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Computer Science Machine Learning

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Monday 6 July

Machine Learning

A Physics-Regulated Neural Framework for Learning 3D Grain Growth Dynamics

Grain growth is governed by the reduction in grain boundary energy and exhibits well-established statistical scaling laws. Developing data-driven surrogates that preserve these physical invariants while remaining computationally scalable remains challenging, especially in 3D. We present 3D-PRIMME (Physics-Regulated Interpretable Machine Learning for Microstructure Evolution) for learning three-dimensional grain growth dynamics. The model is trained using only two consecutive time steps yet accurately reproduces the linear coarsening law and preserves topological statistics over extended time scales. Despite being trained on a $100^3$ grid points with 512 grains, the learned evolution operator is applied to domains up to $1024^3$ grid points with 550000 grains without retraining, maintaining consistent kinetics and grain topology across orders-of-magnitude increases in system size. These results demonstrate that 3D-PRIMME learns a scale-independent and temporally stable local evolution rule, enabling efficient and robust large-scale surrogate prediction of 3D microstructure evolution.
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All authors Zhihui Tian, Kang Yang, Michael Tonks, Amanda R. Krause, Joel B. Harley

Machine Learning · Cross-listed from cs.CV

GlaKG: A Biomarker-Centric Fundus Knowledge Graph for Explainable Glaucoma Diagnosis and Risk Assessment

Glaucoma is a leading cause of irreversible blindness worldwide, yet most automated diagnosis systems rely on opaque deep-learning models that offer little clinical interpretability. We present GlaKG, a biomarker-centric fundus knowledge graph that integrates structural biomarkers, clinically grounded rules, and image features to produce traceable reasoning for glaucoma diagnosis and risk stratification. GlaKG encodes six entity types (Fundus Image, Optic Disc, Neural Rim, Pathology, Diagnosis, Risk Level), eight relation types, and 11 clinically validated rules into a unified graph, so that every prediction is accompanied by an explicit reasoning chain linking biomarker evidence to activated clinical rules. To keep knowledge-based reasoning strictly separate from label information, we adopt a post-processing fusion framework that combines ResNet50 image embeddings with a normalized KG reasoning-chain score via a tunable weight alpha, with all fitting confined to the training split. On a publicly available, AI-annotated fundus dataset, GlaKG reaches F1 = 0.9953 for binary glaucoma classification and 0.930 accuracy with 0.922 weighted F1 for four-class risk stratification; we report openly that the dataset's biomarker annotations are highly label-correlated, and therefore frame these figures as an upper bound attainable with clean structured biomarkers rather than as leakage-free image-only performance. Feature-importance analysis shows KG-derived and biomarker features contributing near-equally (51.1% vs. 48.9%), and the reasoning chain flags borderline cases by exposing low chain scores rather than failing silently. GlaKG's central contribution is therefore a clinically auditable reasoning framework that complements raw predictive performance by explicitly exposing the biomarker evidence and rule activations behind each decision.
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All authors Cheng Huang, Jia Zhang, Yi Jiang, Yang Liu, Karanjit Kooner, Yadi Liu, Tsengdar Lee, Yang Xie, Wenqi Shi, Guanghua Xiao

Machine Learning · Cross-listed from stat.ML

Decomposition for Bayesian Networks: Local and Parallel Inference

Probabilistic inference in high-dimensional Bayesian networks is difficult because exact manipulation of the joint distribution scales exponentially with network size. We propose a decomposition framework based on directed convex subgraphs and introduce a minimal d-decomposition tree. Together, they provide a principled alternative to classical junction-tree constructions. The proposed framework represents the joint distribution by lower-dimensional sub-models that can be learned and stored separately. This decomposition reduces computational cost and naturally enables parallel computation. Based on a minimal d-decomposition tree, we further develop two parallel algorithms for parameter estimation and probabilistic inference. Experiments show that the proposed method substantially improves computational efficiency over junction-tree methods while maintaining inference accuracy, especially for low-dimensional queries.
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Machine Learning

Machine Learning for Depression Screening and Intervention: an Original Circadian Rhythm Score-based Methodology

Depression screening from large-scale behavioral data is challenged by fragmented circadian indicators, limited interpretability, and the lack of intervention-oriented analysis. Existing approaches typically analyze sleep, activity, and social behaviors in isolation, failing to capture their joint circadian structure. To address this limitation, we first propose the Circadian Rhythm Score (CRS), a composite index that compresses multi-domain daily behaviors into a unified representation of circadian rhythm. CRS is constructed to maximize discriminative power for depression screening while preserving behavioral semantics through non-negativity constraints. Empirical results demonstrate near-lossless compression, where a single CRS retains almost the full predictive capability compared with multiple raw behavioral indicators. Building upon CRS, we develop an interpretable depression screening framework based on gradient-boosted trees and SHAP analysis, revealing nonlinear and saturation-like associations between circadian rhythm and depression risk. Beyond risk prediction, we further integrate interaction modeling and counterfactual regression to estimate heterogeneous and dose-dependent behavioral effects, enabling intervention-oriented reasoning under different circadian contexts. Experiments on the China Health and Retirement Longitudinal Study (CHARLS, n=15,233), demonstrate robust screening performance (ROC-AUC=0.825) and identify actionable behavioral thresholds, including a minimum effective exercise dose of approximately 300 MET-min/week and an optimal restorative nap duration of approximately 65 minutes for sleep-deprived individuals. By bridging supervised representation learning and interpretable modeling, this work provides a scalable framework for depression screening and intervention-aware healthcare data mining.
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All authors Bin Wang, Shuo Lian, Yuanyuan Hou, Dexian Wang, Peilan He, Feng Hong, Yanwei Yu, Tianrui Li

Machine Learning · Cross-listed from stat.ML

Integrating Neural Encoders in Bayesian Generalized Linear Mixed Models for Multimodal Data

Scalable Bayesian inference for generalized linear mixed models (GLMMs) provides uncertainty-aware analysis of correlated longitudinal data, but existing scalable approaches largely assume low-dimensional tabular predictors and do not directly accommodate high-dimensional modalities such as images and text. We address this limitation by learning one or more modality-specific neural encoders jointly with a GLMM objective, then performing variance-corrected stochasticgradient MCMC for the GLMM parameters conditional on the learned representation. This conditional-Bayes design combines supervised representation learning with posterior uncertainty quantification for population-level effects, subjectspecific heterogeneity, and modality-level random slopes. The resulting model preserves interpretable fixed and random effects for structured covariates and learned modalities while scaling gracefully to large longitudinal datasets. In simulation studies, our method recovers posterior means and variance estimates from full-data MCMC benchmarks after covariance correction. We further evaluate uncertainty through parameter-level interval coverage in simulations and predictive calibration on held-out data. Applications to glaucoma progression and adolescent mental health demonstrate that the framework allows nuanced assessment of the relative importance of each modality on both individual and population levels without sacrificing predictive performance.
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All authors Yuankang Zhao, Youngsoo Baek, Felipe A. Medeiros, Samuel Berchuck, Matthew M. Engelhard

Machine Learning · Cross-listed from cs.CL

Retroactive Chain-of-Thought (RetroCoT): Forensic Reconstruction Prompts as a Safety Diagnostic Across Model Generations

Safety alignment in large language models is typically evaluated against direct, imperative harmful requests. We show that this alignment is highly conditioned on pragmatic register: models that refuse a direct request frequently comply when the same underlying objective is expressed through a different communicative stance. This suggests that current alignment policies are not invariant to semantic equivalence, but remain sensitive to how a request is pragmatically framed. We introduce Retroactive Chain-of-Thought (RetroCoT), a single-turn attack that reframes harmful requests as forensic reconstruction tasks. Rather than requesting harmful instructions directly, RetroCoT presupposes that the harmful outcome has already occurred and asks the model, acting as a forensic analyst, to reconstruct in reverse the causal chain that produced it. On AdvBench (n=50), RetroCoT achieves attach success rate of 58% on gpt-4o and 52% on gpt-4o-mini, compared with direct-request baselines of 0% and 4%, respectively. We further identify a pronounced generation gap: GPT-5-family models refuse RetroCoT entirely, explicitly identifying the reconstruction premise in their refusal rationales, consistent with explicit coverage of this reconstruction register. However, this robustness does not generalize across pragmatic forms. A single adversarial feedback turn presenting an existing forensic reconstruction response alongside evaluator critique raises ASR from 0% to 48% on GPT-5.4-mini and from 58% to 94% on GPT-4o; a control condition omitting the fabricated low score achieves 85% on GPT-5.4-mini, indicating that the operative element is pragmatic continuation within the established forensic frame rather than score manipulation. These results suggest that frontier-model alignment remains conditioned on pragmatic framing rather than semantic intent, and that new pragmatic registers can continue to expose a...
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Machine Learning

Reliability and Identifiability in Persona-Trained Monte Carlo: Variance Decomposition, Stability Bounds, and the Identifiability of Heterogeneous News Reaction

Persona-Trained Monte Carlo (PTMC) estimates distributions of market-outcome functionals by repeatedly simulating limit-order-book interaction among $K$ neural policy bots whose behavioral personas are drawn from a learned heterogeneity distribution $\mathcal{P}$. This paper develops the statistical theory that makes the word "reliable" precise for such estimators. We decompose estimator variance into a persona-draw component $\sigma_P^2$ and a within-run component $\sigma_w^2$, give unbiased ANOVA estimators of both, and derive the variance-optimal allocation of a fixed compute budget between outer persona draws and inner replications. A coupling-based stability bound quantifies how misestimation of $\mathcal{P}$ and error in the trained policy propagate into the estimand, yielding a three-term total-error budget whose terms are separately estimable; a uniform-in-horizon version holds under a Doeblin condition on the market chain. The main contribution is an identification theory for heterogeneous news reaction: under a fixed response nonlinearity, the aggregate impact curve $A(z)=\mathbb{E}_Q[g(\eta z)]$ detects heterogeneous news sensitivity through a strict Jensen gap and identifies the distribution $Q$ locally via odd moments and Hausdorff determinacy, with sharp failure when the response family is unknown. We provide $\sqrt{n}$-consistent estimators and a boundary-corrected test of homogeneous news reaction. Two separation theorems delimit when PTMC is provably preferable to homogeneous-population simulators and reduced-form forecasters, formalizing an irreducible Jensen bias floor and the Lucas critique as a minimax limit on intervention extrapolation. All proofs are given in full; guarantees are classified as unconditional (Monte Carlo convergence), conditional worst-case (the error budget), or open (the large-$K$ mean-field limit).
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Machine Learning

Measuring What Matters: A Unified Evaluation Framework for GNN Explainability

Graph eXplainable AI (G-XAI) is increasingly important for making Graph Neural Networks interpretable and accountable. While a growing number of explainers are available, choosing the right method and assessing the trustworthiness of its outputs remains unclear. Consistent evaluation practices and actionable guidance are still missing, hindering practical adoption. In this paper, we introduce a unified, quantitative benchmarking framework for G-XAI that requires no ground-truth assumptions. We formalize tabular explainability metrics for graph data, evaluating topological structure and node features as independent components. Our large-scale benchmarking study identifies explainers that consistently lie on the Pareto front across metric pairs and tasks, establishing robustly non-dominated solutions - while confirming that no single explainer achieves universal superiority. We distill our findings into actionable G-XAI usability guidelines to support Machine Learning practitioners in evaluating and deploying trustworthy GNN-based pipelines.
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All authors Francesco Paolo Nerini, Mirko Zaffaroni, Paolo Baracco, Gabriele Ciravegna, Alan Perotti

Machine Learning · Cross-listed from quant-ph

Breaking the One-Dimensional Expressibility-Trainability Tradeoff

Expressive parameterized quantum circuits (PQCs) are often designed under a dilemma: the growth of expressibility and entangling power (EP) that improves Hilbert-space coverage is also expected to randomize an ansatz and activate barren-plateau (BP) conditions. We show that this dilemma is not a one-dimensional tradeoff. The usual picture collapses three inequivalent objects – parameter-ensemble coverage, fixed-circuit entangling response, and local gradient moments – into one scalar narrative. For a fixed circuit probed by Haar-product inputs, EP is a global two-copy mean of the output-entanglement distribution, whereas entangling-power deviation (EPD) is a global four-copy fluctuation descriptor. Gradient variance, however, is a local two-copy contraction selected by a parameter light cone and a cost observable. This moment hierarchy yields an analytic separation: equal EP need not imply equal trainability, as witnessed by equal-EP circuits with different EPDs and different gradient variances. These separations turn EP and EPD into a two-dial design rule for PQC ansatzes: EP measures how far the circuit has moved along the coverage dial, while EPD monitors whether input-dependent variability remains. We find that ansatz routes can reach high, Haar-like coverage before EPD and gradient variance collapse, showing that coverage and BP activation are distinct crossover events. The EP/EPD framework thus breaks the apparent one-dimensional expressibility-trainability tradeoff into a practical design rule: search for highly expressive PQCs in the window where coverage is high but BP-like homogenization has not yet erased trainable structure.
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All authors Kyoungho Cho, Yu-Seong Jeon, Jinhyoung Lee, Jeongho Bang

Machine Learning

Minimum Block Width for Universal Approximation by Residual Neural Networks with Inner Width One

In this paper, we study the universal approximation property of residual neural networks. For input and output dimensions $d_x$ and $d_y$, and LeakyReLU, ReLU, ReLU-like activation functions, the upper and lower bounds of the minimum block width are established. To achieve $L^p$ approximation $(1\leq p <+\infty)$ on any compact set, we show that the exact minimum block width is $\max\{d_x,d_y\}$ when each residual branch has inner width 1. Furthermore, we show that residual neural networks with block width $\min\{d_x+d_y, \max\{2d_x+1,d_y\}\}$ can achieve uniform approximation on any compact set under the constraint that each residual branch has inner width 1. Besides, for any activation function family, we prove that there exist functions that cannot be approximated by residual neural networks with block width less than $\max\{d_x, d_y\}$, both in the $L^p$ sense and the uniform sense, regardless of inner width. Consequently, for LeakyReLU, ReLU, ReLU-like activation functions and $d_y\geq 2d_x+1$, the exact minimum block width for uniform approximation is $d_y$ when each residual branch has inner width 1.
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Machine Learning

Score Distributions, Not Cells: Evaluating Single-Cell Perturbations Under Class Overlap

Most classification problems assume the classes are roughly separable, so that an individual sample can usually be assigned to one class. Single-cell perturbation data violates this assumption: two perturbations can produce different populations of cells while overlapping so much that an individual cell could belong to either. Per-cell accuracy then measures this overlap rather than model quality. We see this on Tahoe-100M and the Virtual Cell Challenge, where a linear classifier, an MLP, and a Transformer all plateau near macro-F1 0.2-0.3 even though almost every pair of perturbations is statistically distinguishable. The fix is to score perturbations across the whole population rather than cell by cell. We average a classifier's per-cell probability vectors over all cells of a perturbation to form a population profile, then rank candidate perturbations by this profile; we call the resulting score the Classifier Discrimination Score (CDS). Taking the top-ranked class recovers the winning perturbation. It needs no retraining, costs linear time in the number of cells, and recovers near-perfect identification from the same weak models. CDS differs from the pseudobulk-based Perturbation Discrimination Score (PDS) used in recent benchmarks only in where the average is taken, raw gene expression for PDS versus a learned discriminative space for CDS, and identifies the true perturbation more reliably on both datasets, with the gap widening as cells grow scarce. Because a metric that misranks the ground truth will misrank the models scored against it, per-cell accuracy and raw-pseudobulk scores should be used with caution when comparing perturbation models.
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Machine Learning · Cross-listed from cs.CL

MTEB-BR: A Text Embedding Benchmark for Brazilian Portuguese

Text embeddings for Portuguese have no dedicated benchmark: evaluation rests on translated corpora such as English MS MARCO or on thin multilingual coverage, with native tasks scattered and unconsolidated. We introduce MTEB-BR, a benchmark of 22 native Brazilian-Portuguese tasks across seven categories (classification, multilabel classification, pair classification, semantic textual similarity, clustering, retrieval, and reranking), admitting only data created or found in Portuguese and excluding translations by construction. We evaluate 93 models spanning 23M to 27B parameters: 73 open-weight and 20 closed commercial APIs. Alongside the leaderboard we report a statistical layer for every headline comparison: per-task bootstrap confidence intervals, paired-bootstrap significance, a task- and instance-level discrimination analysis (how sharply each task separates models) adapted from Item Response Theory, and a cross-leaderboard correlation. Three findings stand out. The benchmark cleanly separates about a dozen tiers of models, though the top six are statistically too close to order. An openly licensed, self-hostable model reaches that leading tier, so strong Portuguese embedding quality does not require a commercial API. And a model's rank on the global multilingual leaderboard predicts its Portuguese rank only moderately (Spearman rho = 0.75 over 55 shared models; one model ranks 3rd there and 49th here), so a native benchmark measures something the multilingual boards do not. We release every task, our code, and a public leaderboard, so practitioners can choose Portuguese embedding models on native evidence.
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Machine Learning

Beyond the Need for Speed: Energy-Aware Code Generation via Simulation-Guided Reinforcement Learning

Code models strictly prioritize functional correctness, leaving software energy efficiency as an unoptimized byproduct. Training models to generate energy-efficient code requires reproducible feedback at scale, which physical hardware measurement cannot reliably provide due to variance. In this paper, we replace hardware profiling with a deterministic architectural simulation harness to build Green Tea, a corpus of $3.5$ million evaluations across $1{,}474$ C++ problems. We train an energy-aware code model via supervised fine-tuning on energy-contrastive pairs, followed by closed-loop reinforcement learning (GRPO) using simulation-in-the-loop feedback. To rigorously evaluate deployment readiness, we introduce the Correctness-Adjusted Reduction in Energy Total (CARET), a metric that explicitly penalizes code that sacrifices functionality for efficiency. On $143$ held-out problems, our simulation-in-the-loop pipeline achieves $12.63\%$ CARET, nearly tripling the gain of fine-tuning alone, and successfully beats the energy efficiency of human-expert references on $58.4\%$ of its valid outputs. Furthermore, our analysis exposes the IPC trap: standard throughput proxies like Instructions-Per-Cycle (IPC) actively misrank true energy efficiency on $67.8\%$ of problems, proving the absolute necessity of direct energy simulation. By releasing our dataset and infrastructure, we bypass the $263{,}000$ CPU-hours required for reproduction, structurally empowering the community to deploy inherently energy-efficient code generation models.
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Machine Learning

A Few Teacher Steps Go a Long Way: Cost-Efficient On-Policy Data Augmentation for Agent Post-Training

For LLM agents, supervised fine-tuning is not only about teacher labels' quality, but also about which interaction contexts those labels condition on. Pure behavioral cloning uses full teacher demonstrations, creating a mismatch between teacher-induced contexts seen in training and student-induced contexts encountered at test time. Recent work addresses this mismatch by querying a teacher at contexts reached by the student, often with increasingly elaborate filtering of the teacher's continuations. We instead frame on-policy data construction as a budget-allocation problem: under matched supervision resources, should teacher output be spent on more start-to-finish demos, longer continuations, outcome filtering, or broader coverage of learner-induced contexts? We formalize this design space through the rollout policy, switch-time distribution, continuation horizon, filtering rules, and two complementary costs: teacher inference generated before filtering and teacher supervision retained for SFT. Across HotpotQA, ALFWorld, and Terminal-Bench-Dev, bounded unfiltered teacher continuations at learner-induced contexts improve over pure behavioral cloning at matched budgets. On HotpotQA and ALFWorld, where we run the full comparison, few-step continuations match or exceed success-filtered and critical-context-filtered alternatives. Our findings suggest that a few teacher steps, placed at learner-induced contexts, can be a more cost-efficient supervision allocation than longer or more heavily curated teacher completions.
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All authors Junze Ye, Jiayi Cheng, Miao Lu, Michal Mankowski, Jose Blanchet, Mohsen Bayati

Machine Learning · Cross-listed from cs.AI

Context-Masked Truncated Reasoning Audits for Answer-Key Dependence in LLM Tutors

Large language model (LLM) tutors may have access to teacher notes, answer keys, rubrics, or retrieved solutions while producing student-facing explanations. We study whether truncated reasoning probes can distinguish direct access to such private context from answer information carried by the written explanation. Using Truncated Reasoning AUC Evaluation (TRACE), we evaluate 1000 GSM8K problems under question-only, correct answer-key, and wrong answer-key contexts. When forced-answer probes retain the private key, answer-key TRACE AUC rises from 0.375 to 0.900, and the gold answer is recoverable with no explanation at all in 998 of 1000 cases. We then introduce a context-masked replay: answer-key-generated prefixes are probed under the corresponding question-only prompt. Masking reduces 10% prefix accuracy from 0.997 to 0.126 and median AUC from 0.900 to 0.375, nearly matching question-only values of 0.113 and 0.375. On 746 pairs where both explanations end correctly, the masked mean AUC difference is $-0.0086$ with a 95% bootstrap interval spanning zero. Wrong keys still account for 272 of 387 incorrect final responses, showing that private artifacts can influence outputs even when early-prefix evidence disappears after masking. These results establish context masking as necessary for attributing early answer availability to an explanation rather than its hidden input.
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All authors Bonan Shen, Dingyan Shang, Youting Wang, Tao Ning, Bowen Liu

Machine Learning · Cross-listed from cs.CL

EEG-SpikeAgent: Agentic Closed-Loop Program Synthesis for Automated EEG Spike Detection

Automated detection of interictal epileptiform discharges in scalp electroencephalography (EEG) is clinically important, but recent high-performing deep-learning models often trade interpretability for accuracy. We introduce EEG-SpikeAgent, a closed-loop program-synthesis framework that uses a large language model (LLM) agentic system to generate signal-processing features for spike detection in scalp EEG. The system iteratively proposes one deterministic EEG feature module at a time, executes the resulting code on EEG to generate tabular features, evaluates performance via a tabular classifier, summarizes run-level metrics, and feeds structured diagnostics back to the model for refinement. Across iterations, EEG-SpikeAgent proposes and refines candidate signal features and decision rules informed by model performance. We evaluated EEG-SpikeAgent on VEPISET, a public 29-channel dataset of 4-second epochs containing 2,516 discharge-containing and 22,933 non-discharge epochs. Across five-fold cross-validation with a gradient-boosted tree classifier, agent-generated features achieved an area under the receiver operating characteristic curve of 0.935, balanced accuracy of 0.699, F1 score of 0.557, sensitivity of 0.401, and specificity of 0.996 at the default operating point. At an operating point with sensitivity 0.80, mean precision was 0.470 and mean specificity was 0.900. Artifact-aware feature generation improved balanced accuracy and F1 score over spike-only feature search. These results indicate that LLM-based program synthesis can automate EEG feature engineering in auditable and inspectable code-driven manner for clinical and methodological review.
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All authors Sonali Santhosh, Kelly Shuhong Yu, Eugene Chang, Jonathan Kim, Kie Shidara, Danilo Bernardo

Machine Learning

Predicting Therapeutic Outcome via Aligning Patient-Specific Knowledge Graph and Gene-Level Perturbation Representations

Accurate prediction of patient-specific therapeutic response from pre-treatment transcriptomes is hindered by the scarcity of matched clinical response labels and post-treatment molecular profiles. Preclinical transfer-learning models can simulate drug-induced expression changes but are often hard to interpret and unstable, whereas knowledge-graph methods provide mechanistic context yet remain static and fail to capture drug-induced transcriptomic perturbation dynamics. We propose PREDIKTOR, a patient-centered multi-view framework that aligns a personalized network view with a transferable transcriptomic perturbation view to predict clinical drug response. For each patient, we construct an individualized gene regulatory network from tumor expression using DysRegNet and augment it with drug-target links from DrugBank; a graph neural encoder yields a drug-centric, mechanistically grounded embedding. In parallel, a frozen condition-specific gene-gene attention model pretrained on LINCS L1000 generates a simulated post-perturbation transcriptomic profile for the same patient-drug pair. We align the two views in a shared latent space via a CLIP-style contrastive objective with drug-context hard negatives, then concatenate the representations for end-to-end response classification. On TCGA, PREDIKTOR consistently outperforms state-of-the-art baselines under patient-, drug-, and tissue-split evaluations, and transfers zero-shot to the I-SPY2 trial, improving AUROC by 5.6% over competing methods. The aligned embeddings yield stable gene and pathway attributions that recover known mechanisms, supporting actionable and interpretable precision oncology.
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All authors Dongmin Bang, Sugyun An, Inyoung Sung, Ilho Yun, Sun Kim, Sangseon Lee

Sunday 5 July

Machine Learning · Cross-listed from cs.AI

When Retrieval Fails Before It Begins: Structurally Indirect Prerequisite Eviction as a Retention Failure in Agentic Memory

Agentic memory under a fixed budget involves two stages: retention and retrieval. Existing retrieval-centered paradigms implicitly assume necessary evidence survives eviction, but we challenge this by isolating a pre-retrieval failure mode: structurally indirect prerequisite eviction, in which upstream blocks weakly aligned with the query are discarded under budget pressure. We provide an operational definition of this failure, a reproducible deterministic benchmark, and per-seed trace diagnostics. Finally, we evaluate Dependency-aware Semantic Garbage Collection (DSGC), a one-hop graph-aware rule. In our main suite, DSGC improves full-chain retention from 0.03 to 0.90 under a lexical encoder and from 0.23 to 1.00 under a sentence encoder. Robustness checks then identify the budget and scaling regimes where the one-hop rule holds or degrades. Our released pipeline and failure postmortem support mechanistic analysis of retention before retrieval as a distinct failure boundary.
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Machine Learning · Cross-listed from cs.HC

Interactive Analysis of Global Explanations using Aggregated Class Activation Maps for Network Data

Recent machine learning (ML) advances have demonstrated that deep learning (DL) achieves impressive results in different application domains, including the classification of computer network traffic to corresponding applications. However, the data frequently contains diverging patterns within a single predicted class. This presents a significant challenge to the ability to provide a clear and comprehensive explanation and emphasizes the necessity for tools capable of detecting and analyzing these patterns. Furthermore, the capacity to extract descriptive rules for classes is a crucial requirement in network traffic analysis and intrusion detection, particularly when leveraging advanced tools like next-generation firewalls. We provide a visual-interactive system that explains predictions of classes for network traffic. Global explanations derived from multiple samples of a given class contribute to understanding model predictions. Visualization of global explanations enables recognition of different patterns that offer experts a more comprehensive overview of its characteristics. We introduce a prototype that facilitates visual exploration and refinement of global explanations, enabling network experts to detect and refine new patterns for specific applications. These explanations support the identification of misleading features and the formulation of new rules for the management of networks. Our approach also aims at enabling ML experts to acquire new insights, including the possibility of separating or merging classes and the development of more accurate and reliable DL models. Our proposed prototype was evaluated by experts in machine learning and network analysis.
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All authors Igor Cherepanov, David Sessler, Alex Ulmer, Felix Wagner, Throsten May, Jörn Kohlhammer

Machine Learning

PsiLogic: Chaos-Aware Active Cancellation for Adam with a Fair Cross-Domain Benchmark

Adaptive optimizers such as Adam and AdamW apply the same update rule regardless of whether training is in a chaotic early phase or near convergence. We introduce PsiLogic, an optimizer that augments Adam with a dynamic Active Cancellation Term gated by a dual exponential moving average (EMA) of scale-normalized gradient norms. The resulting chaos detector strengthens damping when gradient statistics are unstable and fades to zero as training stabilizes, providing an implicit warmup without a hand-tuned schedule. We evaluate PsiLogic against Adam, AdamW, and Lion using FairBench – a reproducible benchmark protocol with per-optimizer learning-rate sweeps, identical initialization per seed, and Welch t-tests. On an NVIDIA H100 80GB reference run (4 arenas, 3 seeds, 2000 steps, bf16 AMP), PsiLogic achieves the best validation metric in three of four arenas: NLP perplexity 7.79 +/- 0.18 vs. 8.17 +/- 0.08 (AdamW, p = 0.049), ViT top-1 accuracy 0.244 +/- 0.006 vs. 0.223 +/- 0.002 (AdamW, p = 0.015), and ResNet top-1 accuracy 0.222 +/- 0.001 vs. 0.172 +/- 0.004 (Adam, p = 0.001). On diffusion, validation MSE is statistically tied with Adam/AdamW (p = 0.49). ResNet accuracy vs. AdamW is a numerical tie without significance at three seeds (p = 0.44). Peak GPU memory is comparable across optimizers; PsiLogic incurs 1.2–1.8x wall-clock overhead on transformer-heavy arenas (implementation-bound). We release an open-source PyTorch implementation, the full FairBench harness, and all raw CSV outputs to support independent verification.
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Machine Learning · Cross-listed from cs.RO

HRIBench: Benchmarking Interaction-Centric Human-Robot Collaboration

Current vision-language-action (VLA) benchmarks primarily evaluate isolated manipulation skills while leaving human-robot interaction structure largely unmodeled. However, real-world collaboration fundamentally requires coordination under shared agency, including intent understanding, temporal synchronization, protocol adherence, and safe interaction in dynamic environments. To address this gap, we introduce HRIBench, a diagnostic benchmark for intent-aware human-robot collaboration based on executable interaction scenarios. HRIBench represents collaborative tasks as structured scenario scripts that explicitly model agent roles, temporal dependencies, coordination constraints, and human behavior distributions. Building on this abstraction, HRIBench defines three representative interaction roles: Instructor, Collaborator, and Intruder, covering intent communication, joint coordination, and robustness under human intervention. The benchmark contains 13 role-conditioned tasks with over 650 evaluation episodes generated from diverse interaction trajectories and scene variations. Beyond binary task success, HRIBench introduces interpretable interaction-centric metrics spanning synchronization, responsiveness, protocol compliance, and safety. We evaluate adapted policies based on GR00T, pi0.5, and ACT under a unified protocol. Results show that current foundation robot policies struggle substantially in collaborative settings despite strong manipulation ability, revealing major limitations in temporal coordination and intent-aware behavior. Fine-tuning on HRIBench consistently improves collaborative performance. In a real-world adaptation study, simulation data generated by HRIBench improves GR00T N1.5's physical-task success rate from 0.10 to 0.43, demonstrating the benchmark's value for advancing interaction-centric robot learning.
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All authors Chang Liu, Jiawei Zhang, Tao Zhang, Ye Wang, Hongyu Zhou, Qin Jin

Machine Learning · Cross-listed from physics.plasm-ph

Benchmarking Sensor Robustness in Plasma Diagnostic Models: A Systematic Evaluation on TokaMark

Plasma diagnostic models for tokamak fusion devices are almost universally evaluated on clean, complete sensor data. In practice, fusion diagnostics fail regularly: acquisition systems start late, individual sensors die, and signal dropouts cluster precisely when a plasma disruption is approaching. We present the first systematic robustness benchmark for plasma diagnostic ML using the TokaMark dataset of 11,573 MAST shots, evaluating XGBoost, LSTM, Transformer, and the TokaMark CNN baseline across six physically-grounded failure scenarios and three imputation strategies. We introduce the Robustness Score (RS) for standardized cross-architecture comparison. Our central finding is that disruption-proximate sensor failure (corruption injected in the final window timesteps) collapses sequence model performance (LSTM +212% NRMSE) while a statistical feature model remains comparatively stable (XGBoost +37%). Forward-fill imputation eliminates nearly all degradation from random dropout for sequence models (LSTM +57% to ~0%), but offers little help when the end of the window is corrupted. Shot-level alarm evaluation using ground-truth disruption timestamps reveals that LSTM alarm detection collapses to TPR=0.00 under proximate sensor failure, while mean-fill imputation recovers it to TPR=1.00, a reversal of the pattern observed in NRMSE. Plasma current emerges as the single most critical diagnostic across all architectures (+73% to +140% upon removal). Code, data, and trained checkpoints are available at https://github.com/Neerav-Gupta/tokamark-robustness.
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Machine Learning · Cross-listed from cs.CV

Cross-Subject Modeling for Widefield Calcium Imaging via Atlas-Aligned Spatiotemporal Tokenization

Large-scale, multi-subject widefield calcium imaging provides unprecedented access to brain-wide cortical dynamics. However, the high dimensionality, complex spatiotemporal structure, and substantial task-irrelevant activity in widefield recordings have largely restricted modeling efforts to single-session analyses, limiting scalability and generalization. While multi-subject pretrained models have been explored for some neural modalities, multi-subject models for widefield calcium imaging have not yet been demonstrated; further, subject-invariant zero-shot behavior decoding remains elusive for multi-subject models across neural modalities more broadly. As a first step toward foundation modeling of widefield data, we introduce WiCAT, a multi-subject model that leverages self-supervised pretraining to both outperform single-session models and enable zero-shot behavior decoding on unseen subjects. WiCAT introduces an atlas-grounded tokenization scheme without session-specific components and learns globally shared spatiotemporal representations. Across multiple widefield datasets, the pretrained model supports lightweight downstream decoding, transfers across subjects, tasks, and datasets, and outperforms baseline models. Notably, the model also achieves robust zero-shot continuous behavior decoding and left-out brain region reconstruction on unseen subjects.
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All authors Mohammad Hosseini, Eray Erturk, Saba Hashemi, Maryam M. Shanechi

Machine Learning · Cross-listed from cs.CV

Pixel-Precise Explainable Stress Indexing: A Semantic Segmentation Framework for Disease Severity Quantification in Field Crops

Plant diseases, resulting from both biotic and abiotic stresses, cause an estimated 20-40% loss in global agricultural yield annually, resulting in economic damages exceeding USD 220 billion. Accurate and scalable stress quantification is essential for precision agriculture, yet traditional manual assessments are labour-intensive and subjective. This paper proposes a unified deep learning pipeline integrating semantic segmentation, regression-based severity estimation, and disease classification. Stress severity is categorised into four levels (Low to Very High) based on the proportion of infected leaf area. Experiments on the Apple Tree Leaf Disease Segmentation dataset (1,641 samples, six classes) evaluate four models: U-Net (MobileNetV2), SegFormer, FCN, and PSPNet. U-Net with MobileNetV2 achieves the best performance with 98.20% pixel accuracy, 0.70 mIoU, and 99.41% detection accuracy at 14.7 ms per image, making it suitable for real-time use. SegFormer performs competitively (mIoU 0.66), while FCN and PSPNet show lower spatial accuracy (approximately 0.49 mIoU). The computed severity index strongly correlates with expert annotations (r = 0.968, R^2 = 0.937), demonstrating the system's reliability for automated crop monitoring and decision support.
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Machine Learning

HarnessMDP: Learning to Control LLM Agent Harnesses with Offline Reinforcement Learning

The execution harness is a critical component of LLM agents, shaping how the agent interacts with its environment and organizes multi-step execution. Prior work has shown that improving tools, workflows, and other harness components can substantially improve agent performance. This suggests that the harness can be treated as a learnable control layer that adapts execution decisions from experience, rather than as a predetermined execution configuration. In this work, we introduce HarnessMDP, a learning-based framework that makes harness control itself learnable. HarnessMDP formulates agent execution as a finite-horizon Markov decision process, where the harness learns to select structural execution actions from the evolving agent state. The harness policy is learned offline from collected trajectories using task performance and deployed online to adaptively control new executions. Extensive experiments on coding tasks, $\tau$-bench, AgentBench, and other agent evaluation settings show that HarnessMDP consistently improves execution behavior and final task performance over baseline harnesses. These results demonstrate the effectiveness of HarnessMDP and establish learnable harness control as a practical mechanism for improving LLM agents through better execution. Our code is available at https://github.com/Hik289/Agentic-RL-harness.git.
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Machine Learning

Empirical Minimal-Realisation Compression of Deep Neural Networks via Controllability-Observability Tests

Deep neural networks often contain substantial hidden-state redundancy, but most compression methods operate directly on weights, neurons, or quantised representations without explicitly characterising the dynamical role of internal states. This paper proposes a controllability-observability framework for empirical state-order reduction of deep neural networks. By viewing a trained network as a depth-indexed nonlinear dynamical system, we construct data-driven reachability, observability, and balanced Gramians from hidden-state snapshots and output Jacobians. The resulting A/B/C tests estimate layer-wise reachable, observable, and jointly reachable–observable ranks. These ranks are then used not only as diagnostic measures of hidden-state redundancy, but also as actual compressed layer widths for realised reduced networks. Experiments on MNIST and CIFAR-10 compare the proposed balanced realisation against projection-based reduction, unstructured pruning, structured pruning, low-rank SVD, dynamic INT8 quantisation, and linear baselines. On MNIST, a four-layer SiLU DNN is reduced from state order 1024 to 277, giving 72.95% state compression and 73.48% parameter compression, while maintaining 95.45% accuracy compared with 96.60% for the full model. On CIFAR-10, a larger SiLU DNN is reduced from state order 4608 to 1339, giving 70.94% state compression and 83.09% parameter compression, while preserving accuracy from 54.45% to 54.44% and reducing CUDA inference latency by approximately 3X. The results show that balanced reachable-observable ranks provide a principled empirical minimal-realisation criterion for designing compact neural architectures with little or no loss in accuracy.
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Machine Learning

Exogenous Dropout: A Simple, Strong Baseline for Corruption-Robust Time Series Forecasting with Covariates

Time series forecasters that use exogenous covariates are fragile in deployment: when those covariates are noised, temporally misaligned, or missing, strong exogenous-fusion and exogenous-adapted models can degrade far above the endogenous-only floor. We study whether such robustness requires specialized architectures, or whether it can be obtained through a simple training intervention. We propose exogenous dropout, a model-agnostic method that randomly zeros whole exogenous channels during training. Across electricity-price forecasting, reservoir hydrology, and meteorology, exogenous dropout substantially improves robustness under Gaussian noise, temporal misalignment, and fully missing channels, while preserving clean accuracy. Applied to a dual-correlation network, it yields the most robust model in our experiments, outperforming a deliberately strong bounded architectural foil, BoundEx, which combines a learnable gate, a fallback residual to the endogenous backbone, and per-channel exogenous FiLM modulation. Architecture-by-dropout ablations, gate-behavior diagnostics, and a representation-level bound show that explicit architectural boundedness is not necessary for this robustness: an unbounded model trained with exogenous dropout is more robust than the bounded model in every domain. We release a corruption-robustness benchmark and recommend exogenous dropout as a simple, strong baseline for future work on time series forecasting with covariates.
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Machine Learning

The Granularity Paradox: How Temporal Disaggregation Inflates In-Sample Fit and Compounds Out-of-Sample Error

This paper explores the "Granularity Paradox" in time-series forecasting, wherein finer temporal disaggregation (e.g., Monthly to Weekly/Daily) improves in-sample diagnostics and dataset size (N), but degrades out-of-sample accuracy due to recursive error compounding over longer horizons (H). Conversely, coarse aggregation (Annual) eliminates recursive error propagation but reduces data available to estimators. We formalize this trade-off and benchmark 10 models - spanning naïve, statistical, machine learning, and deep learning architectures - across six granularities using a 13-year public procurement dataset. The empirical results reveal a non-monotonic threshold structure: recursive autoregressive and seasonal models degrade substantially under high-frequency forecasting (e.g., Holt-Winters reaches a Test R-squared of -151 and TPFE of 425.85% at the Daily grain), while the LSTM traces a U-shaped error curve, worsening from Monthly (19.66%) through Bi-Weekly (35.94%) before overcoming the error propagation penalty at Daily (TPFE of 4.35%, R-squared of 0.66). Linear Regression remains stable across all granularities (16.3-17.0% TPFE), confirming that the paradox is driven by recursive feedback topology, not model complexity. The results demonstrate that standard pointwise metrics (RMSE, MAE) systematically mask cumulative error propagation, and that evaluating forecasts without goal-dependent cumulative metrics produces misleading assessments of model adequacy. We introduce a consensus-dissensus diagnostic comparing the directional behaviour of pointwise metrics against cumulative TPFE across granularities, enabling the identification of models whose standard diagnostics mask systematic error propagation.
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Machine Learning

Geometry-Aware Infrastructure-Anchored Denoiser for UWB Sensing and Work-Zone Reconstruction

Accurate work-zone geometry perception is critical for intelligent transportation systems, and ultra-wideband sensing offers a low-cost approach for infrastructure-aided reconstruction. However, outdoor UWB ranging is often degraded by non-line-of-sight propagation, burst noise, and long-tail errors, which can distort downstream spatial reconstruction. We present GAIA, a geometry-aware, infrastructure-anchored learning framework that couples temporal range modeling with latent anchor-layout estimation and deterministic distance projection. GAIA preserves range denoising as the supervised task while orienting the learned distances toward boundary-consistent reconstruction. We evaluate GAIA on a real-world outdoor UWB dataset with synchronized UWB, GNSS, and IMU measurements, and further test robustness using a real-data-calibrated stress-test simulator. GAIA achieves the lowest overall range MSE and highest polygon IoU among evaluated filtering-based and learning-based baselines, reducing MSE by 18.4% and improving polygon IoU by 15.5% over PoseMLP. These results show that geometry-aware range denoising provides an effective path toward spatially coherent work-zone reconstruction.
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All authors Weizhe Tang, Jiaxi Liu, Junwei you, Steven T.Parker, Pei Li, Sikai Chen, Meng Ran, Bin Ran

Machine Learning · Cross-listed from cs.RO

Mask2Real-WM: Controllable Dexterous World Models via Segmentation Masks as a Sim-to-Real Bridge

Learning action-conditioned world models for dexterous manipulation that are genuinely controllable requires capturing complex, high-dimensional hand kinematics from limited real-world data. We present Mask2Real-WM, a two-stage world model that improves controllability for dexterous hands under a limited real-data budget by decoupling pixel prediction into a dynamics model and a rendering model. The dynamics model predicts future segmentation masks from past masks and a high-dimensional action sequence. The rendering model converts the predicted masks into photorealistic RGB images. This design allows us to train the dynamics model on a large synthetic dataset spanning the full range of hand motions and interactions. We then fine-tune the dynamics model and train the rendering model on only 2.5 h of real demonstrations to obtain a controllable world model. We compare five models with matched training recipes on a 23-DoF robotic system, measuring per-DoF controllability both with random target commands and with sinusoidal per-DoF actuation, judged blind by human raters. The decoupled model achieves the strongest controllability, with further gains from simulation data. Beyond improved controllability, Mask2Real-WM produces sharper frames while maintaining comparable perceptual quality.
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All authors Riccardo O. Feingold, Davide Liconti, Chenyu Yang, Robert K. Katzschmann