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Monday 3 August

Machine Learning · Cross-listed from cs.DB

FastGFDs: Efficient Validation of Graph Functional Dependencies with Desbordante

Graph functional dependencies (GFD) are a recently-developed concept aimed at capturing both topological structures in graphs and functional dependencies between attributes. The process of verifying whether a given GFD holds over a particular graph is referred to as GFD validation. In this very computationally expensive problem, locating suitable subgraphs accounts for about 99% of the total run time. The concept's authors originally proposed a parallel scheme (algorithm), targeting specifically clusters of high-performance servers. The goal of this study is to open GFD validation to a broader public by making it possible to run it on a consumer class PC. Our initial experiments demonstrated that the existing algorithm may not be optimal for these purposes. Therefore, we propose FastGFDs - a GFD validation algorithm that employs a recently developed graph matching technique. In contrast to the parallel scheme, it is sequential and operates on the entire graph. Its novelty lies in the use of Core-First Decomposition and the Compact Path Index (CPI). We compare it with the naive sequential algorithm and the parallel scheme, evaluating run times and memory consumption. The current study is the first step towards designing an efficient algorithm for GFD validation in low-end single-node environments. We also provide an open-source implementation of GFD validation over large data graphs. To the best of our knowledge, this is the only publicly available implementation of an algorithm for this problem. It is developed in Desbordante - an open-source high-performance data profiler aimed at science-intensive tasks. Finally, our experiments on a real-life graph demonstrated up to three times performance (2.6x on average) improvement over the parallel scheme. Employing the new subgraph matching algorithm also reduced memory consumption by five times.
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All authors Anton Chernikov, Yurii Litvinov, Kirill Smirnov, George Chernishev

Machine Learning · Cross-listed from cs.CV

The Push-Forward Transform for Continuous and Robust Comparison of Dynamic Shapes

We introduce a mathematical framework for shape comparison based on mapping functions from the shape domain to a common reference domain. This Push-Forward Transform enables invariant and robust comparison of shapes, preserving intrinsic geometric information. Quantitatively comparing shapes and their temporal evolution is a fundamental challenge in image analysis. Meaningful shape comparison requires representations that are invariant to transformations that do not alter shape itself, such as translation, rotation, reflection, re-parametrization, and uniform scaling, while remaining sensitive to intrinsic geometric variation. Existing approaches often rely on sensitive parameterizations, landmark correspondence, or learned representations that are difficult to interpret and reproduce. We show that the Push-Forward Transform (PF-T) applied to Signed Distance Functions (SDFs) yields a continuous representation that captures both boundary and interior geometry. We derive an interpretable morphometric that quantifies shape similarity and reveals features such as skeletal topology and rotational symmetries. The push-forward transform applies consistently to two- and three-dimensional shapes, extends to time-evolving geometries, and supports the joint analysis of shape and additional scalar fields defined over shapes, such as intensity or molecular signals. We present the mathematical formulation, describe an efficient algorithm, and benchmark the approach on 2D, 3D, and temporal data sets.
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Machine Learning

BRiG-AFA: Bellman Risk-to-Go Learning for Non-Myopic Active Feature Acquisition

Active feature acquisition (AFA) asks which unobserved feature to measure next for each test instance under a budget. Greedy rules are easy to train but can overlook context features whose value is realized only through later acquisitions, while reinforcement-learning and generative approaches introduce difficult optimization or conditional-density estimation. We introduce \method, a deployable, supervised alternative that learns a separate candidate-conditioned risk-to-go function for every remaining budget. Starting from the one-step terminal classification risk, the functions are fitted backward with Bellman targets; inference greedily minimizes the learned terminal risk using only observed values, the mask, candidate identity, and remaining budget. A controlled non-myopic benchmark shows the expected mechanism: at budgets two and three, \method improves accuracy over its one-step ablation by $4.84\pm2.17$ and $4.39\pm1.10$ percentage points (mean $\pm$ standard error over five seeds). On Fashion-MNIST with 20 candidate pixels, it improves accuracy at every nontrivial reported budget on average, including $10.20\pm0.74$ points at four acquisitions; its mean paired gain across budgets $\{2,4,8,12,16\}$ is $3.50\pm0.37$ points. A three-seed MiniBooNE study is mixed at small budgets but positive at 8 and 16 acquisitions, identifying a current boundary rather than supporting a universal claim. These results establish a reproducible mechanism-level case for direct Bellman risk regression and delimit the experiments still needed for state-of-the-art comparison.
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Machine Learning · Cross-listed from cs.AI

Trajectories That Segment Themselves: Agent-Declared Boundaries as a Training Unit

Long-horizon coding-agent trajectories are poorly matched to the credit units available to train on: a single action has no stable value, an episode label merges productive exploration with abandoned directions, and a fixed window cuts where the logging mechanics fall. We introduce collection-time semantic self-segmentation, in which a declarative contract has the acting agent expose its own boundaries while the trajectory is generated. Instantiated with falsifiable causal hypotheses, successive adoptions expose variable-length semantic phases, and no milestone vocabulary, gold patch, environment replay, teacher logits, or retrospective segmenter places a boundary. Because the agent names its conjecture, a reviewer can negate it by name, which lets our protocol manufacture wrong-cause-then-correction transitions that recorded work rarely contains; one collection then yields four supervised targets, including audit supervision from exactly the failed regions an episode label discards. We then ask what survives deleting the declaration. Given the cut points but not the hypothesis, a model attributes action blocks to their governing hypothesis at over twice chance, beating equal-length blocks over the same trajectories (paired sign test $p = 0.0002$), surviving a lexical control and collapsing under label permutation. Asked instead to place boundaries, a code-blind annotator matches 24 of 40 where random placement matches 11.5, while a mechanical test-event rule beats chance at neither end of a strict-to-permissive sweep. The segments are therefore coherent and not cheaply reproducible. Downstream, DPO on 2,551 phase-boundary pairs changes no decision on 91 adversarial held-out items, while four of 60 change on matched-construction items, all wrong to right, where two controls change none: with 1,825 pairs from one generator, the variable to vary next is corpus diversity, not the boundary.
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Machine Learning · Cross-listed from cs.CV

Extended Field of View Analysis for VideoGAN-based Trajectory Generation

Realistic and diverse trajectory generation is central to enabling higher levels of vehicle automation. While rule-based and classical learning-based methods may struggle to capture the complexity of traffic behavior, generative models have already demonstrated in other fields that they can handle a comparable level of complexity. In this paper, we build upon previous work on generative adversarial network (GAN)-based semantic bird's-eye-view traffic generation and extend the proposed framework in several key aspects. We improve the semantic representation, replace the trajectory extraction procedure with a graph-based association method, and systematically investigate increasingly larger fields of view. In addition, we introduce a quantitative evaluation framework to assess hallucinations and object permanence in generated videos. Our experiments demonstrate that the framework generalizes to larger and more complex traffic scenes while maintaining statistically realistic trajectories and coherent spatial relationships between traffic participants. Within 150GPU hours of training and with inference times below 20ms for scenes of up to 20s, our results demonstrate that video-based GANs remain an efficient and scalable approach for realistic trajectory generation, even in substantially larger traffic scenes, making them well suited for downstream tasks such as prediction, planning, and simulation in automated driving.
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Machine Learning · Cross-listed from cs.CR

A Multi-Objective AutoML-based Efficient Intrusion Detection System for EV Charging Networks

Electric Vehicle Charging Systems (EVCSs) are increasingly connected with Internet of Things (IoT) devices, which improves charging intelligence but also expands their exposure to cyber-attacks. Intrusion Detection Systems (IDSs) are essential for securing EV charging networks; however, conventional Machine Learning (ML)-based IDSs often rely on manual model design and mainly optimize detection performance without fully considering inference latency and model size. In this paper, a Multi-Objective Automated ML (MOO-AutoML)-based efficient IDS is proposed for EVCS security. The proposed framework uses a lightweight training strategy and a LightGBM-based automated feature selection method to select compact feature subsets based on accumulated feature importance. Then, Non-dominated Sorting Genetic Algorithm III (NSGA-III) jointly optimizes the feature selection threshold and key LightGBM hyperparameters under three objectives: maximizing weighted F1-score, minimizing 99th percentile inference latency ratio, and minimizing model size ratio. Experiments on CICEVSE2024 and CICIDS2017 show that the proposed MOO-AutoML IDS achieves competitive weighted F1-scores, lower P99 inference latency, and smaller model sizes than the compared methods. Overall, the results indicate that the proposed method can support accurate and efficient intrusion detection for EVCS and IoT security under practical deployment constraints.
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Machine Learning

Z-PEFT: Zero-shot Backdoor Detection in Parameter-Efficient Fine-Tuning via Canonical Spectral Signatures

Parameter-Efficient Fine-tuned (PEFT) models are frequently downloaded from open repositories by practitioners. This widespread practice creates a significant attack surface, as malicious actors can publish backdoored models that induce specific behaviors in response to predefined triggers. We study the problem of weight-space backdoor detection, where a detector classifier predicts whether a model is malicious using only its weights, enabling a lightweight safety mechanism. Most existing methods are designed and evaluated in a closed-world setting, where the detector is trained and tested on the same attack type. In contrast, we evaluate backdoor detection under novel conditions, including previously unseen attacks and datasets. We propose Z-PEFT, a lightweight meta-classifier that relies exclusively on layer-wise spectral measures for classification. Our experiments show that strong performance in the closed-world setting does not necessarily translate to high accuracy in zero-shot backdoor detection. Among weight-space detectors, Z-PEFT achieves the best performance while maintaining low and scalable computational cost.
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All authors Nicola Pitzalis, Donald Shenaj, Giacomo Cignoni, Andrea Cossu, Davide Bacciu, Antonio Carta

Machine Learning · Cross-listed from cs.AI

Self-Certification of Representation Adequacy: Sequential Certification at Minimum Task Loss

Agents that act on a compressed representation of their history face a structural risk: if the representation aliases histories with different optimal actions, no rule measurable with respect to the representation can avoid an irreducible per-round loss, and the agent may be unable to detect this from its own transcript. This paper develops a four-layer theory of self-certification of representation adequacy. The static layer defines decision-theoretic adequacy through a Bayes-risk grouping identity and prices a one-shot external verification by an exact total-variation threshold. The sequential layer poses certification as an optimal-stopping problem in the currency of task loss: we define an environment-wise certification complexity constant through a covering linear program, prove an information-task-loss lower bound for every delta-correct strategy, and give a Certification Track-and-Stop policy whose cost matches the bound asymptotically. A final boundary layer gives an explicit kernel-switching example and identifies the open theorem needed to cover policy switching or representation repair; it does not claim that the fixed-kernel guarantees extend to representation revision. The proofs of the two main theorems are given in full in the appendices.
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Machine Learning

Assessing the Impacts of Imperfect Datasets on Client Selections in Federated Learning

Federated learning (FL) is a popular distributed learning framework where multiple clients perform local training and a server aggregates the locally updated models. FL enables decentralized training while preserving the privacy of clients' datasets. However, non-independent and identically distributed (non-IID) or noisy datasets can lead to low model accuracy or high convergence latency. Precluding these clients through client selection may mitigate the problem, but heavily biased client selections may also degrade the learning performance. In this study, we first experimentally measure the impact of non-IID data (including skews in data quantity and label distribution), noisy data, and fairness in client selection on model accuracy and convergence. We then propose a privacy-preserving scoring method to assess each client's contribution in FL, with experiments conducted to demonstrate the effectiveness of the proposed assessment.
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Machine Learning · Cross-listed from cs.AI

Trustworthy AI in Digital Health: A Comprehensive Review of Robustness and Explainability

Ensuring trust in AI systems is essential for the safe and ethical integration of machine learning systems into high-stakes domains such as digital health. Key dimensions, including robustness, explainability, fairness, accountability, and privacy, need to be addressed throughout the AI lifecycle, from problem formulation and data collection to model deployment and human interaction. While various contributions address different aspects of trustworthy AI, a focused synthesis on robustness and explainability, especially tailored to the healthcare context, remains limited. This review addresses that need by organizing recent advancements into an accessible framework, highlighting both technical and practical considerations. We present a structured overview of methods, challenges, and solutions, aiming to support researchers and practitioners in developing reliable and explainable AI solutions for digital health. This review article is organized into three main parts. First, we introduce the pillars of trustworthy AI and discuss the technical and ethical challenges, particularly in the context of digital health. Second, we explore application-specific trust considerations across domains such as intensive care, neonatal health, and metabolic health, highlighting how robustness and explainability support trust. Lastly, we present recent advancements in techniques aimed at improving robustness under data scarcity and distributional shifts, as well as explainable AI methods ranging from feature attribution to gradient-based interpretations and counterfactual explanations. This paper is further enriched with detailed discussions of the contributions toward robustness and explainability in digital health, the development of trustworthy AI systems in the era of LLMs, and various evaluation metrics for measuring trust and related parameters such as validity, fidelity, and diversity.
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Machine Learning · Cross-listed from cs.CL

Domain-Specific Evaluation of Text-to-Speech Systems: A Multi-Metric Benchmarking Study

Recent advances in neural text-to-speech (TTS) systems have substantially improved speech naturalness and intelligibility across many languages. However, comprehensive evaluation methodologies that jointly assess perceptual quality, speaker similarity, and acoustic fidelity across diverse speech domains remain limited, particularly for low-resource and underrepresented languages. This paper presents a reproducible, multi-metric benchmarking framework for systematic evaluation of modern TTS systems through domain-specific analysis. The proposed framework integrates complementary subjective and objective evaluation protocols and is demonstrated through a comprehensive case study on a representative low-resource language spanning four speech domains: Formal, Conversational, Literary/Storytelling, and Emotional. Four state-of-the-art TTS systems – Indic-Parler-TTS, MMS-TTS, Microsoft Edge TTS, and Google Gemini TTS – are evaluated using MUSHRA listening tests, ABX discrimination tests, speaker similarity scoring with Resemblyzer, and acoustic analyses based on mel-cepstral distortion (MCD) and F0 RMSE over 960 audio pairs. Results reveal substantial variation in TTS performance across speech domains, with emotional speech consistently presenting the greatest synthesis challenge (mean MCD 12.03 dB; mean F0 RMSE 889 cents), while conversational speech achieves the highest overall acoustic fidelity. Beyond the empirical findings, this work provides a reproducible evaluation framework, publicly releasing evaluation scripts, result tables, and executable Colab notebooks to support standardized benchmarking and future research on TTS evaluation for low-resource languages.
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All authors Ali Jafar, Amal Sarmad, Shifa Yousaf, Maryam Bashir

Machine Learning

Constrained Co-Design for Photonic Bayesian Neural Networks

Classical neural networks frequently produce overconfident predictions on ambiguous or out-of-distribution (OOD) data, a liability that grows with each AI system deployed in safety-critical real-world scenarios. Bayesian neural networks (BNNs) provide a principled framework for uncertainty-aware prediction by replacing deterministic parameters with probability distributions, but repeated sampling increases latency, memory traffic, and energy consumption. Photonic probabilistic computing offers a promising alternative by exploiting intrinsic optical stochasticity for fast and parallel sampling. However, photonic BNNs are not ideal samplers: analog constraints on quantization, programming error, dynamic range, and representable mean and variance restrict the variational families that can be implemented in hardware. In this work, we study which hardware-imposed constraints limit scalable photonic BNN inference, how these constraints can be represented, and which ranges can be tolerated by photonic BNNs beyond small proof-of-concept networks. We formulate photonic BNN inference as constrained stochastic variational inference and perform a systematic ablation study over stochasticity location, stochasticity modality, quantization, programming error, and mean/variance bounds. From these results, we derive concrete co-design guidelines that distinguish hardware constraints that can be compensated by training from those requiring hardware or architecture intervention. We validate these guidelines under coupled, hardware-realistic constraints on Dirty-MNIST, CIFAR-10, and CINIC-10, using Fashion-MNIST and SVHN as OOD benchmarks, showing that hardware-aware training recovers predictive performance and uncertainty quality whenever the required variational family remains representable, whereas violations of representational limits require targeted hardware modifications.
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All authors Hendrik Borras, Xiao Wang, Bernhard Klein, Robin Janssen, Frank Brückerhoff-Plückelmann, Wolfram Pernice, Holger Fröning

Machine Learning

CRIP: Channel Level Representation Injection for Personalized One-Shot Federated Learning

One-shot federated learning (OSFL) has emerged as a promising collaborative model learning framework with only a single round of communication, offering significant advantages in communication efficiency and privacy preservation. However, OSFL often faces inherent limitations under severe domain heterogeneity across clients due to the lack of iterative knowledge exchange. Most existing OSFL methods require an auxiliary public dataset for knowledge distillation or leverage statistical information for parameter-level aggregation, overlooking feature shift caused by domain heterogeneity. To address these challenges, we propose CRIP, a personalized OSFL framework that operates in the representation space via channel-level feature alignment. To achieve this, each client uploads its feature extractor to the server, which broadcasts all extractors back to every client. Since not all source clients share compatible feature distributions with the target client, indiscriminate fusion of cross-client features would introduce domain-specific noise. Therefore, CRIP effectively measures the channel-wise representational similarity between the target client and each source client on a small local mini-batch, and selectively fuses only the most compatible features. Extensive experiments on domain-heterogeneous benchmarks such as DomainNet, PACS, and Office-Home demonstrate that CRIP consistently outperforms local models and state-of-the-art baselines, validating the effectiveness of representation-space personalization under extreme domain heterogeneity.
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All authors Zijian Jiang, Chaoli Sun, Handing Wang, Xilu Wang

Machine Learning · Cross-listed from cs.DB

Fast Discovery of Inclusion Dependencies with Desbordante

Inclusion dependency is a relation between attributes of tables that indicates possible Primary Key-Foreign Key references. Automatic discovery of inclusion dependencies is a relevant problem for both academic and industrial communities. The core concern for this problem is the efficiency of discovery process, since it is a computationally expensive task. However, existing studies only address the algorithmic side, while leaving out the implementation aspect. At the same time, engineering details are at least as important as the algorithmic ones for achieving good performance. In this paper, we describe techniques for efficient implementation of two algorithms for discovery of inclusion dependencies - Spider and Faida. The first one is a classic algorithm whose ideas lie in the foundation of many other inclusion dependency discovery algorithms. We propose an efficient parallelization technique, which greatly speeds up the algorithm while simultaneously reducing its memory consumption. The second one is the state-of-the-art approximate algorithm, which we approach by applying four types of optimizations: data buffering, SIMD-enabled execution, careful hash-table selection and parallelization. In order to experimentally evaluate our techniques, we have implemented these algorithms in Desbordante - an open-source science-intensive data profiler written in C++. For Spider, we have evaluated several different options, and in case of Faida we have demonstrated that all our optimization techniques yield results. We also compared our implementations with Metanome - a Java-based data profiler. Overall, we report up to 5x improvement in terms of run time reduction for Spider and up to 8x for Faida.
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All authors Alexander Smirnov, Anton Chizhov, Ilya Shchuckin, Nikita Bobrov, George Chernishev

Machine Learning

Start Classifying: Categorical Critics for LLM Reinforcement Learning

Proximal Policy Optimization (PPO) for large language models typically trains its critic by mean-squared-error (MSE) regression on scalar value targets. Although scalar MSE is statistically valid for estimating the conditional expected return, sparse binary rewards in reinforcement learning with verifiable rewards (RLVR) make critic optimization and calibration especially consequential: small value errors directly distort the scalar advantages used by PPO. We study whether a classification-based training objective can improve this critic signal. HL-Gauss PPO replaces the scalar MSE head with a categorical predictor over a discretized value support, trained by cross-entropy against smoothed HL-Gauss targets. Its output is decoded to a scalar expectation for standard GAE and PPO; the actor update is therefore unchanged and is not distributional. Across mathematical reasoning, tool-augmented math, and Search-R1, and on both Qwen2.5 and Qwen3 backbones, HL-Gauss PPO consistently improves over strong PPO and DAPO baselines. Controls with one-hot, two-hot, and Bernoulli two-bin critics show that neither a larger output head nor binary classification alone explains the gains. On a common collection of reasoning prefixes, HL-Gauss improves Brier score and calibration error and yields more symmetric, lower-variance advantages. These results position categorical value learning as an effective optimization surrogate for PPO critics in RLVR.
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All authors Zhijian Zhou, Long Li, Xuan Zhang, Zongkai Liu, Yulei Qin, Ke Li, Xing Sun, Xiaoyu Tan, Chao Qu, Yuan Qi

Machine Learning · Cross-listed from cs.DS

Randomized Algorithms for Learning Partitions with Near Optimal Query Complexity in Constant Rounds

We study the round complexity of learning a hidden partition $\mathcal{P}$ of an $n$-element universe using PAIR queries: PAIR($x,y$) tells us whether $x$ and $y$ belong to the same part of the partition or not. While it is easy to learn using $n|\mathcal{P}|$ queries using a basic algorithm and this query complexity is optimal, this basic algorithm is highly sequential. Black, Mazumdar, and Saha [COLT 2025] recently gave tight deterministic round/query tradeoffs when the number of parts of $\mathcal{P}$ is known. In particular they prove $\Theta(\log\log n)$ rounds are sufficient and necessary to limit the number of queries to $n|\mathcal{P}|$. They leave proving a randomized lower bound as an open direction. We show that randomization dramatically changes the picture. When the number of parts $k = |\mathcal{P}|$ is known, we give a simple 3-round randomized algorithm using $O(nk\log n)$ queries with high probability, and prove that 2 rounds require $\Omega(n^{4/3}k^{2/3})$ queries – the same as deterministic algorithms. We also study a more general setting where the number of parts is unknown. In this case, we give a 4-round randomized algorithm using $O(n|\mathcal P|\log^2 n)$ queries with high probability, and prove that 3-rounds cannot achieve near-optimal query complexity. Furthermore, we show an even bigger separation in this regime between randomized and deterministic algorithms: for the latter, $\Theta(\log n/\log\log n)$ rounds are necessary and sufficient to obtain near-optimal query complexity.
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Machine Learning · Cross-listed from cs.IT

CARNet: Channel-Adaptive Receiver Network for Robust NextG Communications

Neural receivers have been recognized as a promising paradigm for the next-generation (NextG) communications. However, due to the reliance on a static network optimized for specific channel conditions, their generalization capability across diverse scenarios remains a significant challenge. To address this issue, this paper proposes a novel channel-adaptive neural receiver network (CARNet) based on the mixture-of-experts (MoE) framework. The proposed architecture employs multiple expert networks together with an efficient routing mechanism to enable signal detection in various scenarios. The experts are constructed via stacked ResNet blocks and specialize in robust signal detection within specific channel conditions, while the routing mechanism incorporates a lightweight representation learning module, which projects the coarse channel estimate into a low-dimensional latent embedding. The learned embedding characterizes task-relevant channel conditions and provides efficient guidance for accurate expert selection. Link-level simulation experiments demonstrate that the proposed CARNet achieves superior performance across diverse channel conditions.
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Machine Learning

Empowering Credit Risk Detection in Weixin Pay with Billion-Scale Deep Graph Learning

Credit risk detection, particularly mitigating individual fraud, is crucial for maintaining the stability of digital financial ecosystems. Accurately identifying credit fraud among billions of users is critical for minimizing financial losses and safeguarding the sustainability of inclusive financial services. Given that credit fraud risks are often concealed within heterogeneous user-risk graphs, Graph Neural Networks (GNNs) have emerged as an effective tool for risk mining by capturing complex dependencies. To address the scalability bottleneck of industrial GNNs, distributed training based on subgraphs is indispensable. However, existing strategies often compromise topological integrity for load balancing. This can be catastrophic for risk detection, as it indiscriminately severs the long-tail evidence chains essential for risk propagation. Overlapping subgraphs can restore severed risk contexts but inevitably introduce redundancy and noise, while overlooking the representation alignment across different local subgraphs. In this paper, we propose a risk-aware overlapping subgraph learning framework for large-scale credit risk detection. We first construct base partitions to ensure load balance. Then, we perform budget-constrained sampling that selects informative long-tail nodes, thereby preserving critical risk diffusion patterns while filtering out noise. To mitigate representation inconsistency, we design a cross-subgraph consistency alignment mechanism. By enforcing alignment constraints on the overlapping nodes, we harmonize the local representations into a globally consistent latent space. Extensive experiments on Weixin Pay's production dataset demonstrate that our model significantly outperforms existing strategies for risk detection, offering a scalable and effective solution for industrial graph learning.
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All authors Xin Liu, Xiyuan Chen, Chenglong Wu, Xuan Zong, Jun Zhou, Dawei Cheng

Machine Learning

RamanPFN: learning from Raman spectral structure with a tabular foundation model

Raman spectroscopy enables label-free molecular characterization across materials science, analytical chemistry, biomedicine, and industrial process monitoring. However, machine learning for high-dimensional spectroscopy remains constrained by limited labelled data and a mismatch between the physical organization of spectra and feature-agnostic models. Channel coverage alone does not ensure that related bands share a common inference context. Here we present RamanPFN, a general-purpose spectral foundation framework that enables unified in-context inference through physics-guided spectral learning. It captures full-spectrum compositional covariation via Global Compositional Unmixing (GCU), which decomposes distributed, multi-band mixture signatures into shared non-negative latent bases. Simultaneously, it resolves local vibrational structure through Local Vibrational Subspace Encoding (LVSE), which preserves fine-grained peak morphology, intensity fluctuations, and peak shifts within contiguous spectral neighborhoods. Extensive evaluation across 74 diverse public Raman datasets covered 129 regression targets and was further extended to 21 classification tasks. RamanPFN achieved state-of-the-art performance across all reported aggregate metrics against 28 independently reproduced methods spanning chemometrics, spectral neural networks, deep tabular learners and tabular foundation models. RamanPFN establishes a physics-guided paradigm for scientific spectroscopy, enabling data-efficient predictive learning across diverse chemical systems.
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All authors Xingyu Pan, Huan Wang, Jinjia Guo, Zhenlin Zhao, Siming Dong, Jixi Lu

Machine Learning · Cross-listed from cs.CL

Self-Improving Large Language Models via Progressive Experience Evolution

Large language models (LLMs) capable of self-improvement require not only effective policy optimization, but also a principled mechanism for transforming transient interaction experience into persistent model capabilities. Existing self-improvement paradigms remain fragmented: test-time methods can explicitly extract experience but cannot internalize it into model parameters, whereas training-time optimization methods can update model parameters but lack an explicit mechanism for accumulating transferable experience. Bridging these two paradigms requires a critical intermediate stage that remains underexplored, namely experience distillation. To address this gap, we propose SPEE (Self-Progressive Experience Evolution), a unified post-training framework that sequentially performs explicit experience evolution followed by implicit policy optimization. During explicit experience evolution, SPEE reflects on trajectories collected from multiple interactions to extract, verify, and progressively evolve transferable experience, which is subsequently internalized into the policy through privilege-guided On-Policy Self-Distillation (OPSD). During implicit policy optimization, reward-driven reinforcement learning leverages these internalized priors to explore novel solution strategies. In the experience evolution stage, a continuously evolving global experience pool consolidates knowledge from both successful and failed trajectories, filters out low-utility experience, and mitigates post-hoc rationalization induced by individual trajectories. Experiments on five mathematical reasoning benchmarks demonstrate that SPEE consistently outperforms both test-time and training-time self-evolution baselines across three model scales. The source code is available at https://github.com/rrrsj/SPEE.
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All authors Shijie Ren, Xiting Wang, Meng Li, Yujie Guo, Yunhang Yao, Ziheng Peng, Xunlong Wang, Yuetan Chen, Haoyang Zhou, Yunlong Liang, Fandong Meng

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

Cardiovascular Digital Twins from Physics Based to Data Driven Approaches

Cardiovascular digital twins aim to create patient-specific computational models that evolve with clinical data to support diagnosis, prognosis, and therapy optimisation. Mechanistic models provide physiological interpretability but remain computationally demanding, whereas data-driven approaches improve scalability yet risk limited robustness. Emerging physics-informed, graph-based, and hybrid methods integrate physical constraints with relational learning across vascular networks. We review modelling paradigms, data assimilation frameworks, validation challenges, and translational pathways toward clinically deployable cardiovascular digital twins.
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Machine Learning

CoRe-GNN: Multilevel Message passing on Coarsened graphs

Training Graph Neural Networks on large graphs is challenged by the memory cost of storing all node representations across layers. We show that several existing scalable approaches can be written as structured modifications of the GNN propagation matrix, providing a unified perspective that exposes their respective limitations. In particular, graph coarsening replaces it by a low-rank approximation that enables spectral guarantees but assigns uniform representations to clustered nodes, while Cluster-GCN restricts the propagation matrix to intra-cluster connections that allow efficient batching but sever long-range information. These are complementary failures of the same decomposition of the graph into groups of nodes. To obtain the best of both worlds, we propose CoRe-GNN, which performs both propagations in parallel at each layer: a coarsened inter-cluster term capturing long-range structure, and a local intra-cluster term preserving per-node discriminability. We prove that CoRe-GNN inherits analogous approximation guarantees to those of graph coarsening, and introduce a natural cluster-based batching scheme that scales to graphs with millions of nodes. On node classification benchmarks spanning homophilic, heterophilic, large-scale, and long-range graphs, CoRe-GNN outperforms both graph coarsening and Cluster-GCN baselines. Notably, CoRe-GNN reaches competitive accuracy on long-range tasks, while remaining memory-efficient through batching.
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Machine Learning

Do Static Embeddings Add Value to Hybrid Dutch Retrieval?

Embedding benchmarks measure standalone model quality, but they do not establish whether a low-cost retriever contributes complementary ranking information once lexical and transformer-based retrieval are already combined. We present a controlled evaluation of this question across Dutch retrieval tasks from the Massive Text Embedding Benchmark for Dutch (MTEB-NL). Weighted reciprocal rank fusion (RRF) combines Best Matching 25 (BM25), Qwen/Qwen3-Embedding-0.6B (Qwen), and two multilingual static embedding models. Five datasets comprising 14,500 queries and 786,573 documents are scored exhaustively, and fusion weights are searched on a simplex in increments of 0.1. Ten-fold query-level cross-validation selects weights on nine folds and evaluates them on the held-out fold; paired bootstrap confidence intervals and sign-randomisation tests quantify the resulting differences. Fusion improves over the training-selected individual retriever by 0.061 mean reciprocal rank (MRR) on Dutch News, 0.029 on VABB, 0.004 on WebFAQ NL, and 0.025 on Wikipedia NL, while matching BM25 on Open Tender. All four positive differences remain distinguishable from zero after Holm correction. No unrestricted fold assigns positive weight to either static retriever: all 50 selections lie on the BM25-Qwen edge, and forcing a static contribution reduces effectiveness. Leave-one-dataset-out selection chooses equal BM25-Qwen weighting in every iteration and outperforms the cross-domain-selected individual retriever on every held-out task. The results support a two-retriever lexical-transformer architecture as a robust tested default across the evaluated Dutch tasks and show that standalone benchmark performance is insufficient to establish marginal value in hybrid retrieval.
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Machine Learning · Cross-listed from cs.HC

From Information to Delegation: Mapping Human-AI Financial Decision Making

As AI increasingly participates in human decision making, understanding how decision-making authority is distributed between humans and AI has become a fundamental behavioural question. We introduce a behavioural measurement framework combining intent and delegated decision authority to quantify what consumers seek from AI and how much decision-making authority they assign to it. Applied to 1.5 million real-world ChatGPT and Gemini interactions from 6,304 users in the United States and India, we find that financial services are already a substantial AI use case. Consumers overwhelmingly use AI to retrieve information and shape financial judgement, while delegation of financial execution remains rare. By shifting attention from conversation topics to delegated decision authority, this work establishes a behavioural baseline for measuring the transition to increasingly agentic AI.
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All authors Iman Munire Bilal, Yingcan Carol Wang, Ajan Raj, Filippo Giovagnini, Pranav Tewari, Yuwei Zhang, Mei-Chen Zoe Liou, Qamar Zaman

Machine Learning

One QK Channel, Many Sources: Tracing Low-Precision Attention Collapse

A bfloat16 transformer can train normally, then collapse abruptly. Prior work links collapse to structured attention errors and shows QK normalization disrupts their compounding. Distinct low-precision errors trigger the same collapse, leaving unclear whether each needs a fix at its source or one shared route can be blocked instead. We isolated the fault behind a reproduced GPT-2-class collapse to the streaming-softmax accumulator, where an fp32 streaming core repairs it, and turned it into an assay for moving a controlled error across sources. Using it, we found that errors placed outside attention still drove the same QK spectral runaway, and that correcting only QK kept training stable while the fault stayed active. This is a source-channel dissociation: fault source is not failure channel. It held across tested architectures and scales, and reproduced on a second GPU architecture. As a causal probe, projecting each update off the current QK weights' leading three singular directions held the query projection's largest singular value to 11.1, whereas removing equal energy elsewhere left it at 237: the QK channel causally drives the early runaway. What lets the injected error in is temporal sign-coherence, its per-head sign persisting across steps, not aggregate deviation; once inside, the runaway shows as attention-logit saturation. QK-Guard, a dormant controller, tests this by switching on parameter-free QK normalization at the first monitored threshold crossing. On the runs designated for this test, the QK-local action prevented the failure of each matched or same-configuration unguarded run; on plain GPT-2, all 12 final train and validation losses were within 0.03 nat of same-configuration always-on QK-norm, and both methods ran 60k steps without collapse. Intervention at the QK locus therefore suffices in place of a fix at each source.
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All authors Shuxiao Xie, Shuyang Xie, Yuan Cao, Dezhi Ran, Wei Yang, Tao Xie

Machine Learning

How Much Does a Reasoning Summary Reveal? An Observability Ladder for Large Language Models

Large language models often show users a final response and a short reasoning summary while the full reasoning trace stays hidden. We introduce an observability ladder that holds each completed run fixed and varies only what a reader inspects to judge whether the answer is correct: the response, a self-summary the model writes from the trace, the trace itself, and internal signals, each with and without the prompt. Across three benchmarks and five open-weight Qwen3 and gpt-oss models, we train matched linear correctness predictors on each access level. Without the prompt, summaries carry most of the trace's ranking signal (mean AUROC 0.774 versus 0.813) and add +0.156 over the response alone. With the prompt visible, the summary's gain collapses to +0.019, while the trace still adds +0.041. Even at equal length, the trace's last words predict correctness as well as summaries, or slightly better, and carry denser and more discriminative uncertainty and self-correction cues. On MMLU-Pro questions with both correct and incorrect runs, linear summary readers are near chance and trace readers retain only modest signal, both with and without the prompt (prompt-withheld AUROC 0.503-0.545 versus 0.544-0.590). With the prompt withheld, a GPT-5-mini reader recovers substantially more signal from both summaries and traces on gpt-oss-20b, and even then the trace keeps a small +0.034 advantage. Much of the linear readers' trace signal is associated with length. In the common case where users already hold the prompt, summaries are less helpful than the full trace for monitoring correctness. Monitorability is thus a joint property of the display and the reader, so any monitorability claim, including for faithfulness, should specify both.
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All authors Andres Algaba, Francesca Carlon, Lynn Delcon, Marthe Ballon, Bert Verbruggen, Vincent Ginis

Machine Learning

An AI-Based Decision-Support Pipeline for Day-Ahead Photovoltaic Forecasting

Reliable photovoltaic (PV) forecasts can support low-carbon energy systems, but deployed sites may have only short and incomplete records. Physical and hybrid methods can be sensitive to weather inputs, calibration, and timestamp-alignment, while individual machine learning models may capture different parts of the forecasting problem. We study hourly day-ahead PV forecasting at a United Kingdom charging station using one year of inverter measurements, with 9.25% of hours missing. The pipeline checks timestamp-alignment, derives solar and clearness features, adds short-term weather context, and combines five complementary models using non-negative least squares stacking, with the combination fitted only on validation observations. We compare against smart persistence, a weather-scaled baseline that carries the previous day's PV behaviour forward using target-day irradiance. With retrospective weather, the combined model reduces daylight normalised root mean square error (RMSE) by 31.2% under random day-fold evaluation and by 2.9% under rolling-origin evaluation, although the latter improvement is not robust across days. It also improves by 3.0% over the single model selected from validation performance. Replacing retrospective weather with a public product sampled at a constant 24-hour lead increases daylight RMSE by 13.1% and 4.2% under the two protocols, while retaining positive skill over smart persistence.
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All authors Fariba Dehghan, Sebastian Stein, Vahid Yazdanpanah, Stephanie Gauthier, Masood Nazari

Machine Learning · Cross-listed from cs.AI

Instruction-Conditioned Exploration for Reinforcement Learning with Self-Distillation to an Unconditioned Policy

Post-training Large Language Models (LLMs) with Reinforcement Learning (RL) has become an important tool for improving model capabilities, but the LLM action-space structure introduces challenges distinct from classical RL, with implications for inducing exploration. New methods are required that leverage the broad knowledge and flexibility of pre-trained LLMs to deliberately generate diverse experience at training time. We propose Instruction-Conditioned Exploration (ICE), which appends one of a small fixed set of instructions to task prompts during training, using the same set for every problem, increasing the coverage of behaviours attempted. To facilitate ICE, we combine RL on the instruction-conditioned policy with self-distillation of its correct rollouts into the unconditioned test-time policy. ICE with this objective improves Qwen3-1.7B held-out pass@1 performance at 4K response length on mathematical reasoning tasks by $5.0\%$ relative to training with DAPO, with improvement persisting at a longer 8K context. The improvement does not appear for Qwen3-4B at 4K, where the instructions do not expand base-model coverage.
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Machine Learning · Cross-listed from cs.SE

Pretraining on Call Graphs: When Binary Analysis Tasks Profit From Context

Binary function embedding models are trained to encode the semantics of binary code in such a way that they can be generalized to a variety of reverse engineering tasks, such as binary code search, vulnerability detection, or malware classification. While many models only take the function in question as contextual input, there have been successful attempts to improve function embeddings by leveraging information from the call graph. In this study, we dissect the implications of these embedding refinements. We conduct experiments using a range of graph-based models on the embeddings generated by two state-of-the-art binary function embedding models. Integrating inter-procedural context, we show that improvements on binary code similarity detection (BCSD) will not necessarily generalize to downstream tasks, neither of semantic nor of syntactic nature. More generally, we find that optimizing for semantic similarity tasks correlates with worse performance on syntactic tasks. By conducting an explanatory analysis on the dataset, we find that the call graph-based enhancements significantly enhance the robustness of embeddings, particularly in scenarios where the initial models struggle. Furthermore, we observe that the added context is more beneficial for namespace-related functions than for those focused on individual logic, confirming that the call graph can be leveraged most effectively in context-dependent scenarios.
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Machine Learning

A 2-Block Architecture for Real-Time EEG Gait Decoding: A Pilot Study

Closed-loop lower-limb exoskeleton control via Electroencephalography (EEG) remains limited by motion artifacts, low signal-to-noise ratio, and binary gait formulations that fail to capture full cortical gait complexity. We propose a 2-block Brain-Computer Interface (BCI) architecture: a trainable session-specific Feature Extraction Block with real-time artifact suppression and multi-domain feature extraction, coupled with a Decoder Block built on a novel Polynomial Time-Varying Layer (PolyTVL)+LSTM for four-state gait classification (Stand, Initiate, Execute, Terminate). Ablation confirmed v01 (PolyTVL+LSTM) outperformed all variants (validation MCC: 0.435, gap: 0.187), with consistent EEG feature discriminability across ROIs and sub-bands (p<0.05). Closed-loop deployment with v01 achieved 55.3% (Rex-assisted) and 52.7% (volitional) gait initiation success, with a mean end-to-end processing time of 70.5~ms (+/-41.5), validating real-time feasibility in this pilot study.
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