arXiv:2602.19138v1 Announce Type: new Abstract: EEG-based neural decoding models often fail to generalize across acquisition sites due to structured, site-dependent biases implicitly exploited during training. We reformulate cross-site clinical EEG learning as a bias-factorized generalization problem, in which domain shifts arise from multiple interacting sources. We identify three fundamental bias factors and propose a general training framework that mitigates their influence through data standardization and representation-level constraints. We construct a standardized multi-site EEG benchmark for Major Depressive Disorder and introduce CRCC, a two-stage training paradigm combining encoder-decoder pretraining with joint fine-tuning via cross-subject/site contrastive learning and site-adversarial optimization. CRCC consistently outperforms state-of-the-art baselines and achieves a 10.7 percentage-point improvement in balanced accuracy under strict zero-shot site transfer, demonstrating robust generalization to unseen environments.

arXiv:2602.19244v1 Announce Type: new Abstract: On-the-fly Directed Controller Synthesis (OTF-DCS) mitigates state-space explosion by incrementally exploring the system and relies critically on an exploration policy to guide search efficiently. Recent reinforcement learning (RL) approaches learn such policies and achieve promising zero-shot generalization from small training instances to larger unseen ones. However, a fundamental limitation is anisotropic generalization, where an RL policy exhibits strong performance only in a specific region of the domain-parameter space while remaining fragile elsewhere due to training stochasticity and trajectory-dependent bias. To address this, we propose a Soft Mixture-of-Experts framework that combines multiple RL experts via a prior-confidence gating mechanism and treats these anisotropic behaviors as complementary specializations. The evaluation on the Air Traffic benchmark shows that Soft-MoE substantially expands the solvable parameter space and improves robustness compared to any single expert.

arXiv:2602.19281v1 Announce Type: new Abstract: The test-time compute strategy, such as Chain-of-Thought (CoT), has significantly enhanced the ability of large language models to solve complex tasks like logical reasoning. However, empirical studies indicate that simply increasing the compute budget can sometimes lead to a collapse in test-time performance when employing typical task decomposition strategies such as CoT. This work hypothesizes that reasoning failures with larger compute budgets stem from static planning methods, which hardly perceive the intrinsic boundaries of LLM reasoning. We term it as the Limited Reasoning Space hypothesis and perform theoretical analysis through the lens of a non-autonomous stochastic dynamical system. This insight suggests that there is an optimal range for compute budgets; over-planning can lead to redundant feedback and may even impair reasoning capabilities. To exploit the compute-scaling benefits and suppress over-planning, this work proposes Halo, a model predictive control framework for LLM planning. Halo is designed for long-horizon tasks with reason-based planning and crafts an entropy-driven dual controller, which adopts a Measure-then-Plan strategy to achieve controllable reasoning. Experimental results demonstrate that Halo outperforms static baselines on complex long-horizon tasks by dynamically regulating planning at the reasoning boundary.

arXiv:2602.19416v1 Announce Type: new Abstract: Reinforcement Learning from Human Feedback (RLHF) enables powerful LLM alignment but can introduce reward hacking - models exploit spurious correlations in proxy rewards without genuine alignment. Compounding this, the objectives internalized during RLHF remain opaque, making hacking behaviors difficult to detect or correct. We introduce IR3 (Interpretable Reward Reconstruction and Rectification), a framework that reverse-engineers, interprets, and surgically repairs the implicit objectives driving RLHF-tuned models. We propose Contrastive Inverse Reinforcement Learning (C-IRL), which reconstructs the implicit reward function by contrasting paired responses from post-alignment and baseline policies to explain behavioral shifts during RLHF. We then decompose the reconstructed reward via sparse autoencoders into interpretable features, enabling identification of hacking signatures through contribution analysis. Finally, we propose mitigation strategies - clean reward optimization, adversarial shaping, constrained optimization, and feature-guided distillation - that target problematic features while preserving beneficial alignment. Experiments across multiple reward model configurations show that IR3 achieves 0.89 correlation with ground-truth rewards, identifies hacking features with over 90% precision, and significantly reduces hacking behaviors while maintaining capabilities within 3% of the original model.

arXiv:2602.19439v1 Announce Type: new Abstract: Problem Definition. Supply chain optimization models frequently become infeasible because of modeling errors. Diagnosis and repair require scarce OR expertise: analysts must interpret solver diagnostics, trace root causes across echelons, and fix formulations without sacrificing operational soundness. Whether AI agents can perform this task remains untested. Methodology/Results. OptiRepair splits this task into a domain-agnostic feasibility phase (iterative IIS-guided repair of any LP) and a domain-specific validation phase (five rationality checks grounded in inventory theory). We test 22 API models from 7 families on 976 multi-echelon supply chain problems and train two 8B-parameter models using self-taught reasoning with solver-verified rewards. The trained models reach 81.7% Rational Recovery Rate (RRR) -- the fraction of problems resolved to both feasibility and operational rationality -- versus 42.2% for the best API model and 21.3% on average. The gap concentrates in Phase 1 repair: API models average 27.6% recovery rate versus 97.2% for trained models. Managerial Implications. Two gaps separate current AI from reliable model repair: solver interaction (API models restore only 27.6% of infeasible formulations) and operational rationale (roughly one in four feasible repairs violate supply chain theory). Each requires a different intervention: solver interaction responds to targeted training; operational rationale requires explicit specification as solver-verifiable checks. For organizations adopting AI in operational planning, formalizing what "rational" means in their context is the higher-return investment.

arXiv:2602.19620v1 Announce Type: new Abstract: Rules and Weights are popular XAI techniques for explaining AI decisions. Yet, it remains unclear how to choose between them, lacking a cognitive framework to compare their interpretability. In an elicitation user study on forward and counterfactual decision tasks, we identified 7 reasoning strategies of interpreting three XAI Schemas - weights, rules, and their hybrid. To analyze their capabilities, we propose CoXAM, a Cognitive XAI-Adaptive Model with shared memory representation to encode instance attributes, linear weights, and decision rules. CoXAM employs computational rationality to choose among reasoning processes based on the trade-off in utility and reasoning time, separately for forward or counterfactual decision tasks. In a validation study, CoXAM demonstrated a stronger alignment with human decision-making compared to baseline machine learning proxy models. The model successfully replicated and explained several key empirical findings, including that counterfactual tasks are inherently harder than forward tasks, decision tree rules are harder to recall and apply than linear weights, and the helpfulness of XAI depends on the application data context, alongside identifying which underlying reasoning strategies were most effective. With CoXAM, we contribute a cognitive basis to accelerate debugging and benchmarking disparate XAI techniques.

arXiv:2602.19672v1 Announce Type: new Abstract: Compound AI systems promise capabilities beyond those of individual models, yet their success depends critically on effective orchestration. Existing routing approaches face two limitations: (1) input-level routers make coarse query-level decisions that ignore evolving task requirements; (2) RL-trained orchestrators are expensive to adapt and often suffer from routing collapse, repeatedly invoking one strong but costly option in multi-turn scenarios. We introduce SkillOrchestra, a framework for skill-aware orchestration. Instead of directly learning a routing policy end-to-end, SkillOrchestra learns fine-grained skills from execution experience and models agent-specific competence and cost under those skills. At deployment, the orchestrator infers the skill demands of the current interaction and selects agents that best satisfy them under an explicit performance-cost trade-off. Extensive experiments across ten benchmarks demonstrate that SkillOrchestra outperforms SoTA RL-based orchestrators by up to 22.5% with 700x and 300x learning cost reduction compared to Router-R1 and ToolOrchestra, respectively. These results show that explicit skill modeling enables scalable, interpretable, and sample-efficient orchestration, offering a principled alternative to data-intensive RL-based approaches. The code is available at: https://github.com/jiayuww/SkillOrchestra.

arXiv:2602.20021v1 Announce Type: new Abstract: We report an exploratory red-teaming study of autonomous language-model-powered agents deployed in a live laboratory environment with persistent memory, email accounts, Discord access, file systems, and shell execution. Over a two-week period, twenty AI researchers interacted with the agents under benign and adversarial conditions. Focusing on failures emerging from the integration of language models with autonomy, tool use, and multi-party communication, we document eleven representative case studies. Observed behaviors include unauthorized compliance with non-owners, disclosure of sensitive information, execution of destructive system-level actions, denial-of-service conditions, uncontrolled resource consumption, identity spoofing vulnerabilities, cross-agent propagation of unsafe practices, and partial system takeover. In several cases, agents reported task completion while the underlying system state contradicted those reports. We also report on some of the failed attempts. Our findings establish the existence of security-, privacy-, and governance-relevant vulnerabilities in realistic deployment settings. These behaviors raise unresolved questions regarding accountability, delegated authority, and responsibility for downstream harms, and warrant urgent attention from legal scholars, policymakers, and researchers across disciplines. This report serves as an initial empirical contribution to that broader conversation.

arXiv:2602.20094v1 Announce Type: new Abstract: As large language models (LLMs) witness increasing deployment in complex, high-stakes decision-making scenarios, it becomes imperative to ground their reasoning in causality rather than spurious correlations. However, strong performance on traditional reasoning benchmarks does not guarantee true causal reasoning ability of LLMs, as high accuracy may still arise from memorizing semantic patterns instead of analyzing the underlying true causal structures. To bridge this critical gap, we propose a new causal reasoning benchmark, CausalFlip, designed to encourage the development of new LLM paradigm or training algorithms that ground LLM reasoning in causality rather than semantic correlation. CausalFlip consists of causal judgment questions built over event triples that could form different confounder, chain, and collider relations. Based on this, for each event triple, we construct pairs of semantically similar questions that reuse the same events but yield opposite causal answers, where models that rely heavily on semantic matching are systematically driven toward incorrect predictions. To further probe models' reliance on semantic patterns, we introduce a noisy-prefix evaluation that prepends causally irrelevant text before intermediate causal reasoning steps without altering the underlying causal relations or the logic of the reasoning process. We evaluate LLMs under multiple training paradigms, including answer-only training, explicit Chain-of-Thought (CoT) supervision, and a proposed internalized causal reasoning approach that aims to mitigate explicit reliance on correlation in the reasoning process. Our results show that explicit CoT can still be misled by spurious semantic correlations, where internalizing reasoning steps yields substantially improved causal grounding, suggesting that it is promising to better elicit the latent causal reasoning capabilities of base LLMs.

arXiv:2602.20141v1 Announce Type: new Abstract: Mean Field Games (MFGs) provide a principled framework for modeling interactions in large population models: at scale, population dynamics become deterministic, with uncertainty entering only through aggregate shocks, or common noise. However, algorithmic progress has been limited since model-free methods are too high variance and exact methods scale poorly. Recent Hybrid Structural Methods (HSMs) use Monte Carlo rollouts for the common noise in combination with exact estimation of the expected return, conditioned on those samples. However, HSMs have not been scaled to Partially Observable settings. We propose Recurrent Structural Policy Gradient (RSPG), the first history-aware HSM for settings involving public information. We also introduce MFAX, our JAX-based framework for MFGs. By leveraging known transition dynamics, RSPG achieves state-of-the-art performance as well as an order-of-magnitude faster convergence and solves, for the first time, a macroeconomics MFG with heterogeneous agents, common noise and history-aware policies. MFAX is publicly available at: https://github.com/CWibault/mfax.

arXiv:2507.19418v1 Announce Type: cross Abstract: Blind image quality assessment (BIQA) methods often incorporate auxiliary tasks to improve performance. However, existing approaches face limitations due to insufficient integration and a lack of flexible uncertainty estimation, leading to suboptimal performance. To address these challenges, we propose a multitasks-based Deep Evidential Fusion Network (DEFNet) for BIQA, which performs multitask optimization with the assistance of scene and distortion type classification tasks. To achieve a more robust and reliable representation, we design a novel trustworthy information fusion strategy. It first combines diverse features and patterns across sub-regions to enhance information richness, and then performs local-global information fusion by balancing fine-grained details with coarse-grained context. Moreover, DEFNet exploits advanced uncertainty estimation technique inspired by evidential learning with the help of normal-inverse gamma distribution mixture. Extensive experiments on both synthetic and authentic distortion datasets demonstrate the effectiveness and robustness of the proposed framework. Additional evaluation and analysis are carried out to highlight its strong generalization capability and adaptability to previously unseen scenarios.

arXiv:2602.18437v1 Announce Type: cross Abstract: Generating with citations is crucial for trustworthy Large Language Models (LLMs), yet even advanced LLMs often produce mismatched or irrelevant citations. Existing methods over-optimize citation fidelity while overlooking relevance to the user query, which degrades answer quality and robustness in real-world settings with noisy or irrelevant retrieved content. Moreover, the prevailing single-pass paradigm struggles to deliver optimal answers in long-form generation that requiring multiple citations. To address these limitations, we propose FineRef, a framework based on Fine-grained error Reflection, which explicitly teaches the model to self-identify and correct two key citation errors, mismatch and irrelevance, on a per-citation basis. FineRef follows a two-stage training strategy. The first stage instills an "attempt-reflect-correct" behavioral pattern via supervised fine-tuning, using fine-grained and controllable reflection data constructed by specialized lightweight models. An online self-reflective bootstrapping strategy is designed to improve generalization by iteratively enriching training data with verified, self-improving examples. To further enhance the self-reflection and correction capability, the second stage applies process-level reinforcement learning with a multi-dimensional reward scheme that promotes reflection accuracy, answer quality, and correction gain. Experiments on the ALCE benchmark demonstrate that FineRef significantly improves both citation performance and answer accuracy. Our 7B model outperforms GPT-4 by up to 18% in Citation F1 and 4% in EM Recall, while also surpassing the state-of-the-art model across key evaluation metrics. FineRef also exhibits strong generalization and robustness in domain transfer settings and noisy retrieval scenarios.

arXiv:2602.18446v1 Announce Type: cross Abstract: Users increasingly rely on Large Language Models (LLMs) for Deep Research, using them to synthesize diverse sources into structured reports that support understanding and action. In this context, the practical reliability of such reports hinges on logical quality: whether the report's claims and arguments are explicitly supported and can be trusted as a basis for downstream use, rather than merely appearing fluent or informative. However, current evaluation frameworks largely overlook this requirement. To bridge this gap, we introduce ReportLogic, a benchmark that quantifies report-level logical quality through a reader-centric lens of auditability. Specifically, ReportLogic adopts a hierarchical taxonomy that evaluates whether readers can (1) trace an on-topic report structure with a unified analytical arc (Macro-Logic), (2) understand the progression with necessary context (Expositional-Logic), and (3) verify conclusions via explicit claim--support (Structural-Logic). Based on this taxonomy, we construct a human-annotated rubric-guided dataset and train an open-source LogicJudge for scalable evaluation. We further evaluate judge robustness via adversarial attacks, showing that off-the-shelf LLM judges are frequently influenced by superficial cues (e.g., verbosity), and reasoning modes can mask broken support relations. Overall, our results provide actionable guidance for building more robust logic evaluators and improving the logical reliability of LLM-generated reports.

arXiv:2602.18449v1 Announce Type: cross Abstract: We propose a diffusion-based framework for prompt optimization that leverages Diffusion Language Models (DLMs) to iteratively refine system prompts through masked denoising. By conditioning on interaction traces, including user queries, model responses, and optional feedback, our method enables flexible, span-level prompt updates without requiring gradient access or modifying the downstream language model. Across diverse benchmarks (e.g., $\tau$-bench, SST-2, SST-5), DLM-optimized prompts consistently improve the performance of a frozen target LLM (e.g., GPT-4o-mini). We further show that moderate diffusion step counts provide the best balance between refinement quality and stability. These results highlight diffusion-based prompt optimization as a general, model-agnostic, and scalable approach for enhancing LLM performance through iterative prompt refinement.

arXiv:2602.18472v1 Announce Type: cross Abstract: Physiologically Based Pharmacokinetic (PBPK) modeling is a cornerstone of model-informed drug development (MIDD), providing a mechanistic framework to predict drug absorption, distribution, metabolism, and excretion (ADME). Despite its utility, adoption is hindered by high computational costs for large-scale simulations, difficulty in parameter identification for complex biological systems, and uncertainty in interspecies extrapolation. In this work, we propose a unified Scientific Machine Learning (SciML) framework that bridges mechanistic rigor and data-driven flexibility. We introduce three contributions: (1) Foundation PBPK Transformers, which treat pharmacokinetic forecasting as a sequence modeling task; (2) Physiologically Constrained Diffusion Models (PCDM), a generative approach that uses a physics-informed loss to synthesize biologically compliant virtual patient populations; and (3) Neural Allometry, a hybrid architecture combining Graph Neural Networks (GNNs) with Neural ODEs to learn continuous cross-species scaling laws. Experiments on synthetic datasets show that the framework reduces physiological violation rates from 2.00% to 0.50% under constraints while offering a path to faster simulation.

arXiv:2602.18473v1 Announce Type: cross Abstract: Accurate analysis of medical time series (MedTS) data, such as electroencephalography (EEG) and electrocardiography (ECG), plays a pivotal role in healthcare applications, including the diagnosis of brain and heart diseases. MedTS data typically exhibit two critical patterns: temporal dependencies within individual channels and channel dependencies across multiple channels. While recent advances in deep learning have leveraged Transformer-based models to effectively capture temporal dependencies, they often struggle with modeling channel dependencies. This limitation stems from a structural mismatch: MedTS signals are inherently centralized, whereas the Transformer's attention mechanism is decentralized, making it less effective at capturing global synchronization and unified waveform patterns. To address this mismatch, we propose CoTAR (Core Token Aggregation-Redistribution), a centralized MLP-based module designed to replace decentralized attention. Instead of allowing all tokens to interact directly, as in standard attention, CoTAR introduces a global core token that serves as a proxy to facilitate inter-token interactions, thereby enforcing a centralized aggregation and redistribution strategy. This design not only better aligns with the centralized nature of MedTS signals but also reduces computational complexity from quadratic to linear. Experiments on five benchmarks validate the superiority of our method in both effectiveness and efficiency, achieving up to a 12.13% improvement on the APAVA dataset, while using only 33% of the memory and 20% of the inference time compared to the previous state of the art. Code and all training scripts are available at https://github.com/Levi-Ackman/TeCh.

arXiv:2602.18476v1 Announce Type: cross Abstract: Protein-ligand scoring is a central component of structure-based drug design, underpinning molecular docking, virtual screening, and pose optimization. Conventional physics-based energy functions are often computationally expensive, limiting their utility in large-scale screening. In contrast, deep learning-based scoring models offer improved computational efficiency but frequently suffer from limited cross-target generalization and poor interpretability, which restrict their practical applicability. Here we present BioLM-Score, a simple yet generalizable protein-ligand scoring model that couples geometric modeling with representation learning. Specifically, it employs modality-specific and structure-aware encoders for proteins and ligands, each augmented with biomolecular language models to enrich structural and chemical representations. Subsequently, these representations are integrated through a mixture density network to predict multimodal interatomic distance distributions, from which statistically grounded likelihood-based scores are derived. Evaluations on the CASF-2016 benchmark demonstrate that BioLM-Score achieves significant improvements across docking, scoring, ranking, and screening tasks. Moreover, the proposed scoring function serves as an effective optimization objective for guiding docking protocols and conformational search. In summary, BioLM-Score provides a principled and practical alternative to existing scoring functions, combining efficiency, generalization, and interpretability for structure-based drug discovery.

arXiv:2602.18495v1 Announce Type: cross Abstract: Recent advances in tabular in-context learning (ICL) show that a single pretrained model can adapt to new prediction tasks from a small set of labeled examples, avoiding per-task training and heavy tuning. However, many real-world tasks live in relational databases, where predictive signal is spread across multiple linked tables rather than a single flat table. We show that tabular ICL can be extended to relational prediction with a simple recipe: automatically featurize each target row using relational aggregations over its linked records, materialize the resulting augmented table, and run an off-the-shelf tabular foundation model on it. We package this approach in \textit{RDBLearn} (https://github.com/HKUSHXLab/rdblearn), an easy-to-use toolkit with a scikit-learn-style estimator interface that makes it straightforward to swap different tabular ICL backends; a complementary agent-specific interface is provided as well. Across a broad collection of RelBench and 4DBInfer datasets, RDBLearn is the best-performing foundation model approach we evaluate, at times even outperforming strong supervised baselines trained or fine-tuned on each dataset.

arXiv:2602.18521v1 Announce Type: cross Abstract: Continuous stress forecasting could potentially contribute to lifestyle interventions. This paper presents a novel, explainable, and individualized approach for stress prediction using physiological data from consumer-grade smartwatches. We develop a time series forecasting model that leverages multivariate features, including heart rate variability, activity patterns, and sleep metrics, to predict stress levels across 16 temporal horizons (History window: 3, 5, 7, 9 days; forecasting window: 1, 3, 5, 7 days). Our evaluation involves 16 participants monitored for 10-15 weeks. We evaluate our approach across 16 participants, comparing against state-of-the-art time series models (Informer, TimesNet, PatchTST) and traditional baselines (CNN, LSTM, CNN-LSTM) across multiple temporal horizons. Our model achieved performance with an MSE of 0.053, MAE of 0.190, and RMSE of 0.226 in optimal settings (5-day input, 1-day prediction). A comparison with the baseline models shows that our model outperforms TimesNet, PatchTST, CNN-LSTM, LSTM, and CNN under all conditions, representing improvements of 36.9%, 25.5%, and 21.5% over the best baseline. According to the explanability analysis, sleep metrics are the most dominant and consistent stress predictors (importance: 1.1, consistency: 0.9-1.0), while activity features exhibit high inter-participant variability (0.1-0.2). Most notably, the model captures individual-specific patterns where identical features can have opposing effects across users, validating its personalization capabilities. These findings establish that consumer wearables, combined with adaptive and interpretable deep learning, can deliver relevant stress assessment adapted to individual physiological responses, providing a foundation for scalable, continuous, explainable mental health monitoring in real-world settings.

arXiv:2602.18527v1 Announce Type: cross Abstract: Current audio-visual large language models (AV-LLMs) are predominantly restricted to 2D perception, relying on RGB video and monaural audio. This design choice introduces a fundamental dimensionality mismatch that precludes reliable source localization and spatial reasoning in complex 3D environments. We address this limitation by presenting JAEGER, a framework that extends AV-LLMs to 3D space, to enable joint spatial grounding and reasoning through the integration of RGB-D observations and multi-channel first-order ambisonics. A core contribution of our work is the neural intensity vector (Neural IV), a learned spatial audio representation that encodes robust directional cues to enhance direction-of-arrival estimation, even in adverse acoustic scenarios with overlapping sources. To facilitate large-scale training and systematic evaluation, we propose SpatialSceneQA, a benchmark of 61k instruction-tuning samples curated from simulated physical environments. Extensive experiments demonstrate that our approach consistently surpasses 2D-centric baselines across diverse spatial perception and reasoning tasks, underscoring the necessity of explicit 3D modelling for advancing AI in physical environments. Our source code, pre-trained model checkpoints and datasets will be released upon acceptance.