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Multiscale Grassmann Manifolds for Single-Cell Data Analysis
paper
arXiv cs.LG3 days ago

arXiv:2511.11717v1 Announce Type: new Abstract: Single-cell data analysis seeks to characterize cellular heterogeneity based on high-dimensional gene expression profiles. Conventional approaches represent each cell as a vector in Euclidean space, which limits their ability to capture intrinsic correlations and multiscale geometric structures. We propose a multiscale framework based on Grassmann manifolds that integrates machine learning with subspace geometry for single-cell data analysis. By generating embeddings under multiple representation scales, the framework combines their features from different geometric views into a unified Grassmann manifold. A power-based scale sampling function is introduced to control the selection of scales and balance in- formation across resolutions. Experiments on nine benchmark single-cell RNA-seq datasets demonstrate that the proposed approach effectively preserves meaningful structures and provides stable clustering performance, particularly for small to medium-sized datasets. These results suggest that Grassmann manifolds offer a coherent and informative foundation for analyzing single cell data.

Score · 2.80
Physics-Informed Neural ODEs with Scale-Aware Residuals for Learning Stiff Biophysical Dynamics
paper
arXiv cs.LG3 days ago

arXiv:2511.11734v1 Announce Type: new Abstract: Neural differential equations offer a powerful framework for modeling continuous-time dynamics, but forecasting stiff biophysical systems remains unreliable. Standard Neural ODEs and physics informed variants often require orders of magnitude more iterations, and even then may converge to suboptimal solutions that fail to preserve oscillatory frequency or amplitude. We introduce PhysicsInformed Neural ODEs with with Scale-Aware Residuals (PI-NODE-SR), a framework that combines a low-order explicit solver (Heun method) residual normalisation to balance contributions between state variables evolving on disparate timescales. This combination stabilises training under realistic iteration budgets and avoids reliance on computationally expensive implicit solvers. On the Hodgkin-Huxley equations, PI-NODE-SR learns from a single oscillation simulated with a stiff solver (Rodas5P) and extrapolates beyond 100 ms, capturing both oscillation frequency and near-correct amplitudes. Remarkably, end-to-end learning of the vector field enables PI-NODE-SR to recover morphological features such as sharp subthreshold curvature in gating variables that are typically reserved for higher-order solvers, suggesting that neural correction can offset numerical diffusion. While performance remains sensitive to initialisation, PI-NODE-SR consistently reduces long-horizon errors relative to baseline Neural-ODEs and PINNs, offering a principled route to stable and efficient learning of stiff biological dynamics.

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Score · 2.80
KAN/H: Kolmogorov-Arnold Network using Haar-like bases
paper
arXiv cs.LG3 days ago

arXiv:2511.11736v1 Announce Type: new Abstract: This paper proposes KAN/H, a variant of Kolmogorov-Arnold Network (KAN) that uses a Haar-variant basis system having both global and local bases instead of B-spline. The resulting algorithm is applied to function approximation problems and MNIST. We show that it does not require most of the problem-specific hyper-parameter tunings.

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Score · 2.80
DK-Root: A Joint Data-and-Knowledge-Driven Framework for Root Cause Analysis of QoE Degradations in Mobile Networks
paper
arXiv cs.LG3 days ago

arXiv:2511.11737v1 Announce Type: new Abstract: Diagnosing the root causes of Quality of Experience (QoE) degradations in operational mobile networks is challenging due to complex cross-layer interactions among kernel performance indicators (KPIs) and the scarcity of reliable expert annotations. Although rule-based heuristics can generate labels at scale, they are noisy and coarse-grained, limiting the accuracy of purely data-driven approaches. To address this, we propose DK-Root, a joint data-and-knowledge-driven framework that unifies scalable weak supervision with precise expert guidance for robust root-cause analysis. DK-Root first pretrains an encoder via contrastive representation learning using abundant rule-based labels while explicitly denoising their noise through a supervised contrastive objective. To supply task-faithful data augmentation, we introduce a class-conditional diffusion model that generates KPIs sequences preserving root-cause semantics, and by controlling reverse diffusion steps, it produces weak and strong augmentations that improve intra-class compactness and inter-class separability. Finally, the encoder and the lightweight classifier are jointly fine-tuned with scarce expert-verified labels to sharpen decision boundaries. Extensive experiments on a real-world, operator-grade dataset demonstrate state-of-the-art accuracy, with DK-Root surpassing traditional ML and recent semi-supervised time-series methods. Ablations confirm the necessity of the conditional diffusion augmentation and the pretrain-finetune design, validating both representation quality and classification gains.

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Score · 2.80
Uncertainty Makes It Stable: Curiosity-Driven Quantized Mixture-of-Experts
paper
arXiv cs.LG3 days ago

arXiv:2511.11743v1 Announce Type: new Abstract: Deploying deep neural networks on resource-constrained devices faces two critical challenges: maintaining accuracy under aggressive quantization while ensuring predictable inference latency. We present a curiosity-driven quantized Mixture-of-Experts framework that addresses both through Bayesian epistemic uncertainty-based routing across heterogeneous experts (BitNet ternary, 1-16 bit BitLinear, post-training quantization). Evaluated on audio classification benchmarks (ESC-50, Quinn, UrbanSound8K), our 4-bit quantization maintains 99.9 percent of 16-bit accuracy (0.858 vs 0.859 F1) with 4x compression and 41 percent energy savings versus 8-bit. Crucially, curiosity-driven routing reduces MoE latency variance by 82 percent (p = 0.008, Levene's test) from 230 ms to 29 ms standard deviation, enabling stable inference for battery-constrained devices. Statistical analysis confirms 4-bit/8-bit achieve practical equivalence with full precision (p > 0.05), while MoE architectures introduce 11 percent latency overhead (p < 0.001) without accuracy gains. At scale, deployment emissions dominate training by 10000x for models serving more than 1,000 inferences, making inference efficiency critical. Our information-theoretic routing demonstrates that adaptive quantization yields accurate (0.858 F1, 1.2M params), energy-efficient (3.87 F1/mJ), and predictable edge models, with simple 4-bit quantized architectures outperforming complex MoE for most deployments.

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Score · 2.80
Diffusion Models: A Mathematical Introduction
paper
arXiv cs.LG3 days ago

arXiv:2511.11746v1 Announce Type: new Abstract: We present a concise, self-contained derivation of diffusion-based generative models. Starting from basic properties of Gaussian distributions (densities, quadratic expectations, re-parameterisation, products, and KL divergences), we construct denoising diffusion probabilistic models from first principles. This includes the forward noising process, its closed-form marginals, the exact discrete reverse posterior, and the related variational bound. This bound simplifies to the standard noise-prediction goal used in practice. We then discuss likelihood estimation and accelerated sampling, covering DDIM, adversarially learned reverse dynamics (DDGAN), and multi-scale variants such as nested and latent diffusion, with Stable Diffusion as a canonical example. A continuous-time formulation follows, in which we derive the probability-flow ODE from the diffusion SDE via the continuity and Fokker-Planck equations, introduce flow matching, and show how rectified flows recover DDIM up to a time re-parameterisation. Finally, we treat guided diffusion, interpreting classifier guidance as a posterior score correction and classifier-free guidance as a principled interpolation between conditional and unconditional scores. Throughout, the focus is on transparent algebra, explicit intermediate steps, and consistent notation, so that readers can both follow the theory and implement the corresponding algorithms in practice.

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Score · 2.80
IDOL: Meeting Diverse Distribution Shifts with Prior Physics for Tropical Cyclone Multi-Task Estimation
paper
arXiv cs.LG3 days ago

arXiv:2511.11750v1 Announce Type: new Abstract: Tropical Cyclone (TC) estimation aims to accurately estimate various TC attributes in real time. However, distribution shifts arising from the complex and dynamic nature of TC environmental fields, such as varying geographical conditions and seasonal changes, present significant challenges to reliable estimation. Most existing methods rely on multi-modal fusion for feature extraction but overlook the intrinsic distribution of feature representations, leading to poor generalization under out-of-distribution (OOD) scenarios. To address this, we propose an effective Identity Distribution-Oriented Physical Invariant Learning framework (IDOL), which imposes identity-oriented constraints to regulate the feature space under the guidance of prior physical knowledge, thereby dealing distribution variability with physical invariance. Specifically, the proposed IDOL employs the wind field model and dark correlation knowledge of TC to model task-shared and task-specific identity tokens. These tokens capture task dependencies and intrinsic physical invariances of TC, enabling robust estimation of TC wind speed, pressure, inner-core, and outer-core size under distribution shifts. Extensive experiments conducted on multiple datasets and tasks demonstrate the outperformance of the proposed IDOL, verifying that imposing identity-oriented constraints based on prior physical knowledge can effectively mitigates diverse distribution shifts in TC estimation.Code is available at https://github.com/Zjut-MultimediaPlus/IDOL.

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Score · 2.80
Learning Fair Representations with Kolmogorov-Arnold Networks
paper
arXiv cs.LG3 days ago

arXiv:2511.11767v1 Announce Type: new Abstract: Despite recent advances in fairness-aware machine learning, predictive models often exhibit discriminatory behavior towards marginalized groups. Such unfairness might arise from biased training data, model design, or representational disparities across groups, posing significant challenges in high-stakes decision-making domains such as college admissions. While existing fair learning models aim to mitigate bias, achieving an optimal trade-off between fairness and accuracy remains a challenge. Moreover, the reliance on black-box models hinders interpretability, limiting their applicability in socially sensitive domains. In this paper, we try to circumvent these issues by integrating Kolmogorov-Arnold Networks (KANs) within a fair adversarial learning framework. Leveraging the adversarial robustness and interpretability of KANs, our approach enables a balance between fairness and accuracy. To further facilitate this balance, we propose an adaptive penalty update mechanism that dynamically adjusts fairness constraints during the model training. We conduct numerical experiments on two real-world college admissions datasets, across three different optimization strategies. The results demonstrate the efficiency and robustness of KANs by consistently outperforming the baseline fair learning models, and maintaining high predictive accuracy while achieving competitive fairness across sensitive attributes.

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Score · 2.80
CATCHFed: Efficient Unlabeled Data Utilization for Semi-Supervised Federated Learning in Limited Labels Environments
paper
arXiv cs.LG3 days ago

arXiv:2511.11778v1 Announce Type: new Abstract: Federated learning is a promising paradigm that utilizes distributed client resources while preserving data privacy. Most existing FL approaches assume clients possess labeled data, however, in real-world scenarios, client-side labels are often unavailable. Semi-supervised Federated learning, where only the server holds labeled data, addresses this issue. However, it experiences significant performance degradation as the number of labeled data decreases. To tackle this problem, we propose \textit{CATCHFed}, which introduces client-aware adaptive thresholds considering class difficulty, hybrid thresholds to enhance pseudo-label quality, and utilizes unpseudo-labeled data for consistency regularization. Extensive experiments across various datasets and configurations demonstrate that CATCHFed effectively leverages unlabeled client data, achieving superior performance even in extremely limited-label settings.

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Score · 2.80
Simplicial covering dimension of extremal concept classes
paper
arXiv cs.LG3 days ago

arXiv:2511.11819v1 Announce Type: new Abstract: Dimension theory is a branch of topology concerned with defining and analyzing dimensions of geometric and topological spaces in purely topological terms. In this work, we adapt the classical notion of topological dimension (Lebesgue covering) to binary concept classes. The topological space naturally associated with a concept class is its space of realizable distributions. The loss function and the class itself induce a simplicial structure on this space, with respect to which we define a simplicial covering dimension. We prove that for finite concept classes, this simplicial covering dimension exactly characterizes the list replicability number (equivalently, global stability) in PAC learning. This connection allows us to apply tools from classical dimension theory to compute the exact list replicability number of the broad family of extremal concept classes.

Score · 2.80
Conformal Constrained Policy Optimization for Cost-Effective LLM Agents
paper
arXiv cs.LG3 days ago

arXiv:2511.11828v1 Announce Type: new Abstract: While large language models (LLMs) have recently made tremendous progress towards solving challenging AI problems, they have done so at increasingly steep computational and API costs. We propose a novel strategy where we combine multiple LLM models with varying cost/accuracy tradeoffs in an agentic manner, where models and tools are run in sequence as determined by an orchestration model to minimize cost subject to a user-specified level of reliability; this constraint is formalized using conformal prediction to provide guarantees. To solve this problem, we propose Conformal Constrained Policy Optimization (CCPO), a training paradigm that integrates constrained policy optimization with off-policy reinforcement learning and recent advances in online conformal prediction. CCPO jointly optimizes a cost-aware policy (score function) and an adaptive threshold. Across two multi-hop question answering benchmarks, CCPO achieves up to a 30% cost reduction compared to other cost-aware baselines and LLM-guided methods without compromising reliability. Our approach provides a principled and practical framework for deploying LLM agents that are significantly more cost-effective while maintaining reliability.

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Score · 2.80
Volatility in Certainty (VC): A Metric for Detecting Adversarial Perturbations During Inference in Neural Network Classifiers
paper
arXiv cs.LG3 days ago

arXiv:2511.11834v1 Announce Type: new Abstract: Adversarial robustness remains a critical challenge in deploying neural network classifiers, particularly in real-time systems where ground-truth labels are unavailable during inference. This paper investigates \textit{Volatility in Certainty} (VC), a recently proposed, label-free metric that quantifies irregularities in model confidence by measuring the dispersion of sorted softmax outputs. Specifically, VC is defined as the average squared log-ratio of adjacent certainty values, capturing local fluctuations in model output smoothness. We evaluate VC as a proxy for classification accuracy and as an indicator of adversarial drift. Experiments are conducted on artificial neural networks (ANNs) and convolutional neural networks (CNNs) trained on MNIST, as well as a regularized VGG-like model trained on CIFAR-10. Adversarial examples are generated using the Fast Gradient Sign Method (FGSM) across varying perturbation magnitudes. In addition, mixed test sets are created by gradually introducing adversarial contamination to assess VC's sensitivity under incremental distribution shifts. Our results reveal a strong negative correlation between classification accuracy and log(VC) (correlation rho < -0.90 in most cases), suggesting that VC effectively reflects performance degradation without requiring labeled data. These findings position VC as a scalable, architecture-agnostic, and real-time performance metric suitable for early-warning systems in safety-critical applications.

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Score · 2.80
Robust Bidirectional Associative Memory via Regularization Inspired by the Subspace Rotation Algorithm
paper
arXiv cs.LG3 days ago

arXiv:2511.11902v1 Announce Type: new Abstract: Bidirectional Associative Memory (BAM) trained with Bidirectional Backpropagation (B-BP) often suffers from poor robustness and high sensitivity to noise and adversarial attacks. To address these issues, we propose a novel gradient-free training algorithm, the Bidirectional Subspace Rotation Algorithm (B-SRA), which significantly improves the robustness and convergence behavior of BAM. Through comprehensive experiments, we identify two key principles -- orthogonal weight matrices (OWM) and gradient-pattern alignment (GPA) -- as central to enhancing the robustness of BAM. Motivated by these findings, we introduce new regularization strategies into B-BP, resulting in models with greatly improved resistance to corruption and adversarial perturbations. We further conduct an ablation study across different training strategies to determine the most robust configuration and evaluate BAM's performance under a variety of attack scenarios and memory capacities, including 50, 100, and 200 associative pairs. Among all methods, the SAME configuration, which integrates both OWM and GPA, achieves the strongest resilience. Overall, our results demonstrate that B-SRA and the proposed regularization strategies lead to substantially more robust associative memories and open new directions for building resilient neural architectures.

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Score · 2.80
A Systematic Study of Model Extraction Attacks on Graph Foundation Models
paper
arXiv cs.LG3 days ago

arXiv:2511.11912v1 Announce Type: new Abstract: Graph machine learning has advanced rapidly in tasks such as link prediction, anomaly detection, and node classification. As models scale up, pretrained graph models have become valuable intellectual assets because they encode extensive computation and domain expertise. Building on these advances, Graph Foundation Models (GFMs) mark a major step forward by jointly pretraining graph and text encoders on massive and diverse data. This unifies structural and semantic understanding, enables zero-shot inference, and supports applications such as fraud detection and biomedical analysis. However, the high pretraining cost and broad cross-domain knowledge in GFMs also make them attractive targets for model extraction attacks (MEAs). Prior work has focused only on small graph neural networks trained on a single graph, leaving the security implications for large-scale and multimodal GFMs largely unexplored. This paper presents the first systematic study of MEAs against GFMs. We formalize a black-box threat model and define six practical attack scenarios covering domain-level and graph-specific extraction goals, architectural mismatch, limited query budgets, partial node access, and training data discrepancies. To instantiate these attacks, we introduce a lightweight extraction method that trains an attacker encoder using supervised regression of graph embeddings. Even without contrastive pretraining data, this method learns an encoder that stays aligned with the victim text encoder and preserves its zero-shot inference ability on unseen graphs. Experiments on seven datasets show that the attacker can approximate the victim model using only a tiny fraction of its original training cost, with almost no loss in accuracy. These findings reveal that GFMs greatly expand the MEA surface and highlight the need for deployment-aware security defenses in large-scale graph learning systems.

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Score · 2.80
Batch Matrix-form Equations and Implementation of Multilayer Perceptrons
paper
arXiv cs.LG3 days ago

arXiv:2511.11918v1 Announce Type: new Abstract: Multilayer perceptrons (MLPs) remain fundamental to modern deep learning, yet their algorithmic details are rarely presented in complete, explicit \emph{batch matrix-form}. Rather, most references express gradients per sample or rely on automatic differentiation. Although automatic differentiation can achieve equally high computational efficiency, the usage of batch matrix-form makes the computational structure explicit, which is essential for transparent, systematic analysis, and optimization in settings such as sparse neural networks. This paper fills that gap by providing a mathematically rigorous and implementation-ready specification of MLPs in batch matrix-form. We derive forward and backward equations for all standard and advanced layers, including batch normalization and softmax, and validate all equations using the symbolic mathematics library SymPy. From these specifications, we construct uniform reference implementations in NumPy, PyTorch, JAX, TensorFlow, and a high-performance C++ backend optimized for sparse operations. Our main contributions are: (1) a complete derivation of batch matrix-form backpropagation for MLPs, (2) symbolic validation of all gradient equations, (3) uniform Python and C++ reference implementations grounded in a small set of matrix primitives, and (4) demonstration of how explicit formulations enable efficient sparse computation. Together, these results establish a validated, extensible foundation for understanding, teaching, and researching neural network algorithms.

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Score · 2.80
Beyond the Laplacian: Interpolated Spectral Augmentation for Graph Neural Networks
paper
arXiv cs.LG3 days ago

arXiv:2511.11928v1 Announce Type: new Abstract: Graph neural networks (GNNs) are fundamental tools in graph machine learning. The performance of GNNs relies crucially on the availability of informative node features, which can be limited or absent in real-life datasets and applications. A natural remedy is to augment the node features with embeddings computed from eigenvectors of the graph Laplacian matrix. While it is natural to default to Laplacian spectral embeddings, which capture meaningful graph connectivity information, we ask whether spectral embeddings from alternative graph matrices can also provide useful representations for learning. We introduce Interpolated Laplacian Embeddings (ILEs), which are derived from a simple yet expressive family of graph matrices. Using tools from spectral graph theory, we offer a straightforward interpretation of the structural information that ILEs capture. We demonstrate through simulations and experiments on real-world datasets that feature augmentation via ILEs can improve performance across commonly used GNN architectures. Our work offers a straightforward and practical approach that broadens the practitioner's spectral augmentation toolkit when node features are limited.

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Score · 2.80
SurvBench: A Standardised Preprocessing Pipeline for Multi-Modal Electronic Health Record Survival Analysis
paper
arXiv cs.LG3 days ago

arXiv:2511.11935v1 Announce Type: new Abstract: Electronic health record (EHR) data present tremendous opportunities for advancing survival analysis through deep learning, yet reproducibility remains severely constrained by inconsistent preprocessing methodologies. We present SurvBench, a comprehensive, open-source preprocessing pipeline that transforms raw PhysioNet datasets into standardised, model-ready tensors for multi-modal survival analysis. SurvBench provides data loaders for three major critical care databases, MIMIC-IV, eICU, and MC-MED, supporting diverse modalities including time-series vitals, static demographics, ICD diagnosis codes, and radiology reports. The pipeline implements rigorous data quality controls, patient-level splitting to prevent data leakage, explicit missingness tracking, and standardised temporal aggregation. SurvBench handles both single-risk (e.g., in-hospital mortality) and competing-risks scenarios (e.g., multiple discharge outcomes). The outputs are compatible with pycox library packages and implementations of standard statistical and deep learning models. By providing reproducible, configuration-driven preprocessing with comprehensive documentation, SurvBench addresses the "preprocessing gap" that has hindered fair comparison of deep learning survival models, enabling researchers to focus on methodological innovation rather than data engineering.

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Score · 2.80
Learning the relative composition of EEG signals using pairwise relative shift pretraining
paper
arXiv cs.LG3 days ago

arXiv:2511.11940v1 Announce Type: new Abstract: Self-supervised learning (SSL) offers a promising approach for learning electroencephalography (EEG) representations from unlabeled data, reducing the need for expensive annotations for clinical applications like sleep staging and seizure detection. While current EEG SSL methods predominantly use masked reconstruction strategies like masked autoencoders (MAE) that capture local temporal patterns, position prediction pretraining remains underexplored despite its potential to learn long-range dependencies in neural signals. We introduce PAirwise Relative Shift or PARS pretraining, a novel pretext task that predicts relative temporal shifts between randomly sampled EEG window pairs. Unlike reconstruction-based methods that focus on local pattern recovery, PARS encourages encoders to capture relative temporal composition and long-range dependencies inherent in neural signals. Through comprehensive evaluation on various EEG decoding tasks, we demonstrate that PARS-pretrained transformers consistently outperform existing pretraining strategies in label-efficient and transfer learning settings, establishing a new paradigm for self-supervised EEG representation learning.

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Score · 2.80
Computation-aware Energy-harvesting Federated Learning: Cyclic Scheduling with Selective Participation
paper
arXiv cs.LG3 days ago

arXiv:2511.11949v1 Announce Type: new Abstract: Federated Learning (FL) is a powerful paradigm for distributed learning, but its increasing complexity leads to significant energy consumption from client-side computations for training models. In particular, the challenge is critical in energy-harvesting FL (EHFL) systems where participation availability of each device oscillates due to limited energy. To address this, we propose FedBacys, a battery-aware EHFL framework using cyclic client participation based on users' battery levels. By clustering clients and scheduling them sequentially, FedBacys minimizes redundant computations, reduces system-wide energy usage, and improves learning stability. We also introduce FedBacys-Odd, a more energy-efficient variant that allows clients to participate selectively, further reducing energy costs without compromising performance. We provide a convergence analysis for our framework and demonstrate its superior energy efficiency and robustness compared to existing algorithms through numerical experiments.

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Score · 2.80
Quantile Q-Learning: Revisiting Offline Extreme Q-Learning with Quantile Regression
paper
arXiv cs.LG3 days ago

arXiv:2511.11973v1 Announce Type: new Abstract: Offline reinforcement learning (RL) enables policy learning from fixed datasets without further environment interaction, making it particularly valuable in high-risk or costly domains. Extreme $Q$-Learning (XQL) is a recent offline RL method that models Bellman errors using the Extreme Value Theorem, yielding strong empirical performance. However, XQL and its stabilized variant MXQL suffer from notable limitations: both require extensive hyperparameter tuning specific to each dataset and domain, and also exhibit instability during training. To address these issues, we proposed a principled method to estimate the temperature coefficient $\beta$ via quantile regression under mild assumptions. To further improve training stability, we introduce a value regularization technique with mild generalization, inspired by recent advances in constrained value learning. Experimental results demonstrate that the proposed algorithm achieves competitive or superior performance across a range of benchmark tasks, including D4RL and NeoRL2, while maintaining stable training dynamics and using a consistent set of hyperparameters across all datasets and domains.

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Score · 2.80
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