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Computer Science Machine Learning

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Wednesday 17 June

Machine Learning · Cross-listed from cs.AI

ForecastBench-Sim: A Simulated-World Forecasting Benchmark

Forecasting benchmarks for general-purpose AI systems usually inherit the constraints of the real world: outcomes resolve slowly, tail events are rare, and counterfactual questions are difficult to score. We introduce ForecastBench-Sim, a simulated-world forecasting benchmark built on game rollouts from Freeciv, a turn-based strategy game modelled on the Civilization series. Forecasters receive a fixed world report (a structured snapshot of the current game state) and answer questions about hidden future states; the benchmark then continues the simulation and scores forecasts. Because the world is simulated, the same setup can generate continuous or binary forecasting questions at arbitrary time horizons, paired intervention worlds for conditional or causal questions, and resolved examples of rare or disruptive outcomes. We describe the benchmark pipeline, question families, scoring protocol, and release artifacts, and report validation slices from model evaluations and an anonymized human pilot. ForecastBench-Sim is intended to complement real-world forecasting benchmarks by providing controlled, immediately resolvable tasks for studying probabilistic reasoning under dynamic world states.
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Machine Learning · Cross-listed from cs.DS

Fair Online Resource Allocation

We study the problem of fair online resource allocation, motivated by applications such as refugee resettlement and airline scheduling, where agents arrive sequentially and must be assigned to facilities with limited capacities. We introduce a model that maximizes the overall welfare subject to resource constraints and a Lipschitz fairness requirement, which ensures that similar agents arriving in the same batch receive similar expected outcomes. We first analyze the offline problem, proving that the value of the optimal fair allocation is at least an $\Omega(1/\gamma)$ fraction of the optimal unfair allocation, where $\gamma$ is the fairness coefficient, thereby bounding the price of fairness. For the online setting, we propose an algorithm based on dual mirror descent that enforces fairness constraints within batches while estimating optimal dual variables. We prove that this algorithm achieves sublinear regret relative to the optimal offline fluid benchmark. Finally, we validate our theoretical results using real-world data from the Refugee Economies Programme, demonstrating the algorithm's performance and examining the trade-offs between welfare maximization and fairness enforcement.
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All authors Christopher En, Yuri Faenza, Andrea Lodi, Gonzalo Muñoz

Machine Learning

Bounded Context Management for Tabular Foundation Models on Stream Learning

Tabular stream learning requires predictions on sequentially arriving examples under distribution shift. While standard methods adapt by updating model states, tabular foundation models (TFMs) make predictions conditioned on a labeled context in an in-context manner, making them a natural alternative for stream learning. This shifts the challenge from how to update the model to how to manage the context. We propose a future information view that yields three practical requirements for context management: preserve recent examples, retain uncertain examples, and remove redundant examples. We instantiate these requirements as CURE (Context management via Uncertainty-aware admission and Redundancy aware Eviction), a context-managing policy with entropy-gated admission and redundancy-aware eviction. Across seven streams, CURE shows up to 27.0% relative improvement over classical stream learners, remains robust across multiple TFM backbones, and ranks first among other policy variants. Code and datasets are available at https://github.com/morcellinus/CURE-ICML-FMSD.
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All authors Jinmo Lee, Doyun Choi, Moongi Choi, Jaemin Yoo

Machine Learning

InTrain: Intrinsic Trainability for Zero-Cost Neural Architecture Search

Training-free neural architecture search promises efficient discovery of high-performance networks without costly training. However, existing zero-cost proxies rely on fragmented heuristics that fail to capture the fundamental question: what makes an architecture trainable? This paper introduces Intrinsic Trainability (InTrain), a unified theoretical proxy that formalizes trainability as an architectural invariant emerging from two synergistic components: geometric capacity and optimization resilience. We operationalize intrinsic trainability through analysis of neural information processing. Geometric capacity is quantified via the participation ratio of activation covariance eigenspectrum, capturing the effective dimensionality of representation manifolds. Optimization resilience is measured through cumulative gradient health, assessing the robustness of backpropagation across network depth. InTrain synthesizes these dimensions through a scale-invariant multiplicative coupling, which we hypothesize is essential for capturing their synergistic, non-additive relationship. Extensive experiments on standard NAS benchmarks and search spaces demonstrate that InTrain achieves ranking correlations on par with state-of-the-art ensemble-based proxies and outperforms other single-metric methods.
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All authors Qinqin Zhou, Fuhai Chen, Jipeng Wu, Zhiwei Chen, Zhikai Hu, Weiwei Cai

Machine Learning

scGTN: Deep Siamese Graph Transformer Network for Single-cell RNA Sequencing Clustering

Single-cell RNA sequencing (scRNA-seq) serves a pivotal role in characterizing gene expression at the cellular level, enabling the identification of cell types and advancing the understanding of cellular heterogeneity. Despite the significant progress in scRNA-seq data clustering, we argue that current methods always ignore the sparsity and noise, as well as the complex intercellular structural information inherent in scRNA-seq data. Toward this end, in this paper, we propose a novel single-cell RNA-seq clustering framework via deep Siamese Graph Transformer Network (termed scGTN), which explicitly integrates gene expression profile and intercellular structural dependencies for cell clustering. In particular, we formulate scRNA-seq data as a graph and construct two augmented graph views that serve as dual views to capture complementary intercellular information. Then, a Siamese graph transformer network is employed to explicitly incorporate shortest-path information and node-wise distances for capturing richer structural relationships between cells. Finally, we employ an optimal transport strategy to guide the cell clustering in a self-supervised manner. Extensive experiments on multiple benchmark scRNA-seq datasets demonstrate that our scGTN consistently outperforms existing methods. Our code is available at https://github.com/W-RMSL/scGTN.
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All authors Jinke Wu, Yifan Wang, Siyu Yi, Caiyang Yu, Ziyue Qiao, Nan Yin, Jiancheng Lv, Wei Ju

Machine Learning

BLADE: Scalable Bi-level Adaptive Data Selection for LLM Training

As Large Language Model (LLM) datasets scale to trillions of tokens, data selection has emerged as a critical frontier to filter out uninformative noise and construct adaptive learning trajectories. Beyond static heuristic filtering, advanced data selection methods for LLM training largely follow two paradigms, each with fundamental limitations. Influence-based methods provide principled bi-level objectives but require intractable inverse-Hessian computations, while excess-loss methods are computationally efficient but rely on a static reference model that becomes misaligned with the evolving proxy model during training. We propose BLADE (Bi-Level Adaptive Data sElection), a Hessian-free framework for data selection. BLADE reformulates the bi-level optimization problem underlying influence-based methods as a penalized single-level objective via Lagrange multipliers, avoiding inverse-Hessian computation while revealing a principled connection to excess-loss based data selection. The resulting objective recovers an excess-loss form but replaces the static reference model with a dynamic one that stays synchronized with training. Theoretically, we prove that this penalized formulation guarantees first-order convergence. For efficient online batch selection, we instantiate BLADE as a memoryless randomized block-coordinate Frank-Wolfe algorithm. Extensive experiments show that BLADE consistently outperforms state-of-the-art data selection baselines, providing a practical recipe for LLM training.
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All authors Jiaxing Wang, Deping Xiang, Jin Xu, Zirui Liu, Zicheng Zhang, Guoqiang Gong, Jun Fang, Chao Liu, Pengzhang Liu, Tongxuan Liu, Ke Zhang, Qixia Jiang

Machine Learning

MetaboNet-Bench: A Multi-modal Benchmark for Glucose Forecasting in Type 1 Diabetes

Glucose forecasting algorithms are an important aspect of glycemic control management in type 1 diabetes. So far, the research community has developed numerous algorithms and models for forecasting. However, it is well-recognized that the lack of standardized model performance evaluation benchmarks makes fair comparison difficult and hinders further innovation, and thus benchmark standardization is in urgent need. Furthermore, many published glucose forecasting algorithms are limited to CGM data alone, ignoring other multimodal signals such as insulin dosing and carbohydrate intake. Here, we introduce MetaboNet-Bench, a benchmark for multimodal glucose forecasting for patients with type 1 diabetes that provides an extensible open-source evaluation framework for comparison of glucose forecasting algorithms that leverage glucose, insulin, and carbohydrate data. We then demonstrate its utility by benchmarking several recently published glucose forecasting models and a custom multimodal time-series model, representing different model architectures. The results show that the benefit of adding data modalities is conditioned on the complexity of the model and that incorporating more clinical metrics helps identify meaningful gaps to fill for future research.
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All authors Nathaniel Jeffries, Miriam Wolff, Sam Royston, Elizabeth Healey, Caleb Mayer, David Klonoff, Michael Snyder, Tao Wang

Machine Learning

PACT: Preserving Anchored Cores in Task-vectors for Model Merging

Model merging has emerged as a training-free alternative to multi-task learning, aiming to combine multiple task-specific fine-tuned models into a single multi-task model. Most existing model merging approaches follow the Task Arithmetic paradigm, which decomposes fine-tuned weights into pre-trained parameters and task vectors, and performs merging exclusively in the task-vector space. The effectiveness of this paradigm implicitly relies on the assumption that task-specific knowledge is encoded solely within task vectors. We argue that this assumption generally does not hold due to the intrinsic task preferences of pre-trained models. Specifically, we identify Load-Bearing Wall (LBW) dimensions, namely some task-critical knowledge that remains embedded in the pre-trained weights rather than being fully transferred into task vectors. We characterize LBW dimensions from both scalar-weight and subspace perspectives, thereby covering the major paradigms of existing model merging methods. Our analysis reveals that, by ignoring LBW dimensions, task-vector-based approaches fail to fully resolve task conflicts and may inadvertently damage task-specific knowledge encoded in the pre-trained model, leading to degradation. To address this issue, we propose PACT, which preserves the anchored task-specific cores (i.e., LBW dimensions) within task vectors by aligning their orthogonal complements with the subspace of the pre-trained weights. These aligned subspace components are then removed from the task vectors before applying existing model merging algorithms. Furthermore, we develop an efficient variant based on randomized SVD to improve scalability. PACT can be seamlessly integrated with existing methods. Extensive experiments across multiple benchmarks demonstrate that PACT consistently enhances mainstream model merging approaches and establishes new state-of-the-art performance.
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All authors Ningyuan Shi, Zhipeng Zhou, Hao Wang, Chunyan Miao, Peilin Zhao

Machine Learning

Towards Anomaly Detection on Relational Data

Relational databases are widely used for managing structured data in real-world systems. Detecting anomalies from such relational data is crucial for identifying fraud, risks, and abnormal behaviors, yet remains under-explored. The key challenges lie in the intrinsic complexity of relational data: multi-table attributes are high-dimensional and heterogeneous, making sparse abnormal clues easy to overwhelm by normal or irrelevant information. Moreover, anomalies may further manifest as abnormal connection patterns across different foreign-key relations, which existing tabular and graph anomaly detection methods are ill-suited to capture. To address them, we propose RelAD, a reconstruction-based framework that captures anomalies from both attribute and relational edge reconstruction. RelAD contains two core modules: conditional sparse-gated attribute reconstruction, which suppresses redundant multi-table attributes and emphasizes abnormal semantic blocks, and dual-view multi-relational edge reconstruction, which detects relation-specific abnormal connections from both intrinsic and behavioral instance profiles. The resulting attribute and relational signals are integrated through a lightweight fusion module to produce the final anomaly score. We further construct 6 benchmark datasets with systematic anomalies, on which extensive experiments show that RelAD consistently outperforms baselines while achieving competitive efficiency..The source code is available at https://github.com/Shiy-Li/RelAD.
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All authors Shiyuan Li, Yunfeng Zhao, Yue Tan, Qingfeng Chen, Yixin Liu, Shirui Pan

Machine Learning · Cross-listed from cs.SD

QC-GAN: A Parameter-Efficient Quaternion Conformer GAN for High-Fidelity Speech Enhancement

We propose a parameter-efficient speech enhancement framework, Quaternion Conformer GAN (QC-GAN), which combines a Quaternion Conformer generator with MetricGAN-based training. The Hamilton product encodes the magnitude and phase via structured weight sharing, reducing the number of layer parameters while preserving their interdependencies. A metric-learning discriminator was employed to maximize perceptual quality by optimizing the approximate perceptual evaluation scores. On the VoiceBank+DEMAND dataset, QC-GAN achieved a Perceptual Evaluation of Speech Quality (PESQ) score of 3.48 with only 0.89M parameters, delivering a performance comparable to state-of-the-art models at less than half their size. A 35K-parameter variant achieved a PESQ score of 3.23, surpassing conventional methods with significantly fewer parameters. Evaluation on the DNS-Challenge 3 dataset further confirmed generalization to real-world conditions.
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All authors Shogo Yamauchi, Hideaki Tamori, Makoto Sakai, Yosuke Yamano, Tohru Nitta

Machine Learning · Cross-listed from cs.AI

Optimizing Lithium Production Decisions under Geological, Demand, and Pricing Uncertainties: A POMDP Framework for Multi-Objective Decision Making

Decision making in lithium production is challenging, whether from an investor's perspective or a strategic production standpoint. Determining which mines to open and when to open them involves not only geological and price uncertainties, but also complexities around the choice of extraction method, from direct lithium extraction to hard rock mining. Prior work explored models of this problem and different methods to optimize mining decisions; these models did not account for uncertainty in pricing, uncertainty in demand, or different mining technologies to extract lithium. Incorporating different pricing models and extraction technology into these models enables more robust strategies for determining not only when and where to open a mine, but also which method of production to pursue. We frame the problem as a partially observable Markov decision process (POMDP) and solve using belief state planning methods to get optimal decision making. In our study, we show that POMDP solvers outperform human inspired heuristics by dynamically adapting to shifting lithium price regimes (static, linear, exponential, and stochastic) through belief state planning and explicit uncertainty management. By optimally sequencing exploration, production, and technology choice, the framework achieves higher demand fulfillment and more balanced economic environmental outcomes over the projects lifetime in all different pricing and deposit scenarios.
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All authors Anna C. Edmonds, Mansur M. Arief, Robert J. Moss, Mykel J. Kochenderfer, Jef Caers

Machine Learning

Fair Cognitive Impairment Detection Through Unlearning

Mild Cognitive Impairment (MCI) is a medical condition characterized by a noticeable decline in memory, language, or thinking abilities. MCI detection from spontaneous speech is promising for scalable screening. However, learned models often exploit demographic cues correlated with labels, resulting in a large performance gap across subgroups. We present a multimodal framework that combines (i) cross-model fusion between modalities (speech, text, and image), and (ii) unlearning using gradient reversal that discourages the shared embedding from encoding task-irrelevant demographic attributes. Evaluated on the multilingual benchmarks TAUKADIAL and PREPARE, our method outperforms the state-of-the-art multilingual and multimodal baseline in MCI classification while substantially reducing the performance gap across patient subgroups (sex and language). We further analyze transfer across datasets, showing that demographic unlearning helps learn more robust representations for MCI detection.
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Machine Learning · Cross-listed from stat.ML

Bridging Data Gaps in Structural Fragility Modeling through Transfer Learning: Methodology and Case Studies

This paper presents a methodology-centered transfer learning framework for fragility adaptation under domain shift, class imbalance, and scarce target labels while preserving engineering interpretability and supporting decision-making under uncertainty. Four transfer learning strategies (instance-based, parameter-based, hierarchical Bayesian, and multi-source) are demonstrated through three complementary case studies: (i) instance-based transfer learning via importance weighting, demonstrated on coastal bridge fragility using Hurricane Katrina observations; (ii) parameter-based transfer learning together with hierarchical Bayesian transfer learning, enabling partial pooling across strata and posterior uncertainty quantification, demonstrated on residential building fragility using Hurricane Ian observations; and (iii) multi-source transfer learning that fuses multiple analytical fragility models with learned source weights and regularized target-domain adaptation, demonstrated on seismic bridge fragility using observations from the 2001 Nisqually earthquake. Across these case studies, direct transfer of source models (i.e. using existing state-of-the-art models) fails under domain shift and severe class imbalance, while targeted adaptation substantially improves failure detection and predictive stability in low-data regimes. These findings highlight the need for systematic guidance on diagnostics, strategy selection, and uncertainty reporting when developing and adapting fragility models.
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Machine Learning

Correcting Sensor-Induced Distribution Drift with Wasserstein Adversarial Learning

The quality of recorded data depends on the stability of the sensor system that acquires it. Sensor motion and aging can degrade the performance and stability of downstream data-driven methods. We present a Wasserstein-GAN-inspired approach for unsupervised inference of physically interpretable transformation parameters that map a changed detector response distribution back to a nominal reference distribution. In contrast to standard generative modeling, the generator is used as a learnable calibration transformation whose trainable weights represent the sought parameters, while the critic provides a distributional distance signal via the Wasserstein objective. We validate the approach on a tracking-detector toy model with controlled layer shifts and demonstrate its application on high-granularity Geant4-simulated calorimeter data with cell-wise aging effects. The method recovers aging coefficients for individual cells with correlation to ground truth and improves agreement between calibrated and reference energy-sum distributions, while exhibiting the expected degradation at increasing channel-to-channel noise levels. These results indicate that adversarial distribution matching can serve as a data-driven component of calibration strategies in settings where direct labels for degradation parameters are unavailable.
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All authors Saraa Ali, Vladimir Bocharnikov, Fedor Ratnikov, Mikhail Hushchyn, Artem Ryzhikov, Denis Derkach

Machine Learning · Cross-listed from cs.AI

DeFAb: A Dataset for Grounded Scientific Discovery through Defeasible Abduction

A theory can accommodate a counterexample by adding an exception. The harder problem is deciding how far the exception should extend and which predictions should survive. We present DeFAb, a dataset and symbolic verification framework built from curated biological knowledge in the Gene Ontology. Models fill gaps in a theory or propose exceptions to its rules. A verifier checks the consequences of each edit, allowing different solutions to receive credit. Simple symbolic repairs solve all 336 tasks in the released evaluation panel. This result exposes a limitation of the revision test. An exception tied to one entity can succeed without identifying a pattern that applies to other cases. We develop a contextual task that requires an exception to reach the relevant cases and preserve predictions elsewhere. Two planned studies compare training with verified and rejected examples, and revision with and without feedback about consequences. DeFAb makes the scope of a proposed explanation testable, providing a controlled step toward studying theory revision in scientific reasoning.
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Tuesday 16 June

Machine Learning · Cross-listed from cs.AI

The Signal in the Noise: An Auditable Reliability Layer for Biomedical Text Classification

Biomedical NLP pipelines routinely presuppose clean input text, yet large-scale corpora assembled through automated PDF parsing harbour pervasive OCR-like artifacts, token splits and merges, hyphenation remnants, and character-level corruption, that systematically erode lexical evidence and degrade downstream classifiers. We introduce a conservative, fully auditable spell-correction reliability layer conceived as a safety-oriented preprocessing module rather than a maximal-accuracy corrector: under conditions of uncertainty, the system abstains from editing, in accordance with a medical do-no-harm philosophy. The deterministic architecture couples bounded edit-distance candidate generation with corpus-derived n-gram scoring and a suite of biomedical safety gates that protect domain-critical terminology. We evaluate the layer both intrinsically, on a manually curated benchmark of 2,104 token-level cases, and extrinsically, on a tri-class CORD-19 topic classifier (Prevention, Treatment, Epidemiology) spanning 10,000 examples under a principled four-run protocol (Clean, Noisy, Restored, Safety). Intrinsically, the layer attains 94.61% error-fix recall on synthetic errors with zero harmful edits on negative controls. Downstream, it recovers approximately 80.45% of the noise-induced macro-F1 degradation, elevating macro-F1 from 0.7654 (Noisy) to 0.7717 (Restored) while preserving near-clean performance (Safety: 0.7721). A supplementary case study on 103 real-world OCR-extracted abstracts classified with BioBERT confirms that transformer encoders appeared relatively robust to mild noise, motivating a future grey-box architecture that integrates bounded neural signals and UMLS lexicons without compromising auditability. The system is fully deterministic, artifact-driven, and designed with deployment and auditability in mind.
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Machine Learning · Cross-listed from cs.CL

Exploratory As-Analyzed No-Detection of Culturally-Marked Predicate-Triggered PII Amplification in a Synthetic-English RAG Probe: A Predicate-Resource-Confounded Audit

We ask whether stereotype-loaded queries about culturally marked people leak more personal information from a retrieval-augmented generation (RAG) system than otherwise-equivalent neutral queries. We pre-register a four-culture audit (en-Anglo, es-LATAM, Arabic, Hindi) on a synthetic English PII corpus, comparing five query arms we call the Stereotype-Trigger Leakage Delta (STLD). Two caveats up front. Our locked confirmatory estimator was never run, so every test in the paper is exploratory or sensitivity, with all plan deviations listed in the appendix. And the name-leakage metric is contaminated by a prompt-echo artifact: the model often just re-emits the name we asked about, which inflates apparent leakage without any retrieval at all. On the cleaner channels (email, phone, ssn-like, address), we find no stereotype-driven amplification on any of the four cultures after multiple-comparison correction. Because our sample is only powered for mid-sized effects, and because the culturally marked probes mix stereotype content with cultural markers and heritage practices, we present this as no detection, not evidence of no effect, of culturally marked predicate leakage that is confounded with the underlying resource.
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Machine Learning

Bridge Graphical Models: Coupling, Projection, and Current-Preserving Dynamics for Generative Modeling

Continuous-time generative models are often built from endpoint-conditioned bridges, but generation requires a different object: a non-anticipative Markov decoder that only observes the current state and time. We identify this bridge-to-decoder compression as a structural bottleneck shared by diffusion models, flow matching, rectified flow, Schrödinger bridges, and field-based generative models. We introduce the Markovization gap, the time-integrated conditional variance of the bridge velocity given the Markov state. It is the MMSE of predicting endpoint-conditioned motion from the information available to a sampler, and it measures an irreducible loss incurred before any neural network is trained. To make this bottleneck comparable across model families, we define Bridge Graphical Models (BGMs), which separate endpoint coupling, bridge law, Markovian projection, and current-preserving dynamics representation as independent design choices. The same formalism also represents Poisson and electrostatic models as field-line bridge kernels with a corresponding field-line Markovization gap. Across synthetic, latent, and pixel-space pilots on CIFAR-10 and Fashion-MNIST, a feature-space proxy gap estimated in minutes before training ranks design choices in the same direction as downstream training loss and FID under fixed architecture, bridge, sampler, and compute. These results support the Markovization gap as a pre-training diagnostic for bridge and coupling design.
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Machine Learning · Cross-listed from cs.NI

Evaluating the impact of adversarial traffic patterns on vanet communication using veins simulation

Vehicular Ad Hoc Networks (VANETs) are a key component of intelligent transportation systems, enabling real-time communication between vehicles. However, their open and dynamic nature makes them highly vulnerable to adversarial behaviors that can disrupt communication reliability. This paper investigates the impact of adversarial traffic patterns on VANET performance using the Veins simulation framework integrated with OMNeT++ and SUMO. We design and evaluate multiple adversarial scenarios, including message flooding, false information dissemination, and coordinated congestion attacks, under varying traffic densities and mobility conditions. The study measures key performance metrics such as packet delivery ratio (PDR), end-to-end delay, and network throughput. Experimental results show that adversarial traffic can reduce PDR by up to 96.55%, with message flooding at low density producing a throughput reduction of 27.89%, and significantly degrade overall network efficiency. The findings highlight critical vulnerabilities in VANET communication and provide insights into designing more resilient and secure vehicular networks.
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Machine Learning · Cross-listed from physics.comp-ph

Characterization of Thermal Systems from Noisy and Low-resolution Measurements Using Dynamic Mode Decomposition

Thermal monitoring in practical applications is often constrained by sparse sensing, measurement noise, and limited spatial resolution, which hinder the identification of heat transfer dynamics. In such settings, calibrating high-fidelity physical models is computationally demanding, motivating data-driven approaches. Dynamic Mode Decomposition (DMD) provides a framework for extracting spatiotemporal structures from measurement data, but its standard formulation is sensitive to noise and degraded observations. This chapter examines the use of DMD under these constraints, focusing on preprocessing and truncation strategies that affect stability and interpretability. Two cases are considered: forced convection with thermocouple data and transient heat conduction from degraded thermal images. The number of retained modes is treated as a modeling parameter that governs the trade-off between reconstruction fidelity and noise sensitivity. The results indicate that DMD recovers dominant thermal behavior from both sparse and degraded datasets when the truncation level is appropriately selected. Low-rank models provide stable but simplified descriptions, while higher-rank models improve spatial detail at the cost of increased noise sensitivity.
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All authors M. E. P. Silva, L. S. Araujo, F. T. Colombo, A. Cunha Jr, S. da Silva

Machine Learning · Cross-listed from math.OC

A Resolution of the SS–RS–GD Inequalities

Yun, Sra, and Jadbabaie (COLT 2021, open question) conjectured the SS–RS–GD inequalities: for well-conditioned symmetric matrices $A_1,\dots,A_n$, the operators $W_{ss}$, $W_{rs}$, and $W_{gd}$ that encode the expected iterate of single-shuffle SGD, random-reshuffle SGD, and gradient descent on a quadratic finite sum should satisfy \[ \|W_{ss}\|\le \| W_{rs}\|\le \|W_{gd}\|. \] The conjecture is resolved, $\bullet$ SS-RS inequality fails. Already for $n=3$, $K=2$, and $d=4$, we exhibit explicit PSD matrices whose condition number is arbitrarily close to $1$, yet $\|W_{ss}\|>\|W_{rs}\|$. $\bullet$ RS-GD inequality holds. For every symmetric $A_i$ with $\bigl(1-\frac1{4n^2+1}\bigr)I\preceq A_i\preceq I$, one has $\|W_{rs}\|\le\|W_{gd}\|$. The proof was found via GPT-5.5 Pro extended prompted by the author.
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Machine Learning · Cross-listed from stat.ML

Generalized Neural Distributional Regression

We introduce the Generalized Neural Distributional Regression (GNDR) framework, which seamlessly embeds deep neural networks into the parameter space of classical probability distributions. To reconcile the inherent non-identifiability of deep architectures with maximum likelihood theory, we propose a two-step semi-parametric estimation procedure. By isolating the terminal prediction heads and treating the upstream network as a fixed, non-linear basis expansion, GNDR enables the extraction of analytical Fisher Information matrices. This facilitates rigorous uncertainty quantification, generating observation-specific confidence bands and tolerance intervals via the multivariate Delta method. We demonstrate the framework's versatility and superior distributional calibration across diverse data modalities, including overdispersed clinical counts, right-censored transcriptomic survival profiles under a mixture cure framework, and zero-truncated age distributions derived directly from unstructured facial images. The methodology is natively implemented in the open-source Python package thetaflow.
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Machine Learning · Cross-listed from physics.ao-ph

Predictive Modeling of High-Altitude Clear Air Turbulence in the United States: A Machine Learning Approach

High-altitude Clear Air Turbulence (CAT) poses significant risks to aviation safety due to its unpredictability and challenges in detection. This study leverages machine learning models to improve CAT prediction within U.S. airspace at 200-350 hPa pressure levels, utilizing Pilot Reports (PIREPs), ERA5 reanalysis data, and aircraft aerodynamic parameters from the BADA database. Gradient boosting algorithms, particularly XGBoost, achieved the highest performance with an AUC of 0.904, demonstrating superior capability in capturing non-linear atmospheric dynamics. Key findings highlight the dominance of geographic coordinates (17.5% feature importance) and turbulence indices like TI3 in prediction, emphasizing the role of regional topography and upper-tropospheric instability. The integration of aerodynamic features such as drag force and wing loading improved the detection of moderate-to-severe perceived turbulence intensity (POD improved from 0.845 to 0.866), providing additional value to traditional aircraft-independent methods. Seasonal analysis revealed winter months as peak periods for CAT incidents, correlating with jet stream activity. While results align with global studies, limitations include geographic scope and aircraft-type diversity. This research underscores the potential of machine learning for operational CAT forecasting, with recommendations for future work focusing on global data integration and real-time telemetry to address climate-driven turbulence trends.
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Machine Learning · Cross-listed from cs.CY

Can Physician Expertise Improve Machine Learning Identification of Delirium?

Delirium is common in hospitalized patients and is often missed in routine care. We present a user-centered interactive machine learning (UC-iML) framework for delirium detection support that combines physician-guided feature refinement with interpretable modeling. Using 3,862 labeled admissions from six Toronto hospitals in the General Medicine Inpatient Initiative (GEMINI), we integrate administrative variables, laboratory results, medications, and a radiology-derived text indicator. Physicians guide feature refinement and model evaluation, and Shapley Additive exPlanations (SHAP) are used to summarize feature attribution. We evaluate standard supervised classifiers with temporally separated holdout testing and a later-phase validation cohort. Compared with automated and baseline variants, the proposed framework shows better overall discrimination and stronger temporal robustness, while the explanations highlight clinically meaningful signals. These results support UC-iML as a practical human-in-the-loop framework for clinically relevant delirium modeling.
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All authors Xinyu Qin, Vicky Ye, Ruiheng Yu, Lu Wang

Machine Learning · Cross-listed from cs.AI

When Web Agents Finish but Still Fail: Reproducible Triggers and Trace Diagnostics for Parallel Web Exploration

Long-horizon web agents often fail in ways hidden by final-answer evaluation: they may visit useful pages, produce a well-formed answer, and terminate confidently while still missing fields, over-including unsupported items, or relying on stale evidence. We study these failures with Parallel WebBench, a parallel web-exploration benchmark containing 1,679 verified records: 350 manually curated parallel tasks and 1,329 reconstructed records with verified URL-based trajectories. We train WebExplorer-style agents with GRPO under human-only, balanced human-synthetic, and synthetic-heavy data mixtures. At 16k context and 16 interaction rounds, the best GRPO model improves completion over WebExplorer-8B from 50.7% to 96.0% and GPT-4.1-mini-judged element-wise F1 from 0.2489 to 0.4529, but binary accuracy remains far below completion. Trace-level analysis identifies three persistent failure modes: context-bound search loops, premature termination on partial answers, and synthesis collapse after relevant evidence has already been retrieved. These results show that synthetic-data GRPO reduces abstention and improves partial correctness, but leaves a completion-correctness gap that requires evidence-grounded coverage and synthesis diagnostics.
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All authors Aagam Sogani, Botao Rui, Swetha Vaidyanathan, Rishi Agarwal, Minghao Yan, Shivaram Venkataraman

Machine Learning · Cross-listed from cs.GR

Multimodal Image Colorization: Quantifying the Impact of Text-Conditioned Guidance on Grayscale-to-Color Translation

Grayscale images are commonly found in historical photography restoration, medical imaging, and artistic media. However, automatically applying color to these images remains a significant challenge in computer vision because many plausible colorizations can correspond to the same grayscale input. In this work, we quantify the effect of text conditioning on pixel-level and perceptual metrics for grayscale-to-color image models. Specifically, we compare two architectures, a U-Net and Stable Diffusion 1.5, each tested with and without CLIP text conditioning while holding all other variables constant. Our results show that text conditioning improves PSNR by 5.6%, SSIM by 1.2%, and colorfulness by 36.6%, while reducing LPIPS by 7.6% in the U-Net tier. In the Stable Diffusion tier, text conditioning improves PSNR by 5.8%, SSIM by 1.5%, and colorfulness by 0.6%, while reducing LPIPS by 11.3%. These results indicate that text conditioning provides consistent, measurable improvements to colorization quality across both architecture scales.
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Machine Learning · Cross-listed from cs.SD

A Generalized Formalism of Auto-Regressive Decoding for Speech Processing

In speech processing, most state-of-the-art sequence prediction models rely on auto-regressive (AR) strategies to generate output sequences based on the raw predictions of the model. Despite their crucial role in the inference process, a comprehensive overview of AR strategies as a unified field is lacking, due largely to implicit and multiple definitions of next-token decoding. This context complicates the choice, comparison, and evaluation of strategies, while creating inconsistencies in the characterization of approaches as auto-regressive or not. We begin by setting explicit inclusion criteria for the field of AR search in speech processing, and derive a generalized theoretical framework to categorize and report on search strategies for neural models. We show the capabilities of this formalism in simplifying the design of benchmarks centered around the decoding process, allowing for ablation studies that are focused on search strategies.
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All authors Julia Gachot, Philipp Allgeuer, Marie S. Bauer, Stefan Wermter

Machine Learning

TS-Fault: Benchmarking Time Series Forecasters Against Structural Faults

Time series forecasting (TSF) underpins consequential decisions in energy, transportation, finance, and healthcare, yet TSF models are almost universally ranked by a single number (e.g., average error) on clean held-out data, under the implicit assumption that it predicts deployed reliability. However, real faults are not i.i.d noise but structured events with temporal shape, broken cross-variable dependencies, regime change coupled with missingness, and causal propagation across a sensing pipeline. Treating TSF robustness as a data-quality problem, we present TS-Fault, a benchmark that evaluates forecasting models under explicit, parameterized fault scenarios with controllable semantic difficulty. TS-Fault organizes recurring failures into four modes along two orthogonal axes (observation- vs mechanism-level; univariate vs multivariate) and injects each fault into the most prediction-critical window via a unified importance score. This design enables robustness to be tested against the structures models actually rely on, rather than reduced to generic noise sensitivity. We evaluate 21 models across 6 datasets, 4 modes, and 5 difficulty levels under a paired clean/corrupt protocol. The results reveal three findings that contradict common leaderboard intuition: (i) clean-data accuracy anti-correlates with robustness; (ii) clean rankings are preserved under observation-level faults but reshuffled under mechanism-level faults; and (iii) all catastrophic failures occur under mechanism-level faults, with foundation models achieving the highest clean-data accuracy yet exhibiting the greatest fragility. The code is publicly available at https://github.com/Ray-zyy/TS-Fault.
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All authors Yuyang Zhao, Lian Xu, Hao Miao, Chenxi Liu, Hao Xue

Machine Learning

Effects of sparsity and superposition on loss in simple autoencoders

One of the major difficulties in the mechanistic interpretability of neural networks is the occurrence of polysemanticity, which suggests that each neuron is typically responsible for multiple different tasks, impeding a clean interpretation of their function. The seminal paper of Elhage et al. (2022) argues that this occurs due to superposition, a phenomenon where the neural network represents distinct features as non-orthogonal directions in a lower-dimensional space, a strategy that allows much greater compression of the data without sacrificing fidelity due to the feature sparsity of input vectors. Elhage et al. (2022) empirically validates these hypotheses in a rather natural and simple autoencoder with sparse inputs. The contribution of the present work is to analyze the mathematical basis for the occurrence and optimality of superposition, while rigorously corroborating some of their findings. In particular, we provide upper and lower bounds for the L2 reconstruction loss, tight in the very sparse regime, for power activation functions. A short list of interesting open problems are also included at the end.
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Machine Learning

Do as the Romans Do: Learning Universal Behaviors from Heterogeneous Agents

Humans often acquire new skills by observing others, since observed behaviors implicitly reveal how to act reasonably in an environment. However, observations drawn from a heterogeneous population introduce conflicting behavioral signals, making it difficult to determine which behaviors are worth imitating. We address this challenge with General Reward Inference and Disentanglement (GRID), a social learning method that extracts universally useful behaviors from a heterogeneous population of demonstrators pursuing different goals. GRID decomposes per-agent reward functions into a general reward, capturing behaviors shared across all agents, and specific rewards, capturing individual preferences and objectives, through an information bottleneck. Training exclusively on the general reward provides a new paradigm of generalist pretraining. It yields a generalist agent that internalizes universal environmental competencies, such as safety and basic task proficiency, without the mode-averaging bias that afflicts standard learning from demonstration techniques. This generalist serves as a strong prior for fine-tuning to downstream tasks, including preferences unseen during training. Experiments across a synthetic basis function decomposition, multi-agent Craftax, continuous control tasks (MuJoCo Gym) and an autonomous driving simulator (Highway-Env) confirm that GRID successfully disentangles reward structure in a semantically meaningful way, outperforms standard learning from demonstration baselines, and enables more efficient and stable specialization.
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All authors Caleb Chang, Davin Win Kyi, Natasha Jaques, Karen Leung