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Wednesday 15 April

Machine Learning

(How) Learning Rates Regulate Catastrophic Overtraining

Supervised fine-tuning (SFT) is a common first stage of LLM post-training, teaching the model to follow instructions and shaping its behavior as a helpful assistant. At the same time, SFT may harm the fundamental capabilities of an LLM, particularly after long pretraining: a phenomenon known as catastrophic overtraining (Springer et al., 2025). To understand overtraining, we first investigate catastrophic forgetting in finetuning through the lens of implicit regularization of the learning rate. For models trained to the same SFT loss, we identify how the learning rate mediates optimization: finetuning with large and small steps converges to qualitatively different models. Next, we link forgetting to overtraining: learning rate decay increases the sharpness of the pretrained model, which in turn exacerbates catastrophic forgetting during SFT, leading to overtraining. Our findings paint a picture of the overtraining mechanism in LLMs and broadly contribute to the understanding of the interplay between optimization dynamics during pretraining and finetuning.
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Machine Learning

Self-Organizing Maps with Optimized Latent Positions

Self-Organizing Maps (SOM) are a classical method for unsupervised learning, vector quantization, and topographic mapping of high-dimensional data. However, existing SOM formulations often involve a trade-off between computational efficiency and a clearly defined optimization objective. Objective-based variants such as Soft Topographic Vector Quantization (STVQ) provide a principled formulation, but their neighborhood-coupled computations become expensive as the number of latent nodes increases. In this paper, we propose Self-Organizing Maps with Optimized Latent Positions (SOM-OLP), an objective-based topographic mapping method that introduces a continuous latent position for each data point. Starting from the neighborhood distortion of STVQ, we construct a separable surrogate local cost based on its local quadratic structure and formulate an entropy-regularized objective based on it. This yields a simple block coordinate descent scheme with closed-form updates for assignment probabilities, latent positions, and reference vectors, while guaranteeing monotonic non-increase of the objective and retaining linear per-iteration complexity in the numbers of data points and latent nodes. Experiments on a synthetic saddle manifold, scalability studies on the Digits and MNIST datasets, and 16 benchmark datasets show that SOM-OLP achieves competitive neighborhood preservation and quantization performance, favorable scalability for large numbers of latent nodes and large datasets, and the best average rank among the compared methods on the benchmark datasets.
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Machine Learning · Cross-listed from cs.CL

C2: Scalable Rubric-Augmented Reward Modeling from Binary Preferences

Rubric-augmented verification guides reward models with explicit evaluation criteria, yielding more reliable judgments than single-model verification. However, most existing methods require costly rubric annotations, limiting scalability. Moreover, we find that rubric generation is vulnerable to a failure of cooperation; low-quality rubrics actively mislead reward models rather than help. Inspired by the principle of cooperative communication, we propose Cooperative yet Critical reward modeling (C2), a framework that significantly improves reward model judgments by having the reward model critically collaborate with a rubric generator trained solely from binary preferences. In C2, we synthesize helpful and misleading rubric pairs by measuring how each rubric shifts the reward model toward or away from the correct preference. Using these contrastive pairs, we train a cooperative rubric generator to propose helpful rubrics, and a critical verifier to assess rubric validity before making its judgment, following only rubrics it deems helpful at inference time. C2 outperforms reasoning reward models trained on the same binary preferences, with gains of up to 6.5 points on RM-Bench and 6.0 points length-controlled win rate on AlpacaEval 2.0. Without external rubric annotations, C2 enables an 8B reward model to match performance achieved with rubrics from a 4$\times$ larger model. Overall, our work demonstrates that eliciting deliberate cooperation in rubric-augmented verification makes reward models more trustworthy in a scalable way.
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Machine Learning

Golden Handcuffs make safer AI agents

Reinforcement learners can attain high reward through novel unintended strategies. We study a Bayesian mitigation for general environments: we expand the agent's subjective reward range to include a large negative value $-L$, while the true environment's rewards lie in $[0,1]$. After observing consistently high rewards, the Bayesian policy becomes risk-averse to novel schemes that plausibly lead to $-L$. We design a simple override mechanism that yields control to a safe mentor whenever the predicted value drops below a fixed threshold. We prove two properties of the resulting agent: (i) Capability: using mentor-guided exploration with vanishing frequency, the agent attains sublinear regret against its best mentor. (ii) Safety: no decidable low-complexity predicate is triggered by the optimizing policy before it is triggered by a mentor.
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Machine Learning

Design Space Exploration of Hybrid Quantum Neural Networks for Chronic Kidney Disease

Hybrid Quantum Neural Networks (HQNNs) have recently emerged as a promising paradigm for near-term quantum machine learning. However, their practical performance strongly depends on design choices such as classical-to-quantum data encoding, quantum circuit architecture, measurement strategy and shots. In this paper, we present a comprehensive design space exploration of HQNNs for Chronic Kidney Disease (CKD) diagnosis. Using a carefully curated and preprocessed clinical dataset, we benchmark 625 different HQNN models obtained by combining five encoding schemes, five entanglement architectures, five measurement strategies, and five different shot settings. To ensure fair and robust evaluation, all models are trained using 10-fold stratified cross-validation and assessed on a test set using a comprehensive set of metrics, including accuracy, area under the curve (AUC), F1-score, and a composite performance score. Our results reveal strong and non-trivial interactions between encoding choices and circuit architectures, showing that high performance does not necessarily require large parameter counts or complex circuits. In particular, we find that compact architectures combined with appropriate encodings (e.g., IQP with Ring entanglement) can achieve the best trade-off between accuracy, robustness, and efficiency. Beyond absolute performance analysis, we also provide actionable insights into how different design dimensions influence learning behavior in HQNNs.
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All authors Muhammad Kashif, Hanzalah Mohamed Siraj, Nouhaila Innan, Alberto Marchisio, Muhammad Shafique

Machine Learning · Cross-listed from astro-ph.SR

Irregularly Sampled Time Series Interpolation for Binary Evolution Simulations Using Dynamic Time Warping

Binary stellar evolution simulations are computationally expensive. Stellar population synthesis relies on these detailed evolution models at a fundamental level. Producing thousands of such models requires hundreds of CPU hours, but stellar track interpolation provides one approach to significantly reduce this computational cost. Although single-star track interpolation is straightforward, stellar interactions in binary systems introduce significant complexity to binary evolution, making traditional single-track interpolation methods inapplicable. Binary tracks present fundamentally different challenges compared to single stars, which possess relatively straightforward evolutionary phases identifiable through distinct physical properties. Binary systems are complicated by mutual interactions that can dramatically alter evolutionary trajectories and introduce discontinuities difficult to capture through standard interpolation. In this work, we introduce a novel approach for track alignment and iterative track averaging based on Dynamic Time Warping to address misalignments between neighboring tracks. Our method computes a single shared warping path across all physical parameters simultaneously, placing them on a consistent temporal grid that preserves the causal relationships between parameters. We demonstrate that this joint-alignment strategy maintains key physical relationships such as the Stefan-Boltzmann law in the interpolated tracks. Our comprehensive evaluation across multiple binary configurations demonstrates that proper temporal alignment is crucial for track interpolation methods. The proposed method consistently outperforms existing approaches and enables the efficient generation of more accurate binary population samples for astrophysical studies.
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All authors Ugur Demir, Philipp M. Srivastava, Aggelos Katsaggelos, Vicky Kalogera, Santiago L. Tapia, Manuel Ballester, Shamal Lalvani, Patrick Koller, Jeff J. Andrews, Seth Gossage, Max M. Briel, Elizabeth Teng

Machine Learning

Reward Hacking in the Era of Large Models: Mechanisms, Emergent Misalignment, Challenges

Reinforcement Learning from Human Feedback (RLHF) and related alignment paradigms have become central to steering large language models (LLMs) and multimodal large language models (MLLMs) toward human-preferred behaviors. However, these approaches introduce a systemic vulnerability: reward hacking, where models exploit imperfections in learned reward signals to maximize proxy objectives without fulfilling true task intent. As models scale and optimization intensifies, such exploitation manifests as verbosity bias, sycophancy, hallucinated justification, benchmark overfitting, and, in multimodal settings, perception–reasoning decoupling and evaluator manipulation. Recent evidence further suggests that seemingly benign shortcut behaviors can generalize into broader forms of misalignment, including deception and strategic gaming of oversight mechanisms. In this survey, we propose the Proxy Compression Hypothesis (PCH) as a unifying framework for understanding reward hacking. We formalize reward hacking as an emergent consequence of optimizing expressive policies against compressed reward representations of high-dimensional human objectives. Under this view, reward hacking arises from the interaction of objective compression, optimization amplification, and evaluator–policy co-adaptation. This perspective unifies empirical phenomena across RLHF, RLAIF, and RLVR regimes, and explains how local shortcut learning can generalize into broader forms of misalignment, including deception and strategic manipulation of oversight mechanisms. We further organize detection and mitigation strategies according to how they intervene on compression, amplification, or co-adaptation dynamics. By framing reward hacking as a structural instability of proxy-based alignment under scale, we highlight open challenges in scalable oversight, multimodal grounding, and agentic autonomy.
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All authors Xiaohua Wang, Muzhao Tian, Yuqi Zeng, Zisu Huang, Jiakang Yuan, Bowen Chen, Jingwen Xu, Mingbo Zhou, Wenhao Liu, Muling Wu, Zhengkang Guo, Qi Qian, Yifei Wang, Feiran Zhang, Ruicheng Yin, Shihan Dou, Changze Lv, Tao Chen, Kaitao Song, Xu Tan, Tao Gui, Xiaoqing Zheng, Xuanjing Huang

Machine Learning

Enhancing Reinforcement Learning for Radiology Report Generation with Evidence-aware Rewards and Self-correcting Preference Learning

Recent reinforcement learning (RL) approaches have advanced radiology report generation (RRG), yet two core limitations persist: (1) report-level rewards offer limited evidence-grounded guidance for clinical faithfulness; and (2) current methods lack an explicit self-improving mechanism to align with clinical preference. We introduce clinically aligned Evidence-aware Self-Correcting Reinforcement Learning (ESC-RL), comprising two key components. First, a Group-wise Evidence-aware Alignment Reward (GEAR) delivers group-wise, evidence-aware feedback. GEAR reinforces consistent grounding for true positives, recovers missed findings for false negatives, and suppresses unsupported content for false positives. Second, a Self-correcting Preference Learning (SPL) strategy automatically constructs a reliable, disease-aware preference dataset from multiple noisy observations and leverages an LLM to synthesize refined reports without human supervision. ESC-RL promotes clinically faithful, disease-aligned reward and supports continual self-improvement during training. Extensive experiments on two public chest X-ray datasets demonstrate consistent gains and state-of-the-art performance.
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All authors Qin Zhou, Guoyan Liang, Qianyi Yang, Jingyuan Chen, Sai Wu, Chang Yao, Zhe Wang

Machine Learning · Cross-listed from physics.flu-dyn

Data-driven Learning of Probabilistic Model of Binary Droplet Collision for Spray Simulation

Binary droplet collisions are ubiquitous in dense sprays. Traditional deterministic models cannot adequately represent transitional and stochastic behaviors of binary droplet collision. To bridge this gap, we developed a probabilistic model by using a machine learning approach, the Light Gradient-Boosting Machine (LightGBM). The model was trained on a comprehensive dataset of 33,540 experimental cases covering eight collision regimes across broad ranges of Weber number, Ohnesorge number, impact parameter, size ratio, and ambient pressure. The resulting machine learning classifier captures highly nonlinear regime boundaries with 99.2% accuracy and retains sensitivity in transitional regions. To facilitate its implementation in spray simulation, the model was translated into a probabilistic form, a multinomial logistic regression, which preserves 93.2% accuracy and maps continuous inter-regime transitions. A biased-dice sampling mechanism then converts these probabilities into definite yet stochastic outcomes. This work presents the first probabilistic, high-dimensional droplet collision model derived from experimental data, offering a physically consistent, comprehensive, and user-friendly solution for spray simulation.
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Machine Learning

Parameter-efficient Quantum Multi-task Learning

Multi-task learning (MTL) improves generalization and data efficiency by jointly learning related tasks through shared representations. In the widely used hard-parameter-sharing setting, a shared backbone is combined with task-specific prediction heads. However, task-specific parameters can grow rapidly with the number of tasks. Therefore, designing multi-task heads that preserve task specialization while improving parameter efficiency remains a key challenge. In Quantum Machine Learning (QML), variational quantum circuits (VQCs) provide a compact mechanism for mapping classical data to quantum states residing in high-dimensional Hilbert spaces, enabling expressive representations within constrained parameter budgets. We propose a parameter-efficient quantum multi-task learning (QMTL) framework that replaces conventional task-specific linear heads with a fully quantum prediction head in a hybrid architecture. The model consists of a VQC with a shared, task-independent quantum encoding stage, followed by lightweight task-specific ansatz blocks enabling localized task adaptation while maintaining compact parameterization. Under a controlled and capacity-matched formulation where the shared representation dimension grows with the number of tasks, our parameter-scaling analysis demonstrates that a standard classical head exhibits quadratic growth, whereas the proposed quantum head parameter cost scales linearly. We evaluate QMTL on three multi-task benchmarks spanning natural language processing, medical imaging, and multimodal sarcasm detection, where we achieve performance comparable to, and in some cases exceeding, classical hard-parameter-sharing baselines while consistently outperforming existing hybrid quantum MTL models with substantially fewer head parameters. We further demonstrate QMTL's executability on noisy simulators and real quantum hardware, illustrating its feasibility.
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All authors Hevish Cowlessur, Chandra Thapa, Tansu Alpcan, Seyit Camtepe

Machine Learning

Learning Inference Concurrency in DynamicGate MLP Structural and Mathematical Justification

Conventional neural networks strictly separate learning and inference because if parameters are updated during inference, outputs become unstable and even the inference function itself is not well defined [1, 2, 3]. This paper shows that DynamicGate MLP structurally permits learning inference concurrency [4, 5]. The key idea is to separate routing (gating) parameters from representation (prediction) parameters, so that the gate can be adapted online while inference stability is preserved, or weights can be selectively updated only within the inactive subspace [4, 5, 6, 7]. We mathematically formalize sufficient conditions for concurrency and show that even under asynchronous or partial updates, the inference output at each time step can always be interpreted as a forward computation of a valid model snapshot [8, 9, 10]. This suggests that DynamicGate MLP can serve as a practical foundation for online adaptive and on device learning systems [11, 12].
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Machine Learning · Cross-listed from cs.AR

Cross-Layer Co-Optimized LSTM Accelerator for Real-Time Gait Analysis

Long Short-Term Memory (LSTM) neural networks have penetrated healthcare applications where real-time requirements and edge computing capabilities are essential. Gait analysis that detects abnormal steps to prevent patients from falling is a prominent problem for such applications. Given the extremely stringent design requirements in performance, power dissipation, and area, an Application-Specific Integrated Circuit (ASIC) enables an efficient real-time exploitation of LSTMs for gait analysis, achieving high accuracy. To the best of our knowledge, this work presents the first cross-layer co-optimized LSTM accelerator for real-time gait analysis, targeting an ASIC design. We conduct a comprehensive design space exploration from software down to layout design. We carry out a bit-width optimization at the software level with hardware-aware quantization to reduce the hardware complexity, explore various designs at the register-transfer level, and generate alternative layouts to find efficient realizations of the LSTM accelerator in terms of hardware complexity and accuracy. The physical synthesis results show that, using the 65 nm technology, the die size of the accelerator's layout optimized for the highest accuracy is 0.325 mm^2, while the alternative design optimized for hardware complexity with a slightly lower accuracy occupies 15.4% smaller area. Moreover, the designed accelerators achieve accurate gait abnormality detection 4.05x faster than the given application requirement.
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All authors Mohammad Hasan Ahmadilivani, Levent Aksoy, Mohammad Eslami, Jaan Raik, Alar Kuusik

Machine Learning · Cross-listed from cs.AI

RiskWebWorld: A Realistic Interactive Benchmark for GUI Agents in E-commerce Risk Management

Graphical User Interface (GUI) agents show strong capabilities for automating web tasks, but existing interactive benchmarks primarily target benign, predictable consumer environments. Their effectiveness in high-stakes, investigative domains such as authentic e-commerce risk management remains underexplored. To bridge this gap, we present RiskWebWorld, the first highly realistic interactive benchmark for evaluating GUI agents in e-commerce risk management. RiskWebWorld features 1,513 tasks sourced from production risk-control pipelines across 8 core domains, and captures the authentic challenges of risk operations on uncooperative websites, partially environmental hijackments. To support scalable evaluation and agentic reinforcement learning (RL), we further build a Gymnasium-compliant infrastructure that decouples policy planning from environment mechanics. Our evaluation across diverse models reveals a dramatic capability gap: top-tier generalist models achieve 49.1% success, while specialized open-weights GUI models lag at near-total failure. This highlights that foundation model scale currently matters more than zero-shot interface grounding in long-horizon professional tasks. We also demonstrate the viability of our infrastructure through agentic RL, which improves open-source models by 16.2%. These results position RiskWebWorld as a practical testbed for developing robust digital workers.
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All authors Renqi Chen, Zeyin Tao, Jianming Guo, Jing Wang, Zezhou Xu, Jingzhe Zhu, Qingqing Sun, Tianyi Zhang, Shuai Chen

Machine Learning · Cross-listed from stat.ML

Robust Low-Rank Tensor Completion based on M-product with Weighted Correlated Total Variation and Sparse Regularization

The robust low-rank tensor completion problem addresses the challenge of recovering corrupted high-dimensional tensor data with missing entries, outliers, and sparse noise commonly found in real-world applications. Existing methodologies have encountered fundamental limitations due to their reliance on uniform regularization schemes, particularly the tensor nuclear norm and $\ell_1$ norm regularization approaches, which indiscriminately apply equal shrinkage to all singular values and sparse components, thereby compromising the preservation of critical tensor structures. The proposed tensor weighted correlated total variation (TWCTV) regularizer addresses these shortcomings through an $M$-product framework that combines a weighted Schatten-$p$ norm on gradient tensors for low-rankness with smoothness enforcement and weighted sparse components for noise suppression. The proposed weighting scheme adaptively reduces the thresholding level to preserve both dominant singular values and sparse components, thus improving the reconstruction of critical structural elements and nuanced details in the recovered signal. Through a systematic algorithmic approach, we introduce an enhanced alternating direction method of multipliers (ADMM) that offers both computational efficiency and theoretical substantiation, with convergence properties comprehensively analyzed within the $M$-product framework.Comprehensive numerical evaluations across image completion, denoising, and background subtraction tasks validate the superior performance of this approach relative to established benchmark methods.
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Machine Learning

C-voting: Confidence-Based Test-Time Voting without Explicit Energy Functions

Neural network models with latent recurrent processing, where identical layers are recursively applied to the latent state, have gained attention as promising models for performing reasoning tasks. A strength of such models is that they enable test-time scaling, where the models can enhance their performance in the test phase without additional training. Models such as the Hierarchical Reasoning Model (HRM) and Artificial Kuramoto Oscillatory Neurons (AKOrN) can facilitate deeper reasoning by increasing the number of recurrent steps, thereby enabling the completion of challenging tasks, including Sudoku, Maze solving, and AGI benchmarks. In this work, we introduce confidence-based voting (C-voting), a test-time scaling strategy designed for recurrent models with multiple latent candidate trajectories. Initializing the latent state with multiple candidates using random variables, C-voting selects the one maximizing the average of top-1 probabilities of the predictions, reflecting the model's confidence. Additionally, it yields 4.9% higher accuracy on Sudoku-hard than the energy-based voting strategy, which is specific to models with explicit energy functions. An essential advantage of C-voting is its applicability: it can be applied to recurrent models without requiring an explicit energy function. Finally, we introduce a simple attention-based recurrent model with randomized initial values named ItrSA++, and demonstrate that when combined with C-voting, it outperforms HRM on Sudoku-extreme (95.2% vs. 55.0%) and Maze (78.6% vs. 74.5%) tasks.
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All authors Kenji Kubo, Shunsuke Kamiya, Masanori Koyama, Kohei Hayashi, Yusuke Iwasawa, Yutaka Matsuo

Machine Learning

LEGO-MOF: Equivariant Latent Manipulation for Editable, Generative, and Optimizable MOF Design

Metal-organic frameworks (MOFs) are highly promising for carbon capture, yet navigating their vast design space remains challenging. Recent deep generative models enable de novo MOF design but primarily act as feed-forward structure generators. By heavily relying on predefined building block libraries and non-differentiable post-optimization, they fundamentally sever the information flow required for continuous structural editing. Here, we propose a target-driven generative framework focused on continuous structural manipulation. At its core is LinkerVAE, which maps discrete 3D chemical graphs into a continuous, SE(3)-equivariant latent space. This smooth manifold unlocks geometry-aware manipulations, including implicit chemical style transfer and zero-shot isoreticular expansion. Building upon this, we introduce a test-time optimization (TTO) strategy, utilizing an accurate surrogate model to continuously optimize the latent graphs of existing MOFs toward desired properties. This approach systematically enhances carbon capture performance, achieving a striking average relative boost of 147.5% in pure CO2 uptake while strictly preserving structural validity. Integrated with a latent diffusion model and rigid-body assembly for full MOF construction, our framework establishes a scalable, fully differentiable pathway for both the automated discovery, targeted optimization and editing of functional materials.
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Machine Learning

From Alignment to Prediction: A Study of Self-Supervised Learning and Predictive Representation Learning

Self-supervised learning has emerged as a major technique for the task of learning from unlabeled data, where the current methods mostly revolve around alignment of representations and input recon struction. Although such approaches have demonstrated excellent performance in practice, their scope remains mostly confined to learning from observed data and does not provide much help in terms of a learning structure that is predictive of the data distribution. In this paper, we study some of the recent developments in the realm of self-supervised learning. We define a new category called Predictive Representation Learning (PRL), which revolves around the latent prediction of unobserved components of data based on the observation. We propose a common taxonomy that classifies PRL along with alignment and reconstruction-based learning approaches. Furthermore, we argue that Joint-Embedding Predictive Architecture(JEPA) can be considered as an exemplary member of this new paradigm. We further discuss theoretical perspectives and open challenges, highlighting predictive representation learning as a promising direction for future self-supervised learning research. In this study, we implemented Bootstrap Your Own Latent (BYOL), Masked Autoencoders (MAE), and Image-JEPA (I-JEPA) for comparative analysis. The results indicate that MAE achieves perfect similarity of 1.00, but exhibits relatively weak robustness of 0.55. In contrast, BYOL and I-JEPA attain accuracies of 0.98 and 0.95, with robustness scores of 0.75 and 0.78, respectively.
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Machine Learning

Representation over Routing: Diagnosing Temporal Routing Pathologies in Multi-Timescale PPO

Temporal credit assignment in reinforcement learning is often approached by introducing value estimates at multiple discount factors. A natural next step is to let the actor dynamically route among these temporal heads, using either differentiable attention or heuristic uncertainty weights. This paper argues that such routing can create a numerical shortcut rather than a reliable temporal abstraction. We study this issue in a controlled PPO setting on LunarLander-v2, using the environment as a visual sandbox for diagnosing failure modes. First, we formalize Surrogate Objective Hacking: a differentiable softmax router exposed to the PPO surrogate receives a direct gradient toward advantage heads that are numerically favorable for the current update, even when this routing change does not correspond to improved physical control. Because unnormalized advantages at different discount factors have different effective scales, this creates a scale-discrepancy vulnerability. Second, we identify the Paradox of Temporal Uncertainty in gradient-free error-based routing: short-horizon heads can receive the largest routing share because their prediction targets are easier, even when they are less aligned with delayed task success. As a structural response, we study Target Decoupling: the critic may retain multi-timescale auxiliary heads, but the actor is updated only with the long-horizon advantage. Target Decoupling is not presented as a broad performance booster; in this run set it removes the exploitable actor-side routing pathway and improves the observed worst-seed return. Code is available at https://github.com/ben-dlwlrma/Representation-Over-Routing.
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Machine Learning

SFT-GRPO Data Overlap as a Post-Training Hyperparameter for Autoformalization

Supervised fine-tuning (SFT) followed by Group Relative Policy Optimization (GRPO) is a common post-training recipe. We conduct a controlled ablation over SFT-GRPO data overlap, evaluating Qwen3-8B (thinking disabled) post-trained for Lean 4 autoformalization under six conditions that differ solely in training recipe: a base model, SFT-only, GRPO-only, and three SFT+GRPO configurations where 0 percent, 30 percent, or 100 percent of the GRPO prompts coincide with the SFT corpus. Keeping SFT and GRPO data disjoint consistently outperforms full overlap at zero additional compute cost. Evaluating on Gaokao-Formal and PutnamBench under both compile pass at k and semantic pass at k assessed by an LLM judge, we find that lower overlap is monotonically associated with higher compilation and semantic accuracy. At 0 percent overlap, GRPO yields a 10.4 percentage point semantic gain over SFT alone on Gaokao, while at 100 percent overlap both metrics remain flat, rendering the GRPO stage effectively redundant. We further show that dual-metric evaluation reveals compile semantic gaps exceeding 30 percentage points for the highest compiling models, a disparity invisible under compile-only benchmarking. To our knowledge, this is the first controlled investigation of SFT-GRPO data overlap as a post-training hyperparameter, demonstrating how model behavior varies based on the degree of data sharing between training stages.
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Machine Learning

Chain of Uncertain Rewards with Large Language Models for Reinforcement Learning

Designing effective reward functions is a cornerstone of reinforcement learning (RL), yet it remains a challenging and labor-intensive process due to the inefficiencies and inconsistencies inherent in traditional methods. Existing methods often rely on extensive manual design and evaluation steps, which are prone to redundancy and overlook local uncertainties at intermediate decision points. To address these challenges, we propose the Chain of Uncertain Rewards (CoUR), a novel framework that integrates large language models (LLMs) to streamline reward function design and evaluation in RL environments. Specifically, our CoUR introduces code uncertainty quantification with a similarity selection mechanism that combines textual and semantic analyses to identify and reuse the most relevant reward function components. By reducing redundant evaluations and leveraging Bayesian optimization on decoupled reward terms, CoUR enables a more efficient and robust search for optimal reward feedback. We comprehensively evaluate CoUR across nine original environments from IsaacGym and all 20 tasks from the Bidexterous Manipulation benchmark. The experimental results demonstrate that CoUR not only achieves better performance but also significantly lowers the cost of reward evaluations.
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Machine Learning · Cross-listed from stat.ML

Joint Representation Learning and Clustering via Gradient-Based Manifold Optimization

Clustering and dimensionality reduction have been crucial topics in machine learning and computer vision. Clustering high-dimensional data has been challenging for a long time due to the curse of dimensionality. For that reason, a more promising direction is the joint learning of dimension reduction and clustering. In this work, we propose a Manifold Learning Framework that learns dimensionality reduction and clustering simultaneously. The proposed framework is able to jointly learn the parameters of a dimension reduction technique (e.g. linear projection or a neural network) and cluster the data based on the resulting features (e.g. under a Gaussian Mixture Model framework). The framework searches for the dimension reduction parameters and the optimal clusters by traversing a manifold,using Gradient Manifold Optimization. The obtained The proposed framework is exemplified with a Gaussian Mixture Model as one simple but efficient example, in a process that is somehow similar to unsupervised Linear Discriminant Analysis (LDA). We apply the proposed method to the unsupervised training of simulated data as well as a benchmark image dataset (i.e. MNIST). The experimental results indicate that our algorithm has better performance than popular clustering algorithms from the literature.
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Machine Learning

Monthly Diffusion v0.9: A Latent Diffusion Model for the First AI-MIP

Here, we describe Monthly Diffusion at 1.5-degree grid spacing (MD-1.5 version 0.9), a climate emulator that leverages a spherical Fourier neural operator (SFNO)-inspired Conditional Variational Auto-Encoder (CVAE) architecture to model the evolution of low-frequency internal atmospheric variability using latent diffusion. MDv0.9 was designed to forward-step at monthly mean timesteps in a data-sparse regime, using modest computational requirements. This work describes the motivation behind the architecture design, the MDv0.9 training procedure, and initial results.
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Machine Learning

Bridging MARL to SARL: An Order-Independent Multi-Agent Transformer via Latent Consensus

Cooperative multi-agent reinforcement learning (MARL) is widely used to address large joint observation and action spaces by decomposing a centralized control problem into multiple interacting agents. However, such decomposition often introduces additional challenges, including non-stationarity, unstable training, weak coordination, and limited theoretical guarantees. In this paper, we propose the Consensus Multi-Agent Transformer (CMAT), a centralized framework that bridges cooperative MARL to a hierarchical single-agent reinforcement learning (SARL) formulation. CMAT treats all agents as a unified entity and employs a Transformer encoder to process the large joint observation space. To handle the extensive joint action space, we introduce a hierarchical decision-making mechanism in which a Transformer decoder autoregressively generates a high-level consensus vector, simulating the process by which agents reach agreement on their strategies in latent space. Conditioned on this consensus, all agents generate their actions simultaneously, enabling order-independent joint decision making and avoiding the sensitivity to action-generation order in conventional Multi-Agent Transformers (MAT). This factorization allows the joint policy to be optimized using single-agent PPO while preserving expressive coordination through the latent consensus. To evaluate the proposed method, we conduct experiments on benchmark tasks from StarCraft II, Multi-Agent MuJoCo, and Google Research Football. The results show that CMAT achieves superior performance over recent centralized solutions, sequential MARL methods, and conventional MARL baselines. The code for this paper is available at:https://github.com/RS2002/CMAT .
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Machine Learning

Computational framework for multistep metabolic pathway design

In silico tools are important for generating novel hypotheses and exploring alternatives in de novo metabolic pathway design. However, while many computational frameworks have been proposed for retrobiosynthesis, few successful examples of algorithm-guided xenobiotic biochemical retrosynthesis have been reported in the literature. Deep learning has improved the quality of synthesis and retrosynthesis in organic chemistry applications. Inspired by this progress, we explored combining deep learning of biochemical transformations with the traditional retrobiosynthetic workflow to improve in silico synthetic metabolic pathway designs. To develop our computational biosynthetic pathway design framework, we assembled metabolic reaction and enzymatic template data from public databases. A data augmentation procedure, adapted from literature, was carried out to enrich the assembled reaction dataset with artificial metabolic reactions generated by enzymatic reaction templates. Two neural network-based pathway ranking models were trained as binary classifiers to distinguish assembled reactions from artificial counterparts; each model output a scalar quantifying the plausibility of a 1-step or 2-step pathway. Combining these two models with enzymatic templates, we built a multistep retrobiosynthesis pipeline and validated it by reproducing some natural and non-natural pathways computationally.
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Machine Learning

Universality of Gaussian-Mixture Reverse Kernels in Conditional Diffusion

We prove that conditional diffusion models whose reverse kernels are finite Gaussian mixtures with ReLU-network logits can approximate suitably regular target distributions arbitrarily well in context-averaged conditional KL divergence, up to an irreducible terminal mismatch that typically vanishes with increasing diffusion horizon. A path-space decomposition reduces the output error to this mismatch plus per-step reverse-kernel errors; assuming each reverse kernel factors through a finite-dimensional feature map, each step becomes a static conditional density approximation problem, solved by composing Norets' Gaussian-mixture theory with quantitative ReLU bounds. Under exact terminal matching the resulting neural reverse-kernel class is dense in conditional KL.
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All authors Nafiz Ishtiaque, Syed Arefinul Haque, Kazi Ashraful Alam, Fatima Jahara

Machine Learning

Adaptive Unknown Fault Detection and Few-Shot Continual Learning for Condition Monitoring in Ultrasonic Metal Welding

Ultrasonic metal welding (UMW) is widely used in industrial applications but is sensitive to tool wear, surface contamination, and material variability, which can lead to unexpected process faults and unsatisfactory weld quality. Conventional monitoring systems typically rely on supervised learning models that assume all fault types are known in advance, limiting their ability to handle previously unseen process faults. To address this challenge, this paper proposes an adaptive condition monitoring approach that enables unknown fault detection and few-shot continual learning for UMW. Unknown faults are detected by analyzing hidden-layer representations of a multilayer perceptron and leveraging a statistical thresholding strategy. Once detected, the samples from unknown fault types are incorporated into the existing model through a continual learning procedure that selectively updates only the final layers of the network, which enables the model to recognize new fault types while preserving knowledge of existing classes. To accelerate the labeling process, cosine similarity transformation combined with a clustering algorithm groups similar unknown samples, thereby reducing manual labeling effort. Experimental results using a multi-sensor UMW dataset demonstrate that the proposed method achieves 96% accuracy in detecting unseen fault conditions while maintaining reliable classification of known classes. After incorporating a new fault type using only five labeled samples, the updated model achieves 98% testing classification accuracy. These results demonstrate that the proposed approach enables adaptive monitoring with minimal retraining cost and time. The proposed approach provides a scalable solution for continual learning in condition monitoring where new process conditions may constantly emerge over time and is extensible to other manufacturing processes.
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All authors Ahmadreza Eslaminia, Kuan-Chieh Lu, Klara Nahrstedt, Chenhui Shao

Machine Learning · Cross-listed from cs.SE

Learning from Change: Predictive Models for Incident Prevention in a Regulated IT Environment

Effective IT change management is important for businesses that depend on software and services, particularly in highly regulated sectors such as finance, where operational reliability, auditability, and explainability are essential. A significant portion of IT incidents are caused by changes, making it important to identify high-risk changes before deployment. This study presents a predictive incident risk scoring approach at a large international bank. The approach supports engineers during the assessment and planning phases of change deployments by predicting the potential of inducing incidents. To satisfy regulatory constraints, we built the model with auditability and explainability in mind, applying SHAP values to provide feature-level insights and ensure decisions are traceable and transparent. Using a one-year real-world dataset, we compare the existing rule-based process with three machine learning models: HGBC, LightGBM, and XGBoost. LightGBM achieved the best performance, particularly when enriched with aggregated team metrics that capture organisational context. Our results show that data-driven, interpretable models can outperform rule-based approaches while meeting compliance needs, enabling proactive risk mitigation and more reliable IT operations.
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All authors Eileen Kapel, Jan Lennartz, Luis Cruz, Diomidis Spinellis, Arie van Deursen

Machine Learning

From Order to Distribution: An Exact Operator Framework for Forgetting in Continual Learning

A central challenge in continual learning is forgetting: the loss of performance on previously learned tasks after learning new ones. Prior theory has analyzed forgetting under random orderings of fixed task collections in overparameterized linear regression. We shift the focus from task order to task distribution, asking how its structure determines forgetting. In the linear setting with a shared solution, i.i.d. task sampling, and sequential exact fitting, we derive an exact operator identity expressing historical forgetting directly in terms of the task distribution. Building on this identity, we establish an exponential decay guarantee for expected historical forgetting under every fixed task distribution in finite dimensions, characterize its asymptotic behavior, and relate decay to the distribution's coverage of observable directions. For an individual learned task, we show that subsequent tasks can collectively support recovery without exact revisits. We derive a lower bound on recovery time and construct a task distribution attaining its inverse-coverage scaling.
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Machine Learning

Asymmetric-Loss-Guided Hybrid CNN-BiLSTM-Attention Model for Industrial RUL Prediction with Interpretable Failure Heatmaps

Turbofan engine degradation under sustained operational stress necessitates robust prognostic systems capable of accurately estimating the Remaining Useful Life (RUL) of critical components. Existing deep learning approaches frequently fail to simultaneously capture multi-sensor spatial correlations and long-range temporal dependencies, while standard symmetric loss functions inadequately penalize the safety-critical error of over-estimating residual life. This study proposes a hybrid architecture integrating Twin-Stage One-Dimensional Convolutional Neural Networks (1D-CNN), a Bidirectional Long Short-Term Memory (BiLSTM) network, and a custom Bahdanau Additive Attention mechanism. The model was trained and evaluated on the NASA Commercial Modular Aero-Propulsion System Simulation (C-MAPSS) FD001 sub-dataset employing a zero-leakage preprocessing pipeline, piecewise-linear RUL labeling capped at 130 cycles, and the NASA-specified asymmetric exponential loss function that disproportionately penalizes over-estimation to enforce industrial safety constraints. Experiments on 100 test engines achieved a Root Mean Squared Error (RMSE) of 17.52 cycles and a NASA S-Score of 922.06. Furthermore, extracted attention weight heatmaps provide interpretable, per-engine insights into the temporal progression of degradation, supporting informed maintenance decision-making. The proposed framework demonstrates competitive performance against established baselines and offers a principled approach to safe, interpretable prognostics in industrial settings.
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Machine Learning

MyoVision: A Mobile Research Tool and NEATBoost-Attention Ensemble Framework for Real Time Chicken Breast Myopathy Detection

Woody Breast (WB) and Spaghetti Meat (SM) myopathies significantly impact poultry meat quality, yet current detection methods rely either on subjective manual evaluation or costly laboratory-grade imaging systems. We address the problem of low-cost, non-destructive multi-class myopathy classification using consumer smartphones. MyoVision is introduced as a mobile transillumination imaging framework in which 14-bit RAW images are captured and structural texture descriptors indicative of internal tissue abnormalities are extracted. To classify three categories (Normal, Woody Breast, Spaghetti Meat), we propose a NEATBoost-Attention Ensemble model, which is a neuroevolution-optimized weighted fusion of LightGBM and attention-based MLP models. Hyperparameters are automatically discovered using NeuroEvolution of Augmenting Topologies (NEAT), eliminating manual tuning and enabling architecture diversity for small tabular datasets. On a dataset of 336 fillets collected from a commercial processing facility, our method achieves 82.4% test accuracy (F1 = 0.83), outperforming conventional machine learning and deep learning baselines and matching performance reported by hyperspectral imaging systems costing orders of magnitude more. Beyond classification performance, MyoVision establishes a reproducible mobile RGB-D acquisition pipeline for multimodal meat quality research, demonstrating that consumer-grade imaging can support scalable internal tissue assessment.
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