diffusion models. LVO employs sparse autoencoders (SAEs) to disentangle polysemantic layer representations into monosemantic features. Key contributions include latent-space optimization, time-step activity analysis, schedule-matched noise injection, prior initialization through feature steering, and suitable regularization strategies. We demonstrate the method on Stable Diffusion 1.5 fine-tuned on the Style50 dataset, showing that SAE features produce clear visualizations of recognizable concepts - including diagonal compositions, human figures, roses, cables, and waterfall foam - that correlate with dataset examples, while the baseline without disentanglement produces less coherent results. We further show that regularization techniques from pixel-space feature visualization transfer to the latent domain, though they require different configurations for the raw-layer and SAE variants. Compared to dataset examples and steering, LVO provides complementary insights by directly revealing what activates a feature rather than its downstream effects.
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Machine Learning

Retrieval Mechanisms Surpass Long-Context Scaling in Time Series Forecasting

Time Series Foundation Models (TSFMs) have borrowed the long context paradigm from natural language processing under the premise that feeding more history into the model improves forecast quality. But in stochastic domains, distant history is often just high-frequency noise, not signal. Hence, the proposed work tests whether this premise actually holds by running continuous context architectures (PatchTST included) through the ETTh1 benchmark. The obtained results contradict the premise: an inverse scaling law shows up clearly, with forecasting error rising as context gets longer. A 3,000-step window causes performance to drop by over 68%, evidence that attention mechanisms are poor at ignoring irrelevant historical volatility. Retrieval-Augmented Forecasting (RAFT) is evaluated as an alternative. RAFT achieves a mean squared error (MSE) of 0.379 with a fixed 720-step window and selective retrieval, outperforming both long-context configurations and zero-shot foundation models (Chronos, Moirai) despite requiring far less computation. In addition, the retrieval step injects only the most relevant historical segments as dynamic exogenous variables, which gives the model a context-informed inductive bias it cannot build on its own from raw sequences. Therefore, foundation models going forward need to shift architecturally toward selective retrieval.
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All authors Rishi Ahuja, Kumar Prateek, Simranjit Singh, Vijay Kumar

Machine Learning · Cross-listed from cs.CV

Test-Time Training for Visual Foresight Vision-Language-Action Models

Visual Foresight VLA (VF-VLA) has become a prominent architectural choice in the recent VLA due to its impressive performance. Nevertheless, the inherent design of VF-VLA makes it particularly vulnerable to out-of-distribution (OOD) shifts. Because the quality of action directly depends on the accuracy of the predicted future visual information, OOD conditions affect both stages at once. To address this vulnerability, we propose Test-Time Training Visual Foresight VLA ($T^3$VF), a test-time training approach motivated by the observation that the predicted future image and its subsequent observation form a natural supervision pair. To further address the practical challenges that arise from indiscriminate test-time updates, we introduce an adaptive update filtering mechanism. Empirically, $T^3$VF mitigates the OOD vulnerability of VF-VLA at a modest additional inference cost, without requiring any architectural modification or auxiliary modules.
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All authors Sangwu Park, Wonjoong Kim, Yeonjun In, Sein Kim, Hongseok Kang, Chanyoung Park

Machine Learning

LLMs with in-context learning for Algorithmic Theoretical Physics

There is an increasing number of algorithmic computations in theoretical physics. These, while conceptually simple, can nevertheless be time-consuming and contain subtleties that should not be overlooked. Given the recent improvement of Large Language Models (LLM), it is natural to investigate whether LLMs equipped with a computer algebra system (CAS) runtime and sufficiently informative context can reliably carry out these algorithmic tasks. In this work, we interface Claude with Maple, and apply this framework to cosmological perturbations in modified theories of gravity. We demonstrate the current capabilities of this approach, the typical failures, and how the same can be improved. We find that a frontier LLM supplied with worked examples is able to solve most test problems.
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Machine Learning · Cross-listed from eess.SP

Learning the Channel Gain from Anywhere to Anywhere via Cross-environment Transformer Estimators

Channel-gain maps provide the channel gain between any two locations in a geographical region. They find numerous applications, from resource allocation and interference control to path planning for autonomous vehicles. Channel-gain map estimation (CGME) is considerably more challenging than conventional radio map estimation (RME) because channel-gain maps are functions over a 6-dimensional input space. This calls for specialized methods, which currently rely on the (inaccurate) radio tomographic model or require a prohibitively large number of measurements since they do not exploit any spatial structure. This paper overcomes this issue by leveraging spatial patterns that channel-gain maps exhibit across environments, as dictated by the laws of physics and typical environmental characteristics (e.g. building materials and layouts). Adopting a metalearning perspective, a transformer-based estimator is proposed to implicitly learn this common structure from measurements collected in multiple environments. This enables CGME in new environments from significantly fewer measurements (five times less in our experiments). To maximize learning efficiency, the transformer is composed with a feature map that enforces the invariances of CGME, such as those following from reciprocity. Numerical experiments corroborate the merits of the proposed estimator relative to existing methods.
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Machine Learning

Learngene Search Across Multiple Datasets for Building Variable-Sized Models

Deep learning methods are widely used under diverse resource constraints, resulting in models of varying sizes, such as the Vision Transformer (ViT) series. Deploying these models typically requires costly pretraining and finetuning. The Learngene paradigm addresses this issue by extracting transferable components, called learngenes, from a pretrained ancestry model (Ans-Net) to initialize variable-sized descendant models (Des-Nets).Existing learngene extraction methods rely on a single dataset, limiting downstream performance. To address this limitation, we propose Learngene Search Across Multiple Datasets for Building Variable-Sized Models (LSAMD). LSAMD expands the Ans-Net into a searchable super Ans-Net with dataset-specific blocks and dataset adapters (DADs). During training, LSAMD searches for an optimal architecture path for each dataset. The base blocks most frequently selected across datasets are extracted as learngenes for initializing Des-Nets.Experiments on multiple datasets show that LSAMD achieves performance comparable to pretrain-finetune methods while significantly reducing storage and training costs.
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All authors Boyu Shi, Junbo Zhou, Chang Liu, Xu Yang, Qiufeng Wang, Xin Geng

Machine Learning

Beyond Penalization: Diffusion-based Out-of-Distribution Detection and Selective Regularization in Offline Reinforcement Learning

Offline reinforcement learning (RL) faces a critical challenge of overestimating the value of out-of-distribution (OOD) actions. Existing methods mitigate this issue by penalizing unseen samples, yet they fail to accurately identify OOD actions and may suppress beneficial exploration beyond the behavioral support. Although several methods have been proposed to differentiate OOD samples with distinct properties, they typically rely on restrictive assumptions about the data distribution and remain limited in discrimination ability. To address this problem, we propose DOSER (Diffusion-based OOD Detection and Selective Regularization), a novel framework that goes beyond uniform penalization. DOSER trains two diffusion models to capture the behavior policy and state distribution, using single-step denoising reconstruction error as a reliable OOD indicator. During policy optimization, it further distinguishes between beneficial and detrimental OOD actions by evaluating predicted transitions, selectively suppressing risky actions while encouraging exploration of high-potential ones. Theoretically, we prove that DOSER is a $\gamma$-contraction and therefore admits a unique fixed point with bounded value estimates. We further provide an asymptotic performance guarantee relative to the optimal policy under model approximation and OOD detection errors. Across extensive offline RL benchmarks, DOSER consistently attains superior performance to prior methods, especially on suboptimal datasets.
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All authors Qingjun Wang, Hongtu Zhou, Hang Yu, Junqiao Zhao, Yanping Zhao, Chen Ye, Ziqiao Wang, Guang Chen

Machine Learning · Cross-listed from cs.IT

Information-theoretic Limits of Learning and Estimation

Information theory plays a central role in establishing fundamental limits on what any learning or estimation algorithm can – and cannot – achieve, regardless of computational power. In this chapter, we provide an introduction to these connections. End-of-chapter exercises makes the material suitable for both classroom use and self-study. We begin by introducing concentration inequalities along with the notions of covering and packing in metric spaces, and the associated concept of metric entropy. These tools are essential for our analysis. We then introduce the learning-theoretic framework and derive upper bounds on generalization error in terms of metric entropy, Rademacher complexity, and the VC dimension, as well as mutual information and relative entropy. Finally we discuss the minimax estimation framework and establish lower bounds on minimax risk using Fano's inequality, yielding bounds in terms of relative entropy and covering and packing numbers. This manuscript contains preprint of a chapter under consideration for inclusion in the forthcoming third edition of Cover and Thomas's Elements of Information Theory, posted with permission from Wiley. It would follow the chapter posted at arXiv:2605.02989 . The table of contents of the new edition can be found at: https://docs.google.com/document/d/1L-m4oQEJw1PJhoxBeMwrrBD8S_HmvzMEkPbYvS24980/edit?usp=sharing . For feedback, please contact abbas@ee.stanford.edu.
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Machine Learning

MOSAIC: Module Discovery via Sparse Additive Identifiable Causal Learning for Scientific Time Series

Causal representation learning (CRL) seeks to recover latent variables with identifiability guarantees, typically up to permutation and component-wise reparameterization under appropriate assumptions. However, identifiability does not imply interpretability: latent semantics are typically assigned post hoc by alignment with known ground-truth factors. This limitation is particularly acute in scientific time series, where underlying mechanisms are unknown and discovering interpretable structure is a primary goal. In contrast, scientific observations (such as residue-pair distances, climate indices, or process sensors) are inherently semantic, as they correspond to named physical quantities. This raises a key question: can the interpretability of observations be transferred to the identifiable latent space? We propose MOSAIC (Module discovery via Sparse Additive Identifiable Causal learning), a sparse temporal VAE that integrates temporal CRL identifiability with support recovery over observed variables. MOSAIC identifies latent variables via regime-conditioned temporal variation, and recovers for each latent a sparse set of associated observations through an additive decoder, yielding module-level interpretability. We show that ANOVA main-effect supports are identifiable under general smooth mixing functions, with finite-sample recovery guarantees for a group-lasso estimator and empirical evaluation of MOSAIC's entropy regularizer. Empirically, MOSAIC recovers domain-consistent variable groups across RNA molecular dynamics, solar wind, ENSO climate, the Tennessee Eastman process, and a synthetic tokamak benchmark, enabling interpretable discovery of latent mechanisms in scientific time series.
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All authors Shicheng Fan, Nour Elhendawy, Jianle Sun, Ke Fang, Kun Zhang, Yihang Wang, Lu Cheng

Machine Learning · Cross-listed from stat.ML

Permutation-preserving Functions and Neural Vecchia Covariance Kernels

We introduce a novel framework for constructing scalable and flexible covariance kernels for Gaussian processes (GPs) by directly learning the covariance structure under a regression-type parameterization induced by Vecchia approximations, using deep neural architectures. Specifically, we model kriging coefficients and conditional standard deviations, deterministic quantities that uniquely characterize the covariance, providing stable and informative learning targets. Exploiting the permutation-equivariant structure of conditioning sets in the Vecchia factorization, we derive a universal representation for permutation-preserving functions and design neural architectures that respect this symmetry, leading to improved training stability and data efficiency. The proposed approach enables expressive, non-stationary kernel learning while maintaining computational scalability, thereby bridging classical GP methodology with modern deep learning.
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Machine Learning

Bayesian Rain Field Reconstruction using Commercial Microwave Links and Diffusion Model Priors

Commercial Microwave Links (CMLs) offer dense spatial coverage for rainfall sensing but produce path-integrated measurements that make accurate ground-level reconstruction challenging. Existing methods typically oversimplify CMLs as point sensors and neglect line integration relating rainfall to signal attenuation, resulting in degraded performance under heterogeneous precipitation. In this work, we view rain field reconstruction as a Bayesian inverse problem with Diffusion Models (DMs) as high-fidelity spatial priors. We show that diffusion models better preserve key rainfall statistics compared to censored Gaussian processes. Framing rainfall estimation as a Bayesian inverse problem with a DM prior enables training-free posterior sampling using a broad family of methods, including Plug-and-Play, Sequential Monte Carlo, and Replica Exchange methods. Experiments on synthetic and real-world datasets demonstrate consistent improvements over established CML-based reconstruction baselines.
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All authors Badr Moufad, Albina Ilina, Hai Victor Habi, Salem Lahlou, Yazid Janati, Hagit Messer, Eric Moulines

Machine Learning

OpenG2G: A Simulation Platform for AI Datacenter-Grid Runtime Coordination

AI's growing compute demand and new datacenter buildouts present major capacity and reliability challenges for the electricity grid, leading to multi-year interconnection delays for new datacenters and bottlenecking AI growth. To ease this strain, datacenters increasingly offer rapid power flexibility in response to grid signals, where the datacenter can increase or decrease its power consumption by adapting its workload in real time. In order to understand the impact of large datacenters on the grid and to facilitate the design of effective coordination strategies, we build OpenG2G, a simulation platform for AI datacenter-grid runtime coordination. We show that OpenG2G is capable of answering a wide range of coordination questions by allowing users to implement and compare various control paradigms (including classic, optimization, and learning-based controllers), and quantify how AI model and deployment choices affect datacenter flexibility and coordination outcomes. This versatility is enabled by OpenG2G's modular and extensible architecture: a datacenter backend driven by real measurements of production-grade AI services, a grid backend built on high-fidelity grid simulators, and a generic controller interface that closes the loop between them. We describe the design of OpenG2G and demonstrate its usefulness through realistic grid scenarios and AI workloads.
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All authors Jae-Won Chung, Zhirui Liang, Yanyong Mao, Jiasi Chen, Mosharaf Chowdhury, Vladimir Dvorkin

Machine Learning · Cross-listed from cs.IT

When Semantic Communication Meets Queueing: Cross-Layer Latency and Task Fidelity Optimization

Semantic communication (SemCom) with learned encoder-decoder architectures enables end-to-end learning of compact task-oriented representations optimized for the wireless channel, reducing channel resources needed to convey task-relevant information and improving spectrum efficiency. This paper studies semantic image transmission over block Rayleigh fading with AWGN using a multi-task semantic autoencoder that jointly reconstructs images and predicts labels from the received waveform. The latent dimension (complex channel uses per source sample) serves as a cross-layer control variable governing semantic fidelity and channel resource usage. We characterize the resulting latency-task fidelity tradeoff: larger latent representations improve inference accuracy but increase service time, channel uses, and queueing delay. Building on this insight, we develop online semantic-rate controllers that adapt the latent dimension per update under a long-term semantic error constraint. A queue-aware drift-plus-penalty policy minimizes delay subject to an average semantic error cap, while a complementary age-aware policy minimizes time-average Age of Information (AoI). By adapting the semantic rate to congestion and fidelity requirements, the proposed framework improves spectrum utilization and enables timely semantic updates with significantly lower delay and AoI than fixed-rate baselines.
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Machine Learning

Non-Myopic Active Feature Acquisition via Pathwise Policy Gradients

Active feature acquisition (AFA) considers prediction problems in which features are costly to obtain and the learner adaptively decides which feature values to acquire for each instance and when to stop and predict. In this paper, we introduce a continuous relaxation of the acquisition process that enables non-myopic pathwise policy gradients (NM-PPG) through the full acquisition trajectory, avoiding the high variance of standard score-function policy gradients while allowing end-to-end optimization of the acquisition policy. To better align training with deployment, we develop a straight-through rollout that follows discrete feature acquisitions in the forward pass while backpropagating through the corresponding soft relaxation. We derive an AFA-specific average-case upper bound on the variance of this gradient estimator, which characterizes instability and motivates staged temperature sharpening. Experiments on both synthetic and real-world datasets demonstrate that NM-PPG yields superior performance relative to state-of-the-art AFA baselines.
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Machine Learning

Online Localized Conformal Prediction

Conformal prediction is a framework that provides valid uncertainty quantification for general models with exchangeable data. However, in the online learning and time-series settings, exchangeability is not satisfied. Existing online conformal methods, such as adaptive conformal inference (ACI), can achieve long-run validity, yet they remain inefficient under covariate heterogeneity because they rely on global calibration. We propose Online Localized Conformal Prediction (OLCP), which combines online adaptation with covariate-dependent localization to better reflect heterogeneity. To reduce sensitivity to the localization bandwidth, we further develop OLCP-Hedge, which performs bandwidth selection as an online expert aggregation problem using a constrained online convex optimization framework. Importantly, we provide coverage guarantees for both algorithms and demonstrate through simulations and real-data experiments that the proposed methods attain valid long-run coverage with narrower prediction sets than existing baselines.
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Machine Learning

Shortcut Solutions Learned by Transformers Impair Continual Compositional Reasoning

Identifying and exploiting common features across domains is at the heart of the human ability to make analogies, and is believed to be crucial for the ability to continually learn. To do this successfully, general and flexible computational strategies must be developed. While the extent to which Transformer neural network models can perform compositional reasoning has been the subject of intensive recent investigation, little work has been done to systematically understand how well these models can leverage their representations to learn new, related experiences. To address this gap, we expand the previously developed Learning Equality and Group Operations (LEGO) framework to a continual learning (CL) setting ("continual LEGO"). Using this continual LEGO experimental paradigm, we study the capability of feedforward and recurrent Transformer models to perform CL. We find that BERT, a canonical feedforward Transformer model, learns shortcut solutions that limits its ability to generalize and prevents strong forward transfer to new experiences. In contrast, we find evidence supporting the hypothesis that ALBERT, a recurrent version of BERT, learns a For loop-esque solution, which leads to better CL performance. When applying BERT and ALBERT models to a CL setting that requires composition across experiences, we find that both model families fail. Our investigation suggests that ALBERT models can have their performance drop rescued by use of training strategies that combine data across experiences, but this is not true for BERT models, where a detrimental shortcut solution becomes entrenched with initial training. Our results demonstrate that the recurrent ALBERT model may have an inductive bias better suited for CL and motivate future investigation of the interplay between Transformer architecture and computational solutions that emerge in modern models and tasks.
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