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Computer Science Machine Learning

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Saturday 2 May

Machine Learning · Cross-listed from hep-ex

Data-Driven, Geometry-Aware Optimal-Transport Calibration of Flavor Tagger

Flavor-tagging calibrations are often provided either as scale factors measured at a finite set of working points or as binned corrections to a chosen one-dimensional discriminant. However, this approach falls short of providing continuous, event-level calibration across the full multicomponent outputs of modern taggers. This limitation leads to information loss in analyses that demand high-performance flavor tagging, restricting analyses to a limited set of predefined variables. In this work, we propose a geometry-aware framework that formulates flavor-tagger calibration as an optimal transport problem on the probability simplex. The transport maps are parameterized and trained in the isometric log-ratio coordinate system. Because the quadratic Euclidean cost of Brenier transport in this coordinate system is equivalent to the Aitchison distance on the simplex, the learned map induces a minimal deformation under the Aitchison geometry. Furthermore, we extract flavor-conditional target distributions directly from control-region data using an expectation-maximization (EM) technique that simultaneously fits multiple control regions, models each flavor component with a normalizing flow, and estimates the regional mixture fractions. The extracted targets are subsequently used to learn flavor-factorized transport maps. Because the joint estimation of mixture fractions and flexible component densities admits weakly constrained directions, we further introduce a linearized feedback-operator analysis that propagates the fitted composition covariance into the extracted component densities, separating data-constrained modes from those dominated by the composition prior. The simulation-based closure study demonstrates improved closure in dedicated control regions and in independent validation mixtures.
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Machine Learning

Decision-Focused Learning via Tangent-Space Projection of Prediction Error

Decision-Focused Learning (DFL) trains predictors to improve downstream decision quality, but computing regret gradients typically requires differentiating through solvers or relying on surrogate losses, which can be computationally expensive or deviate from the true objective. We show that, under standard regularity with locally stable active constraints, the regret gradient admits a closed-form geometric characterization, equivalent to the prediction error projected onto the tangent space of active constraints, scaled by local curvature. This reveals that regret gradients can be obtained by filtering decision-irrelevant components from the MSE gradient, providing a simpler and more direct alternative to existing approaches. Based on this, we propose PEAR (Projected Error As Regret-gradient), which computes regret gradients via a reduced linear system over active constraints, avoiding differentiation through solver iterations or additional optimization solves. Experiments on LP benchmarks and a real-world QP task show that PEAR achieves the best decision quality among all baselines while being the most computationally efficient, with gains that persist under constraint shifts.
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Machine Learning

PACE: Parameter Change for Unsupervised Environment Design

Unsupervised Environment Design (UED) offers a promising paradigm for improving reinforcement learning generalization by adaptively shaping training environments, but it requires reliable environment evaluation to remain effective. However, existing UED methods evaluate environments using indirect proxy signals such as regret, value-based errors, or Monte Carlo, which suffer from bias, high variance, or substantial computational overhead and fail to reflect agent realized learning progress. To address these limitations, we propose Parameter Change Environment Design (PACE), which evaluates an environment through the policy parameter change induced by training on that environment, directly grounding environment selection in realized learning progress. Specifically, PACE assigns environment value using a first-order approximation of the policy optimization objective, where the improvement induced by an environment is proportional to the squared L2 norm of the corresponding parameter update, enabling low-variance and computation-efficient evaluation without additional rollouts. Experiments on MiniGrid and Craftax show that PACE consistently outperforms established UED baselines, achieving higher IQM and smaller Optimality Gap on OOD evaluations, including an IQM of 96.4% and an Optimality Gap of 17.2% on MiniGrid.
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All authors Fang Yuan, Quanjun Yin, Siqi Shen, Yuxiang Xie, Junqiang Yang, Long Qin, Junjie Zeng, Qinglun Li

Machine Learning

Model-Based Proactive Cost Generation for Learning Safe Policies Offline with Limited Violation Data

Learning constraint-satisfying policies from offline data without risky online interaction is crucial for safety-critical decision making. Conventional methods typically learn cost value functions from abundant unsafe samples to define safety boundaries and penalize violations. However, in high-stakes scenarios, risky trial-and-error is infeasible, yielding datasets with few or no unsafe samples. Under this limitation, existing approaches often treat all data as uniformly safe, overlooking safe-but-infeasible states - states that currently satisfy constraints but inevitably violate them within a few steps - leading to deployment failures. Drawing inspiration from the concept of knowledge-data integration, we leverage large language models (LLMs) to incorporate natural language knowledge into the policy to address this challenge. Specifically, we propose PROCO, a model-based offline safe reinforcement learning (RL) framework tailored to datasets largely free of violations. PROCO first learns a dynamics model from offline data and constructs a conservative cost function by grounding natural-language knowledge of unsafe states in LLMs, enabling risk estimation even without observed violations. Using the cost function and learned model, PROCO performs model-based rollouts to synthesize diverse counterfactual unsafe samples, supporting reliable feasibility identification and feasibility-guided policy learning. Across a range of Safety-Gymnasium tasks with exclusively safe or minimally risky training data, PROCO integrates seamlessly with a variety of offline safe RL algorithms and consistently demonstrates reduced constraint violations and improved safety performance compared to both the original methods and other behavior cloning baselines.
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All authors Ruiqi Xue, Lei Yuan, Kainuo Cheng, Jing-Wen Yang, Yang Yu

Machine Learning · Cross-listed from cs.CL

MAD-OPD: Breaking the Ceiling in On-Policy Distillation via Multi-Agent Debate

On-policy distillation (OPD) trains a student on its own trajectories under token-level teacher supervision, but existing methods are capped by a single-teacher capability ceiling: when the teacher errs, the student inherits the error. OPD also remains largely unexplored in agentic tasks, where per-step errors compound across long trajectories and destabilize training. We propose MAD-OPD (Multi-Agent Debate-driven On-Policy Distillation), which breaks this ceiling by recasting the distillation teacher as a deliberative collective of teachers that debate over the student's on-policy state; the debate produces an emergent collective intelligence that supplies token-level supervision, with each teacher's contribution weighted by its post-debate confidence. To extend OPD to agentic tasks, we also introduce On-Policy Agentic Distillation (OPAD), which adds step-level sampling to stabilize training under multi-step error compounding. We additionally derive a task-adaptive divergence principle, selecting JSD (Jensen-Shannon divergence) for agentic stability and reverse KL (Kullback-Leibler) divergence for code generation, and verify it both theoretically and empirically. Across six teacher-student configurations (Qwen3 and Qwen3.5; 1.7B-14B students, 8B-32B teachers) and five agentic and code benchmarks, MAD-OPD ranks first across all six configurations; on the 14B+8B$\to$4B setting it lifts the agentic average by $+2.4\%$ and the code average by $+3.7\%$ over the stronger single-teacher OPD.
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All authors Jianze Wang, Ying Liu, Jinlong Chen, Xuchun Hu, Qilong Zhang, Yu Cao, Jun Wang, Hua Yang, Yong Xie, Qianglong Chen

Machine Learning · Cross-listed from cs.CV

The Perceptual Bandwidth Bottleneck in Vision-Language Models: Active Visual Reasoning via Sequential Experimental Design

Visual perception in modern Vision-Language Models (VLMs) is constrained by a perceptual bandwidth bottleneck: a broad field of view preserves global context but sacrifices the fine-grained details required for complex reasoning. We argue that high-resolution visual reasoning is therefore not only semantic reasoning but also task-relevant evidence acquisition under limited perceptual bandwidth. Inspired by active vision and information foraging, we formalise this process as sequential Bayesian optimal experimental design (S-BOED), where an agent decides which visual evidence to acquire before answering. Since exact Bayesian inference is intractable in continuous gigapixel spaces, we derive a tractable coverage–resolution objective as a proxy for task-relevant information gain. We instantiate this framework with FOVEA, a training-free procedure that refines VLM crop proposals through evidence-oriented probing. Experiments on high-resolution benchmarks show consistent gains over direct and ReAct-style baselines, with particularly strong improvements in search-dominated remote-sensing settings.
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All authors Anjie Liu, Ziqin Gong, Yan Song, Yuxiang Chen, Xiaolong Liu, Hengtong Lu, Kaike Zhang, Chen Wei, Jun Wang

Machine Learning

Robust Parameter Learning for Uncertain MDPs

Learning-based approaches to verifying unknown Markov decision processes (MDPs) often employ uncertain MDPs. These models use, for example, confidence intervals to capture transition uncertainty and allow synthesis of policies that are robust to this uncertainty. However, this approach typically quantifies uncertainty independently for individual transition probabilities, ignoring dependencies due to shared latent quantities. We propose to learn such models using parametric MDPs (pMDPs), where transition probabilities are expressions over a set of parameters. We project statistical uncertainty from empirical transition frequencies onto the pMDP's parameter space, yielding a probably approximately correct (PAC) uncertainty model for the underlying MDP that respects the algebraic dependencies between transitions. The resulting models are algorithmically challenging to solve, so we propose a hierarchy of sound polytopic outer approximations of the induced confidence set. We implement and evaluate our approach, demonstrating substantially tighter uncertainty estimates than classical interval-based uncertain MDP learning techniques.
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Machine Learning · Cross-listed from stat.ML

Mean Testing under Truncation beyond Gaussian

We characterize the fundamental limits of high-dimensional mean testing under arbitrary truncation, where samples are drawn from the conditional distribution $P(\cdot \mid S)$ for an unknown truncation set $S$ that may hide up to an $\varepsilon$-fraction of the probability mass. For distributions with $p$-th directional moments of magnitude at most $\nu_{P,p}$, truncation induces a bias of order $O(\nu_{P,p}\varepsilon^{1-1/p})$. This bias creates a sharp information-theoretic detectability floor: when the signal $\alpha$ falls below this threshold, the null and alternative hypotheses are indistinguishable even with infinite data. Above this floor, we prove that a simple second-order test achieving near-optimal sample complexity $n = O\!\left(\frac{\|\Sigma_P\|}{(\alpha-4\nu_{P,p}\varepsilon^{1-1/p})^2}\sqrt{d}\right)$. We further identify a structural escape from this finite-moment bias barrier. Under a directional median regularity assumption, truncation bias improves to linear order $O(\varepsilon)$. This reveals an intermediate regime in which estimation requires $\Theta(d)$ samples for uniform recovery, while testing recovers the classical $\Theta(\sqrt d)$ rate once truncation bias is eliminated. Together, our results provide a unified framework for mean testing under truncation, connecting finite-moment, sub-Gaussian, and median-regular structural regimes.
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Machine Learning · Cross-listed from cs.AI

Segment-Aligned Policy Optimization for Multi-Modal Reasoning

Existing reinforcement learning approaches for Large Language Models typically perform policy optimization at the granularity of individual tokens or entire response sequences. However, such formulations often misalign with the natural step-wise structure of reasoning processes, leading to suboptimal credit assignment and unstable training in multi-modal reasoning tasks. To bridge this gap, we propose Segment-Aligned Policy Optimization (SAPO), a novel reinforcement learning paradigm that treats coherent reasoning steps, rather than tokens or full sequences as fundamental units of policy update. SAPO introduces a step-wise Markov decision process abstraction over reasoning segments, accompanied by segment-level value estimation, advantage computation, and importance sampling mechanisms that are semantically aligned with reasoning boundaries. Experiments on representative reasoning benchmarks demonstrate that SAPO consistently outperforms token-level and sequence-level policy optimization methods, achieving significant accuracy improvements while exhibiting better training stability and value estimation consistency. Our work underscores the importance of aligning reinforcement learning updates with the intrinsic structure of reasoning, paving the way for more efficient and semantically grounded policy optimization in complex reasoning tasks. Codes and models will be released to ensure full reproducibility.
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All authors Lei Gao, Zhuoming Li, Mengxi Jia, Jiakang Yuan, Hongbo Sun, Hao Sun, Xuelong Li

Machine Learning · Cross-listed from cs.CV

Rethinking Model Selection in VLM Through the Lens of Gromov-Wasserstein Distance

Vision-Language Models (VLMs) have enhanced traditional LLMs with visual capabilities through the integration of vision encoders. While recent works have explored various combinations of vision encoders and LLMs, there still lacks a principled understanding of what makes a vision encoder suitable for VLM alignment. In this paper, we systematically investigate this question via comprehensive experiments on a curated collection of 19 pre-trained vision encoders from diverse sources. We first demonstrate that common practices, such as choosing encoders with the largest size or highest zero-shot accuracy, consistently fail to identify optimal models. In fact, these metrics show only weak to moderate correlation with VLM performance. This intriguing finding begs a fundamental question: What factors of vision-encoders matter in VLM? Through comprehensive analysis, we identify that the structural similarity across modalities plays a crucial but previously overlooked role in vision-encoder selection, which we measure using the Gromov-Wasserstein distance as a proxy. From a theoretical perspective, we show that the learnability of cross-modality mapping can be provably associated with the Gromov-Wasserstein distance. Empirical verification on 60+ full VLM training runs shows that our proposed inference-only metric performs significantly better than alternative model selection strategies and exhibits a much stronger correlation with final VLM performance, thereby enabling efficient and effective prediction of VLM performance before full training.
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All authors Muyang Li, Yucheng Liu, Jianbo Ma, Elliot Osborne, Bo Han, Tongliang Liu

Machine Learning · Cross-listed from quant-ph

Decomposing Gradient Suppression in Barren Plateaus: Activity, Sign Organization, and Coupling

Barren plateaus (BPs) are conventionally characterized by suppressed gradient variance, but this aggregate description does not reveal how the loss of gradient signal is composed across Hamiltonian terms. We introduce a term-resolved framework that decomposes the second moment of the gradient exactly into pre-cancellation activity, sign organization, and their statistical coupling. A conditional random-sign model, which preserves termwise magnitudes while treating signs as independent and symmetric, provides exact references for organization and coupling. We apply the framework to a hardware-efficient ansatz (HEA) and a Hamiltonian variational ansatz (HVA) for the transverse-field and longitudinal-field Ising models. For the HEA, finite-size suppression of the second moment is carried almost entirely by decaying activity, accounting for 96.5-98.9% of the fitted log-slope across tested depths in both Hamiltonians, while organization shows no systematic scaling and coupling remains consistent with its random-sign reference. For the HVA, activity and organization instead grow with system size and contribute comparably to the second-moment scaling. A bias-corrected mean-gradient check is consistent with zero in every tested condition, so these results carry over approximately to the gradient variance. Microscopic sign-alignment analysis further shows sector-structured organization in the HVA, whereas the HEA exhibits only weak residual sign structure that does not accumulate into net signed organization. These patterns are reproduced across both Hamiltonians, providing a term-resolved characterization of BP-relevant gradient suppression beyond aggregate gradient statistics.
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2605.01319 · 2 May · Substantially revised and retitled (previously "Barren Plateaus as Destructive Interference: A Diagnostic Framework and Implications for Structured Ansatzes"). Adds an exact three-factor decomposition of the gradient second moment, a microscopic sign-alignment analysis, and replication on the longitudinal-field Ising model

Machine Learning

The Partial Testimony of Logs: Evaluation of Language Model Generation under Confounded Model Choice

Offline evaluation of language models from usage logs is biased when model choice is confounded: the same user-side factors that influence which model is used can also influence how its output is judged, so raw comparisons of logged scores mix self-selected populations rather than estimating a common quantity of interest. A small randomized experiment can break this bias by overriding model choice, but in practice such experiments are scarce and costly. We study a three-source design that combines a large confounded observational log (OBS) for scale, a small randomized experiment (EXP) for unconfounded scoring, and an offline simulator (SIM) that replays candidate models on cached contexts. Our main result is an identification theorem showing that the randomized experiment and the simulator are together enough to recover causal model values; the observational log enters only afterward, to reduce estimation error rather than to make the causal comparison valid. Six estimator families are evaluated in a controlled semi-synthetic validation and in two real-task cached benchmarks for summarization and coding. No family dominates every regime; relative performance depends on the amount of unbiased EXP supervision and on how closely the target reward aligns with OBS-derived structure.
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Machine Learning

GraphSculptor: Sculpting Pre-training Coreset for Graph Self-supervised Learning

Graph self-supervised learning typically relies on large-scale unlabeled datasets, heavily inflating computational costs. However, empirical evidence suggests that these datasets contain substantial redundancy-our analysis reveals that uniformly subsampling 50% of graphs retains over 96% of downstream performance. To exploit this redundancy, we introduce GraphSculptor for pre-training coreset construction. Unlike methods dependent on additional training-time signals or limited solely to topological statistics, GraphSculptor provides a label-free solution that constructs coresets via two complementary perspectives: intrinsic structure and contextual semantics. Concretely, structural diversity is quantified using intrinsic graph statistics, yielding a structural feature vector for each graph, while semantic diversity is captured by utilizing a pre-trained language model to encode descriptions generated via graph-to-text. GraphSculptor integrates these signals into a unified metric space and performs cluster-aware selection to preserve joint structural-semantic diversity. We further derive a theoretical bound on the loss gap between coreset and full-data pre-training, offering theoretical motivation for our selection formulation. Extensive experiments demonstrate that GraphSculptor effectively sculpts the dataset: a 10% coreset achieves 99.6% of full-data performance while reducing pre-training time by nearly 90%, offering a scalable solution for data-efficient graph pre-training.
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All authors Chuang Liu, Zelin Yao, Xueqi Ma, Luzhi Wang, Mukun Chen, Pinghua Xu, Wenbin Hu

Machine Learning · Cross-listed from physics.optics

Machine Learning Enhanced Laser Spectroscopy for Multi-Species Gas Detection in Complex and Harsh Environments

Laser absorption spectroscopy (LAS) is a well-established technique for non-intrusive measurement of gas species in combustion and atmospheric environments, but conventional methods struggle with multi-species mixtures under dynamic or interference-laden conditions. Overlapping spectral features, noise, and incomplete reference data limit reliability when unknown or weakly absorbing species are present. This dissertation develops diagnostics combining LAS with machine learning (ML) to address these limitations. Deep denoising autoencoders (DDAEs) are applied to shock-tube measurements during high-speed hydrocarbon pyrolysis, improving signal fidelity and detection limits for trace species. A structured unsupervised framework, HT-SIMNet, then mitigates interference from unknown species without full calibration data, using spectral augmentation and a Noise2Noise-inspired scheme to isolate species in reactive systems. Where reference spectra are unavailable, UnblindMix, an autoencoder-based blind source separation method, reconstructs concentrations and spectral signatures directly from mixture data, validated on mixtures of up to eight components. To recover weakly absorbing species masked by broader absorbers, a feature-engineering method based on first derivatives and convolutions selectively highlights minor species. Finally, VOC-certifire combines randomized smoothing with Voigt-based spectral perturbation to provide certifiable classification of volatile organic compounds under varying conditions. All techniques are experimentally validated and benchmarked. The integration of spectroscopic hardware with ML offers a path toward real-time, interference-resilient, reference-free gas detection for combustion science, environmental monitoring, and industrial safety.
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Machine Learning

GA-VisAgent: A Multi-Agent application for code generation and visualization in interactive learning

Geometric Algebra (GA) presents challenges to learners due to its highly abstract mathematical structure and complex operational rules, as translating algebraic manipulations into concrete geometric interpretations is a non-intuitive process when developing related code. Currently, some existing GA software packages rely on manually written scripts for code generation and visualization, but their high learning curve hinders widespread adoption. Meanwhile, methods based on Large Language Models (LLMs) often produce logical errors when generating specific GA scripts, such as GAALOPScript, resulting in generally low accuracy. To address these issues, this study proposes GA-VisAgent – a multi-agent interactive learning application for GA code generation and visualization – building upon a Geometric algebra large language model (GAGPT). Integrating task planning mechanisms with ReAct reasoning strategies, GA-VisAgent can decompose complex operations into five standardized subtasks, including core operations like geometric products, rotations, and reflections. It supports natural language and mathematical formulas as input to automatically generate executable code, accompanied by interactive visualizations to aid user comprehension. Experimental results show that GA-VisAgent achieved a 90% code generation success rate across 40 typical Conformal GA tasks, representing a 70% improvement over GPT-4o. This application introduces an extensible new paradigm for teaching GA and developing visualization tools for related mathematical concepts. The online service for this project will be available at http://gagis.cn/gacrac.
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All authors Wang Jian, Zhou Jianbo, Xiong Yuhao, Liu Zhenxia, Luo Wen, Yuan LinWang, Yu ZhaoYuan

Machine Learning

Autonomous Drift Learning in Data Streams: A Unified Perspective

In the pursuit of autonomous learning systems, the foundational assumption of stationarity, the premise that data distributions and model behaviors remain constant, is fundamentally untenable. Historically, the research community has addressed non-stationary environments almost exclusively under the scope of concept drift, focusing primarily on temporal shifts in streams. However, as learning systems become increasingly autonomous and complex, merely adapting to temporal non-stationarity is no longer sufficient. Evolving beyond this traditional perspective, we propose a novel, three-dimensional taxonomy that systematizes the field based on the operational state of the system. First, time stream drift distinguishes between stochastic arbitrary patterns and structural rhythmic dynamics. Second, data stream drift disentangles shifts in feature representations, identified as representation drift, from changes in underlying semantics, recognized as semantic drift. Third, model stream drift characterizes the internal endogenous divergence of learning systems through the lenses of sequential plasticity, decentralized heterogeneity, and policy instability. Based on this framework, we systematically review 193 representative studies and identify key open challenges. By bridging the fragmented paradigms of drift adaptation, continual learning, and temporal generalization, this survey outlines a roadmap for building self-evolving intelligent systems capable of learning autonomously through continuous change.
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Machine Learning

Congestion-Aware Dynamic Axonal Delay for Spiking Neural Networks

Spiking Neural Networks (SNNs) are widely regarded as an energy-efficient paradigm for modeling and processing temporal and event-driven information. Incorporating delays in SNNs has been proven to be an effective mechanism for improving spike alignment in event-driven tasks. However, existing delay learning approaches predominantly assign static delays to individual synapses, resulting in a large number of delay parameters and limited adaptability to input-dependent activity dynamics. To this end, we propose a Congestion-Aware Dynamic Axonal Delay (CADAD) mechanism, which decomposes the delay into a channel-wise static base delay for temporal structuring and a global, activity-conditioned shift that dynamically regulates the state update rate under varying spike intensities. The delay parameters are learned using differentiable linear interpolation and discretized at inference time, preserving the benefits of dynamic delay modulation while incurring only minimal additional cost. Experiments on speech benchmarks, including the Spiking Heidelberg Dataset, Spiking Speech Commands, and Google Speech Commands, demonstrate that introducing congestion-aware delays into synaptic signal transmission effectively improves accuracy on temporal tasks, notably achieving 93.75% accuracy on SHD, 80.69% accuracy on SSC, and 95.58% on GSC-35, while reducing the parameter count by approximately 50% compared to state-of-the-art delay-based methods with the same architecture.
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All authors Dewei Bai, Hongxiang Peng, Yunyun Zeng, Ziyu Zhang, Hong Qu

Machine Learning

A Theory of Saddle Escape in Deep Nonlinear Networks

In deep networks with small initialization, training can exhibit long plateaus separated by sharp feature-acquisition transitions. Whereas shallow nonlinear networks and deep linear networks are well studied, extending these analyses to deep nonlinear networks remains challenging. We derive exact scalar and matrix identities for the imbalance of layer weight norms, holding for any smooth activation and any differentiable loss, and use the resulting approximate balance law to control the full finite-width gradient flow through its first escape. This gives a scaling law in the escape time: with a prefix of $r$ layers initialized at the bottleneck scale $\varepsilon$, the escape time is $\Theta(\Gamma^{-1})$ for $r=1$, $\Theta(\Gamma^{-1}\log(1/\varepsilon))$ for $r=2$, and $\Theta(\Gamma^{-1}\varepsilon^{-(r-2)})$ for $r\geq3$, where $\Gamma=\|\mathbb{E}[yx]\|$. We further show that a multimode teacher leaves the saddle once rather than in stages: with scalar output, all mode overlaps grow through a common amplitude, with relative weights fixed in advance. We find close agreement between our theory and experiment.
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Machine Learning

Continuous Temporal Representations of Event-Based Signals via Interference-Based Wave Modeling

Spatio-temporal signals arising from event-driven biological processes, such as surface electromyography (sEMG), exhibit asynchronous and highly structured activation patterns that are challenging to model using conventional discrete or purely real-valued representations. In this work, we propose a continuous temporal modeling framework based on interference-based wave representations. The approach maps event-like input signals into a complex-valued latent wave field, where temporal structure is encoded through phase modulation and interactions between latent components. By projecting the resulting wave field onto an energy domain, the model induces structured activation patterns that capture both temporal localization and relational dependencies within finite observation windows, without relying on explicit recurrence or causal state propagation. The proposed formulation is particularly suited for event-driven biosignals, where continuous representations enable efficient gradient-based optimization and robust feature extraction. In particular, the method is designed to support learning from sEMG data for downstream control tasks in biomechanical systems, such as prosthetic devices and exoskeletons. Experimental results demonstrate that the proposed interference-based wave model provides improved representation quality compared to purely real-valued representations, while maintaining computational efficiency suitable for practical deployment.
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Machine Learning · Cross-listed from cs.SE

FeedbackLLM: Metadata driven Multi-Agentic Language Agnostic Test Case Generator with Evolving prompt and Coverage Feedback

Traditional approaches to test case generation often involve manual effort and incur significant computational overhead. Additionally, these approaches are not scalable, and hence, unsuitable for complex software systems. Recently, Large Language Models (LLMs) have been applied to software testing. However, single-shot prompt engineering-based approaches tend to hallucinate and generate redundant test cases, resulting in fewer branches. To handle the above-mentioned limitations, in this paper, we propose FeedbackLLM, a novel automated language-agnostic test case generation framework based on tightly coupled two-stage approach. In the first stage, FeedbackLLM extracts the input constraints by parsing source code and generates the possible test cases. The quality of the test cases is evaluated in the second stage by the following two specialized LLM feedback agents: (i) Line Feedback Agent: extracts the metadata related to missed line executions and (ii) Branch Feedback Agent: extracts the metadata of the unexecuted branch conditions. The above agents operate in a two-stage process, communicating in tandem, and this procedure is repeated for k-steps. Further, we also introduced a redundancy prevention cache to avoid duplicate API requests and avoid unnecessary execution cycles. The performance of the proposed architecture is evaluated on the standard benchmark programs related to C and Python programs. FeedbackLLM demonstrated more line and branch coverage than baseline tools while scaling linearly in execution time.
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All authors Kushal Jasti, Tejamani Prashanth Sahu, Rishitha Pentyala, Muvvala Mohit, Vivek Yelleti

Machine Learning · Cross-listed from cs.DS

New Bounds for Kernel Sums via Fast Spherical Embeddings

We study query time bounds for the fundamental problem of estimating the kernel mean $\frac1{|X|}\sum_{x\in X}\mathbf{k}(x,y)$ of a query $y$ in a finite dataset $X\subset\mathbb{R}^d$ up to a prescribed additive error $\varepsilon$. The best known bounds for the Gaussian kernel are $O(d/\varepsilon^2)$, $\widetilde O(d+1/\varepsilon^4)$, and $\widetilde O(d+\Delta^2/\varepsilon^2)$, where $\Delta$ is the diameter of a region containing the points. We prove the new bound $\tilde O(d+\varepsilon\Delta^2+1/\varepsilon^3)$, which improves over the previous ones in regimes with small error $\varepsilon$ and intermediate diameter $\Delta$. At the center of our proof is a new fast spherical embedding theorem in the sense introduced by Bartal, Recht and Schulman (2011), which limits the embedded data diameter while preserving local Euclidean distances and avoiding “distance collapse” at larger scales. This fast embedding theorem may be of independent interest.
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Machine Learning

Activation Compression in LLMs: Theoretical Analysis and Efficient Algorithm

Training large language models (LLMs) is highly memory-intensive, as training must store not only weights and optimizer states but also intermediate activations for backpropagation. While existing memory-efficient methods largely focus on gradients and optimizer states, activation compression is less well established due to the lack of LLM-tailored theory and guarantees. In this work, we develop a theoretical framework showing that activation compression is safe for linear operators when activation compression is unbiased, but problematic for nonlinear ones. We further derive gradient variance bound and establish convergence guarantees for applying activation compression to all linear operators under the standard $L$-smoothness assumption, showing that it does not change the convergence rate. Guided by the theory, we propose an activation-gradient co-compression method that reuses low-rank activation factors to compress linear-layer gradients without extra computation or additional gradient error. We conduct extensive experiments on Qwen and LLaMA models using a pretraining benchmark and multiple fine-tuning benchmarks to validate our theory and demonstrate competitive performance of our method in both accuracy and compression efficiency. We provide our code in the supplementary material for reproducibility.
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All authors Wen-Da Wei, Han-Bin Fang, Yang-Di Liu, Jiang-Xin Shi, James Kwok, Yu-Feng Li

Machine Learning

$S^3$-R1: Learning to Retrieve and Answer Step-by-Step with Synthetic Data

Reinforcement learning (RL) post-training has enabled newer capabilities in models, such as agentic tool-use for search. However, these models struggle primarily due to limitations with sparse outcome-based rewards and a lack of training data that encapsulates questions of differing hardness, which results in models not performing deeper searches with tools to collect evidence for question-answering. To address these limitations, we introduce S^3-R1 (Synthetic data and stabilized Search R1), a framework that couples a data-centric approach with denser learning signals. We first develop a synthetic generation and curation pipeline that programmatically derives diverse, multi-hop questions from existing documents. This pipeline incorporates a retrieval-based verification step to specifically isolate questions of intermediate difficulty. We then pair this expanded training set with a reward structure that evaluates both intermediate search quality and the correctness of the final answer. This setup directly mitigates the credit assignment problems inherent to sparse rewards. Our evaluations show that S^3-R1 outperforms existing baselines by learning more effective search and synthesis strategies, yielding up to a 10% improvement in robust generalization on out-of-domain datasets.
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All authors Harsh Goel, Akhil Udathu, Susmija Jabbireddy, Pradnesh Kalkar, Atharva Parulekar

Machine Learning

Breaking the Computational Barrier: Provably Efficient Actor-Critic for Low-Rank MDPs

Reinforcement learning (RL) is a fundamental framework for sequential decision-making, in which an agent learns an optimal policy through interactions with an unknown environment. In settings with function approximation, many existing RL algorithms achieve favorable sample complexity, but often rely on computationally intractable oracles. In this paper, we use supervised learning as a computational proxy to establish a clear hierarchy of commonly adopted RL oracles under low-rank Markov Decision Processes (MDPs). This hierarchy shows that policy evaluation is the most computationally efficient oracle, provided that supervised learning can be efficiently solved. Motivated by this observation, we propose a novel optimistic actor-critic algorithm that relies solely on the policy evaluation oracle. We prove that our algorithm outperforms the existing sample complexity guarantees for low-rank MDPs while avoiding computationally expensive planning or optimization oracles commonly assumed in prior works. We further extend our theoretical results to approximately low-rank MDPs and demonstrate that this setting captures a broad class of real-world environments. Finally, we validate our theoretical results with experiments on several standard Gym environments.
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All authors Ruiquan Huang, Donghao Li, Yingbin Liang, Jing Yang

Machine Learning

Rhamba: Region-Aware Hybrid Attention-Mamba Framework for Self-Supervised Learning in Resting-State fMRI

Self-supervised pretraining is promising for large-scale neuroimaging, yet the impact of region-aware masking and hybrid sequence modeling remains underexplored. In this work, we introduce Rhamba, a region-aware pretraining framework that integrates anatomically guided masking with hybrid Attention-Mamba architectures for resting state functional magnetic resonance imaging (fMRI) analysis. Models were pretrained on the ABIDE dataset using region-aligned patch embeddings and three masking strategies (Any, Majority, and Pure) with increasing spatial specificity. We evaluated four architectural variants: a Mamba only model, an Alternate architecture with interleaved Mamba and Attention blocks, and two hybrid encoder-decoder configurations (Attention-Mamba (AM) and Mamba-Attention (MA)). The pretrained models were fine-tuned on downstream classification tasks using the COBRE and ADHD-200 datasets for schizophrenia and attention-deficit/hyperactivity disorder discrimination. We employed Integrated Gradients, an explainable AI method, to identify the brain regions contributing to model predictions. Masking strategy strongly influenced reconstruction behavior, with reconstruction loss following a consistent ordering (Any > Majority > Pure). However, this trend did not directly translate into downstream performance, where differences were modest and dataset-dependent. The hybrid architecture with the MA configuration achieved the highest average AUROC across both datasets, and Rhamba outperformed state-of-the-art methods in comparative evaluation. Region-wise analysis showed that peak performance depends on the interaction between masking strategy and architecture rather than a single dominant configuration. Overall, Rhamba offers a flexible framework for balancing interpretability, scalability, and performance in large-scale fMRI representation learning.
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All authors Pankaj Pandey, Ruthwik Reddy Doodipala, Pratheek Eranki, Carolina Torres-Rojas, Manob Jyoti Saikia, Ranganatha Sitaram

Machine Learning

CombinationTS: A Modular Framework for Understanding Time-Series Forecasting Models

Recent progress in time-series forecasting has led to rapidly increasing architectural complexity, yet many reported State-of-the-Art gains are statistically fragile or misattributed. We argue that progress requires a shift from model selection to modular attribution, identifying which components truly drive performance. We propose CombinationTS, a self-contained probabilistic evaluation framework that decomposes forecasting models into orthogonal modules–Input Transformation, Embedding, Encoder, Decoder, and Output Transformation–and evaluates them under a shared evaluation condition space. By quantifying each component via marginalized performance ($\mu$) and stability ($\sigma$), CombinationTS enables robust attribution beyond fragile point estimates. Through large-scale paired evaluation, we uncover the Identity Paradox: once the data view (Embedding) is well-designed, a parameter-free Identity Encoder often matches or outperforms complex backbones. We further show that explicit structural priors introduced via Input Transformations yield a more favorable performance-stability trade-off than increasing Encoder complexity, establishing a principled baseline for architectural necessity.
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All authors Xiaorui Wang, Fanda Fan, Chenxi Wang, Yuxuan Yang, Rui Tang, Kuoyu Gao, Simiao Pang, Yuanfeng Shang, Zhipeng Liu, Wanling Gao, Lei Wang, Jianfeng Zhan

Machine Learning

Attention Sinks in Massively Multilingual Neural Machine Translation:Discovery, Analysis, and Mitigation

Cross-attention patterns in neural machine translation (NMT) are widely used to study how multilingual models align linguistic structure. We report a systematic artifact in cross-attention analysis of NLLB-200 (600M): non-content tokens - primarily end-of-sequence tokens, language tags, and punctuation - capture 83 percent to 91 percent of total cross-attention mass. We term these "attention sinks," extending findings from LLMs [Xiao et al., 2023] to NMT cross-attention and identifying a causal mechanism rooted in vocabulary design rather than position bias. This artifact causes raw metrics to underestimate content-level similarity by nearly half (36.7 percent raw vs. 70.7 percent filtered), rendering uncorrected analyses unreliable. To address this, we validate a content-only filtering methodology that removes non-content tokens and renormalizes the distribution. Applying this to 1,000 parallel sentences across African languages (Swahili, Kikuyu, Somali, Luo) and non-African benchmarks (German, Turkish, Chinese, Hindi), we confirm the artifact is universal and recover masked linguistic signals: a 16.9 percentage-point gap between teacher-forcing and generation modes, clear language-family clustering in attention entropy, and a hidden Somali paradox linking SOV word order to monotonic alignment. We release our filtering toolkit and corrected datasets to support reproducible interpretability research on multilingual NMT.
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Machine Learning

Arbitrarily Conditioned Hierarchical Flows for Spatiotemporal Events

Events in spatiotemporal systems are ubiquitous, yet modeling their complex distributions remains challenging. Existing point process models often rely on strong structural assumptions and are typically limited to autoregressive, event-by-event prediction. As a result, they struggle to support broader inference tasks such as inverse inference, trajectory reconstruction, and recovery of missing event locations. We introduce Arbitrarily Conditioned Hierarchical Flows (ARCH), a hierarchical flow matching framework for spatiotemporal event modeling. ARCH is expressive enough to capture complex event distributions while enabling tractable and accurate computation of conditional intensities, which quantify instantaneous event risk. Built on a history-encoder-generative-decoder architecture, ARCH introduces a hybrid masking strategy for flexible conditioning on arbitrary observed events. This enables a unified treatment of forecasting, inverse inference, and partial trajectory recovery within a single framework. Experiments on synthetic and real-world datasets show that ARCH consistently outperforms existing baselines across both prediction and conditional inference tasks.
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All authors Keyan Chen, Qiwei Yuan, Zhitong Xu, Bin Shen, Shandian Zhe

Machine Learning

Local Hessian Spectral Filtering for Robust Intrinsic Dimension Estimation

While diffusion models enable new approaches for estimating Local Intrinsic Dimension (LID), existing methods fail in high-dimensional spaces where noise from vast normal directions overwhelms the tangent signal. We propose Local Hessian Spectral Dimension (LHSD), which resolves this by applying spectral filtering to the log-density Hessian, explicitly cutting off large eigenvalues associated with normal directions to count zero-curvature tangent directions. Implemented using Stochastic Lanczos Quadrature (SLQ), LHSD avoids full Hessian construction, achieving linear scalability with dimension $D$. Experiments on synthetic and real data confirm LHSD's superior robustness and its utility in detecting memorization in large-scale diffusion models. The code is available at github.com/geosada/LHSD
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Machine Learning

Focus and Dilution: The Multi-stage Learning Process of Attention

Transformer-based models have achieved remarkable success across a wide range of domains, yet our understanding of their training dynamics remains limited. In this work, we identify a recurrent focus-dilution cycle in attention learning and provide a rigorous explanation in a one-layer Transformer setting for Markovian data via gradient-flow analysis. Using stage-wise linearization around critical points, we show that a single focus-dilution cycle can be decomposed into a sequence of distinct stages. First, embedding and projection rapidly condense to a rank-one structure, while attention parameters remain effectively frozen. Then, the attention parameters begin to increase, inducing a frequency-driven focus toward high-frequency tokens. As attention continues to evolve, it generates next-order perturbations in embeddings, leading to a mass-redistribution mechanism that progressively dilutes this focus. Finally, small asymmetries among low-frequency tokens lift a degenerate critical point, opening new embedding directions and initiating the next cycle. Experiments on synthetic Markovian data as well as WikiText and TinyStories corroborate the predicted stages and cyclical dynamics.
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All authors Zheng-An Chen, Pengxiao Lin, Zhi-Qin John Xu, Tao Luo