Graph Diffusion Residuals for Control-Function Instrumental Variables

Control-function instrumental variable estimators need a first-stage residual, not merely a first-stage prediction. High-capacity first stages can interpolate treatment and leave too little residual information for the outcome equation. We study Adaptive Anisotropic Instrumental Heat Flow (A-IHF), a deterministic graph-diffusion residual extractor for flexible control functions. A-IHF treats treatment as a signal on a graph of first-stage features, uses pilot diffusion to detect large treatment jumps, attenuates conductance across those jumps, and computes the generated control with a sparse graph resolvent. Its observational selection rule uses only $(Z,X)$, combining graph generalized cross-validation, roughness, residualized-treatment relevance, and graph-admissibility filtering. The analysis decomposes error into structural leakage, residual attenuation, and residualized treatment variation, yielding finite-sample bounds, graph-admissibility rates under latent piecewise-smooth geometry, and finite-path selection calibration. Across 54 synthetic benchmark cells with tuned graph, kernel, tree, boosting, series, and neural control-function baselines, guarded observational A-IHF has the lowest average structural-response MSE; the A-IHF family beats the best non-A-IHF baseline in 32 cells. Performance is strongest when the graph captures piecewise-smooth first-stage structure.

SocraticPO: Policy Optimization via Interactive Guidance

Reinforcement learning (RL) for large language models usually supervises reasoning with scalar outcome rewards, such as binary correctness. Such rewards provide an optimization direction but rarely explain how a model should revise its mistaken reasoning, which can encourage shortcut learning and brittle policies. We propose \textbf{SocraticPO} (Socratic Policy Optimization), a policy-optimization framework that augments RL rollouts with Socratic-style natural-language guidance. During rollout, the student first answers independently; if the answer is incorrect, a teacher diagnoses the attempt and provides concise corrective guidance, after which the student continues under the expanded context. Crucially, this guidance is paired with reward decay: correct answers obtained after teacher intervention only receive decayed rewards, preventing the policy from treating teacher help as a free path to reward. Since SocraticPO only modifies the rollout process while leaving the standard expected-reward objective intact, it can be plugged into existing policy-gradient backends such as Reinforce++. Moreover, because the teacher provides only text-level guidance, SocraticPO can leverage stronger black-box teacher models without requiring access to logits or distribution matching. On undergraduate-level scientific reasoning benchmarks from SciKnowEval, SocraticPO improves over strong RL and self-distillation baselines. Ablations show that both targeted guidance and reward decay are necessary, with reward decay mitigating reliance on assisted correction.

Entropy-KL Divergence-based Token Masking: A Novel Approach for Selective Fine-tuning of Large Language Models

Supervised fine-tuning (SFT) followed by reinforcement learning (RL) has become a standard post-training paradigm for large language models. This paradigm provides a cold-start for RL exploration, avoiding the inefficiency of pure RL where on-policy sampling yields insufficient positive samples. However, in practice, existing approaches often use a small amount of data for SFT initialization compared to the RL phase, which can cause the model to fit the limited samples and shift away from its pre-trained distribution. This distribution shift impedes the model's ability to effectively explore during subsequent RL training. To address this challenge, we propose that in low-data regimes, SFT should prioritize activating task-relevant capabilities rather than memorizing specific content. Along this line, we propose EKSFT (Entropy-KL Selective Fine-Tuning), which selectively masks tokens that exhibit either high entropy or high KL divergence from a reference model. By excluding these high-uncertainty, distribution-shifting tokens from imitation, EKSFT injects task-specific knowledge while preserving the integrity of the model's pre-trained distribution. Empirical evaluations on mathematical reasoning benchmarks demonstrate that EKSFT consistently outperforms standard SFT. Further RL fine-tuning from the EKSFT model yields consistently better post-RL performance, indicating improved exploration for the RL stage. Our codes and datasets are available at https://github.com/MINE-USTC/EKSFT.

MACReD: A Multi-Agent Collaborative Reasoning Framework for Reaction Diagram Parsing

Parsing chemical reaction diagrams from scientific literature is challenging due to heterogeneous layouts, intertwined visual elements, and the difficulty of integrating recognition and reasoning. Existing vision-language models advance multimodal understanding but still fail on complex diagrams, struggling to maintain spatial coherence and to integrate multidimensional information during reasoning. To address these issues, we propose MACReD, a hierarchical multi-agent framework that coordinates specialized agents for molecular perception, arrow understanding, text extraction, and reaction reconstruction within a unified VLM-guided architecture. The planning and perception layers use flexible, fine-grained detection to handle visual complexity, while the reasoning layer uses a multigraph fusion mechanism to integrate heterogeneous cues and enforce chemically consistent global reasoning. Experiments on the RxnScribe benchmark show that MACReD achieves state-of-the-art performance, with F1 scores of 75.2% and 84.6% under hard and soft match criteria, outperforming the RxnScribe baseline, which obtains 69.1% and 80.0%, respectively. These results demonstrate the robustness of MACReD across diverse diagram layouts, including multi-step and tree-structured reactions.

Defending LLM-based Multi-Agent Systems Against Cooperative Attacks with Sentence-Level Rectification

Recent years have witnessed the rapid development of Large Language Model-based Multi-Agent Systems (MAS), which excel at collaborative decision-making and complex problem-solving. However, malicious agents in MAS may inject misinformation to mislead other agents and disrupt system performance, giving rise to a new research direction that focuses on attack mechanisms and defense strategies in MAS. Prior studies largely assume malicious agents act independently and investigate the corresponding defense strategies. However, we argue that malicious agents may exhibit collaborative behaviors, enabling more effective attacks through internal information exchange. In this paper, we propose an adaptive cooperative attack framework, where malicious agents autonomously coordinate and dynamically adjust their attack strategies through multi-round interactions. Furthermore, we introduce Sentence-Level Trustworthiness Analysis and Rectification (STAR), a defense framework that identifies and rectifies misleading information at the sentence level within agent communications. Our experiments show that cooperative attacks lead to a significantly larger degradation in task success rate than independent attacks, resulting in a relative drop of 5.34\%. Meanwhile, STAR effectively mitigates both cooperative and independent threats and improves task success rate by an average of 36.76\%. The code is available at https://github.com/smoooom/STAR.

What Really Improves Mathematical Reasoning: Structured Reasoning Signals Beyond Pure Code

Code has become a standard component of modern foundation language model (LM) training, yet its role beyond programming remains unclear. We revisit the claim that code improves reasoning through controlled pretraining experiments on a 10T-token corpus with fine-grained domain separation. Our findings are threefold. First, when code is restricted to standalone executable programs and Code-NL data are controlled for, code substantially improves programming ability but does not act as a general reasoning enhancer; instead, it competes with knowledge-intensive tasks, especially complex mathematical reasoning. Second, the reasoning gains often attributed to code are better explained by cross-domain structured reasoning traces, such as code-text and math-text mixtures, rather than by executable code alone. Third, increasing the density of structured math-domain samples within a fixed math budget yields substantial gains on difficult mathematical reasoning while largely preserving programming performance, suggesting that cognitive scaffolds offer a targeted way to mitigate cross-domain trade-offs. Finally, routing analyses show that data-composition effects are reflected in expert-activation patterns, providing mechanism-level evidence for competitive and synergistic interactions across domains. Our results clarify which data characteristics transfer across capability dimensions and point to more precise data-centric optimization strategies.

More Edits, More Stable: Understanding the Lifelong Normalization in Sequential Model Editing

Lifelong Model Editing aims to continuously update evolving facts in Large Language Models while preserving unrelated knowledge and general capabilities, yet it remains plagued by catastrophic forgetting and model collapse. Empirically, we find that recent editors resilient over long horizons share the same core strategy: Lifelong Normalization (LN), which normalizes value gradients using running statistics. Removing LN causes immediate performance collapse, and we observe a counter-intuitive positive cumulative effect where early edits can promote the success of future edits. Yet the mechanism of LN remains a "black box", leaving its precise role in lifelong stability poorly understood. In this work, we provide the first theoretical account of LN in the lifelong regime. Our analysis reveals a self-reinforcing stability loop and proves that, when combined with ridge-regularized regression, LN yields parameter updates with asymptotic orthogonality and bounded norms, directly mitigating forgetting and systemic collapse. Based on these insights, we derive StableEdit, which strengthens this stability loop via an explicit warm-up stage and full whitening, improving long-horizon stability at minimal overhead. Extensive experiments validate our theory and demonstrate competitive performance. Our code is available at https://github.com/MINE-USTC/StableEdit.

GeoDecider: A Coarse-to-Fine Agentic Workflow for Explainable Lithology Classification

Lithology classification aims to infer subsurface rock types from well-logging signals, supporting downstream applications like reservoir characterization. Despite substantial progress, most existing methods still treat lithology classification as a single-pass classification task. In contrast, practical experts incorporate geological principles, external knowledge, and tool-use capabilities to perform accurate classification. In this work, we propose GeoDecider, a coarse-to-fine agentic workflow that enables accurate and explainable lithology classification through training-free use of large language models (LLMs). GeoDecider reformulates lithology classification as an expert-like structured process and organizes it into a multi-stage workflow involving coarse-to-fine reasoning. Specifically, GeoDecider includes the following stages: (1) base classifier-guided coarse classification, which uses a pre-trained classifier to provide a rough reference for downstream tasks, thus reducing the overall cost of downstream reasoning, (2) tool-augmented reasoning, which utilizes several tools such as contextual analysis and neighbor retrieval to achieve finer and more precise classifications, (3) geological refinement, which post-processes the final results to enforce geological consistency. Experiments on four benchmarks show that GeoDecider outperforms representative baselines. Further analysis demonstrates that the proposed framework produces geologically interpretable predictions while achieving a better trade-off between classification performance and inference efficiency.

BioMiner: A Multi-modal System for Automated Mining of Protein-Ligand Bioactivity Data from Literature

Protein-ligand bioactivity data published in the literature are essential for drug discovery, yet manual curation struggles to keep pace with rapidly growing literature. Automated bioactivity extraction remains challenging because it requires not only interpreting biochemical semantics distributed across text, tables, and figures, but also reconstructing chemically exact ligand structures (e.g., Markush structures). To address this bottleneck, we introduce BioMiner, a multi-modal extraction framework that explicitly separates bioactivity semantic interpretation from ligand structure construction. Within BioMiner, bioactivity semantics are inferred through direct reasoning, while chemical structures are resolved via a chemical-structure-grounded visual semantic reasoning paradigm, in which multi-modal large language models operate on chemically grounded visual representations to infer inter-structure relationships, and exact molecular construction is delegated to domain chemistry tools. For rigorous evaluation and method development, we further establish BioVista, a comprehensive benchmark comprising 16,457 bioactivity entries curated from 500 publications. BioMiner validates its extraction ability and provides a quantitative baseline, achieving an F1 score of 0.32 for bioactivity triplets. BioMiner's practical utility is demonstrated via three applications: (1) extracting 82,262 data from 11,683 papers to build a pre-training database that improves downstream models performance by 3.9%; (2) enabling a human-in-the-loop workflow that doubles the number of high-quality NLRP3 bioactivity data, helping 38.6% improvement over 28 QSAR models and identification of 16 hit candidates with novel scaffolds; and (3) accelerating protein-ligand complex bioactivity annotation, achieving a 5.59-fold speed increase and 5.75% accuracy improvement over manual workflows in PoseBusters dataset.

Memory-Augmented LLM-based Multi-Agent System for Automated Feature Generation on Tabular Data

Automated feature generation extracts informative features from raw tabular data without manual intervention and is crucial for accurate, generalizable machine learning. Traditional methods rely on predefined operator libraries and cannot leverage task semantics, limiting their ability to produce diverse, high-value features for complex tasks. Recent Large Language Model (LLM)-based approaches introduce richer semantic signals, but still suffer from a restricted feature space due to fixed generation patterns and from the absence of feedback from the learning objective. To address these challenges, we propose a Memory-Augmented LLM-based Multi-Agent System (\textbf{MALMAS}) for automated feature generation. MALMAS decomposes the generation process into agents with distinct responsibilities, and a Router Agent activates an appropriate subset of agents per iteration, further broadening exploration of the feature space. We further integrate a memory module comprising procedural memory, feedback memory, and conceptual memory, enabling iterative refinement that adaptively guides subsequent feature generation and improves feature quality and diversity. Extensive experiments on multiple public datasets against state-of-the-art baselines demonstrate the effectiveness of our approach. The code is available at https://github.com/fxdong24/MALMAS