OOD-GraphLLM: Graph Large Language Model for Out-of-Distribution Generalized Drug Synergy Prediction

Drug synergy prediction (DSP) aims to identify efficacious drug combinations under various cellular contexts with different targets. However, the continual emergence of novel compounds results in variations in molecular scaffolds and sizes, causing drug synergy data to exhibit out-of-distribution (O.O.D.) shifts with respect to topological structure. Existing works rely on in-distribution (I.D.) assumption, failing to handle the O.O.D. shifts. To solve this problem, we study out-of-distribution generalized drug synergy prediction through a graph large language model for the first time. Nevertheless, O.O.D. generalized DSP is highly non-trivial, posing several challenges: i) how to discover structurally relevant and irrelevant molecular representations with respect to cell targets; ii) how to find the optimal graph neural architectures that accurately calculate molecular representations; and iii) how to jointly leverage molecular structural and semantic information in LLMs. To address these challenges, we propose OOD-GraphLLM, a novel graphLLM framework which is able to accurately predict drug synergy under O.O.D. settings via jointly optimizing molecular graph representation and biomedical semantic language representations in a unified manner. Furthermore, we finetune DrugSyn-LLM, a biomedical LLM, and employ a retrieval-augmented biomedical instruction tuning strategy to align molecular topological information and molecular semantic information with language-based reasoning for O.O.D. generalized DSP. Both the source code (https://github.com/EkkoXiao/Bio-GraphLLM) and released model (https://mn.cs.tsinghua.edu.cn/bio-graphllm/) are publicly available, where users are allowed to download model resources and interactively use the system through a web interface.

SAFE-Diff: Scale-Aware Attention and Feature-Dispersive Diffusion with Uncertainty Estimation for Contrast-Enhanced Breast MRI Synthesis

Synthesizing high fidelity contrast enhanced MRI is clinically valuable for safer and more efficient breast cancer screening, yet remains challenging due to complex lesion textures and heterogeneous enhancement patterns.

On-Policy Adversarial Flow Distillation for Autoregressive Video Generation

Autoregressive video generators are attractive for streaming, long-horizon, and interactive applications, but distilling strong black-box teachers into causal students remains difficult. The student must learn under its own rollout distribution, whereas practical teachers may expose only prompt-conditioned completed videos and may differ in architecture, capacity, temporal design, and sampling schedule. This interface makes supervised fine-tuning off-policy, score-based distillation inapplicable, and direct adversarial imitation too sparse for denoising-time credit assignment. We propose Adversarial Flow Distillation (AFD), an on-policy framework for heterogeneous black-box video distillation. AFD queries the teacher and rolls out the current student on the same prompts, trains a prompt-paired Bradley-Terry discriminator to estimate clean-sample teacher-student discrepancy, and converts the resulting on-policy advantage into forward-process flow-matching updates on the student's own noised states. Thus, AFD provides dense velocity-field supervision while requiring no teacher scores, latents, denoising trajectories, step alignment, or reverse-chain reinforcement learning. Experiments across two causal AR student families show that AFD consistently improves motion- and physics-sensitive generation while preserving general video quality, and ablations validate the importance of adaptive on-policy feedback and forward-process credit assignment. The method requires only clean teacher videos and student rollouts, providing a practical route for distilling proprietary or heterogeneous video generators into efficient autoregressive students.

Detecting Unfaithful Chain-of-Thought via Circuit-Guided Internal-External Discrepancy

Chain-of-thought (CoT) reasoning improves the problem-solving ability of large language models (LLMs), but generated reasoning traces may not faithfully reflect the model's actual decision process. Existing CoT unfaithfulness detectors mainly rely on external signals from generated rationales, such as textual plausibility or answer consistency, while overlooking evidence from the model's internal computation. Although recent circuit tracing methods provide a way to obtain model-internal evidence by tracing how information flows through model components during reasoning, constructing full reasoning circuits for long CoTs is costly and difficult to scale. To address these challenges, we propose Circuit-guided Internal-External Discrepancy Scorer (CIE-Scorer), a framework for instance-level CoT unfaithfulness detection. The key idea is that faithful reasoning traces should align with the model's computational process, whereas unfaithful traces may diverge from it. CIE-Scorer efficiently traces compact sentence-level circuits from informative reasoning tokens, constructs internal and external reasoning graphs, and measures their discrepancy using Fused Gromov--Wasserstein distance. Experiments on four datasets from FaithCoT-Bench show that CIE-Scorer achieves state-of-the-art performance while reducing the cost of circuit construction, demonstrating the effectiveness of combining mechanistic interpretability signals with external reasoning traces for CoT unfaithfulness detection.

SkillEvolBench: Benchmarking the Evolution from Episodic Experience to Procedural Skills

Large language model (LLM) agents accumulate rich episodic trajectories while solving real-world tasks, but it remains unclear whether such experience can be distilled into reusable procedural skills. We introduce SkillEvolBench, a diagnostic benchmark for evaluating this step from experience reuse to skill formation. It contains 180 tasks across six real-world agent environments, organized into role-conditioned task families with shared latent procedures. Agents learn from acquisition tasks, update an external skill library using compacted trajectories and verifier feedback, and then face frozen deployment tasks testing context shift, adversarial shortcuts, and composition. By comparing self-generated and curated-start skill evolution against no-skill and raw-trajectory controls, SkillEvolBench separates procedural abstraction from base capability, curated prior knowledge, and direct reuse of episodic traces. Across ten model configurations and three agent harnesses, we find that current agents often adapt locally but rarely form robust reusable skills. Skill-based conditions can improve acquisition or replay, and individual models sometimes gain on specific deployment axes, but these gains are unstable under frozen deployment. Raw-trajectory reuse frequently outperforms distilled skills, suggesting that current abstraction procedures discard contextual and procedural cues that remain useful for future tasks. Capacity and cost analyses further show that writing more skills or larger Tier-3 resource libraries is not sufficient: additional updates can improve coverage while introducing episode-specific drift and procedural clutter. These findings position SkillEvolBench as a testbed for measuring when one-off experience becomes durable procedural knowledge rather than task-local memory.

ECPO: Evidence-Coupled Policy Optimization for Evidence-Certified Candidate Ranking

Ranking systems used in decision-support settings should not only order candidates but also expose evidence that can be independently checked. We study evidence-certified candidate ranking: given an intent_id, a predefined plan skeleton, a window-local candidate roster, and text-derived candidate trajectories with span provenance, a system must output a Top-K list together with doc_id:span evidence certificates whose cited spans are sufficient to recover the decision. We instantiate this task on MAVEN-ERE and RAMS with fixed upstream extraction, window-local randomized candidate identifiers, skeleton-aligned trajectory supervision, hard negatives, and audit references. We introduce Evidence-Coupled Policy Optimization (ECPO), a listwise policy-optimization objective whose action is the joint object of ranking and evidence certificate. ECPO first learns an interpretable trajectory reward from skeleton alignment, argument consistency, and optional graph features; it then optimizes a constrained policy with three coupled rewards: listwise ranking utility, span-level certificate validity, and an evidence-cycle reward computed by a label-free deterministic verifier that reconstructs candidate support from claim-stripped cited spans. This reframes the goal from maximizing ordinary NDCG alone to maximizing CertNDCG and decision-evidence coupling. The evaluation compares ECPO against zero-shot, SFT, and GRPO policies, RM-only scoring with deterministic evidence attachment, grammar/JSON-constrained decoding, validator retry, best-of-N RM selection, and post-hoc evidence rationalization under closed-roster, predicted-roster, and hybrid-roster settings.

SAVER: Selective As-Needed Vision Evidence for Multimodal Information Extraction

Multimodal IE in social media is difficult because a post may attach multiple images that are weakly related, redundant, or even misleading with respect to the text. In this setting, always-on multimodal fusion wastes computation and can amplify spurious visual cues. The core challenge is to decide, for each candidate span or marked entity pair, whether vision should be consulted at all and, if so, which small subset of images provides trustworthy evidence. We propose SAVER, a selective vision-as-needed framework for multimodal named entity recognition and multimodal relation extraction. SAVER uses a Conformal Groundability Gate (CGG) to estimate span-level visual groundability in MNER, derive pair-level activation in MRE from the two marked entities, and calibrate the activation threshold on a held-out split via a conformal-style procedure with Clopper--Pearson upper bounds. When activated, a submodular relevance--diversity selector chooses a compact evidence subset across images, which is then aggregated by a Set Transformer. An energy-inspired joint scoring head combines text, optional visual evidence, text--image consistency, and sparse routing for entity typing or relation classification. Experiments show that SAVER consistently improves F1 over strong text-only and always-on multimodal baselines, while reducing AURC, increasing activation coverage at a fixed risk level, and lowering FLOPs and P90 latency.

AGPO: Adaptive Group Policy Optimization with Dual Statistical Feedback

Reinforcement learning improves LLM reasoning, but PPO/GRPO typically use fixed clipping and decoding temperature, which makes training brittle and tuning-heavy. We propose Adaptive Group Policy Optimization (AGPO), a critic-free refinement of GRPO that uses group-level statistics to control both update magnitude and exploration. AGPO uses a shared probe-derived statistical state to drive two controllers: (i) adaptive clipping, which sets the trust-region size from reward dispersion and skewness, probe vote entropy, policy entropy, and step-wise KL drift; and (ii) bidirectional adaptive temperature sampling, which heats or cools decoding around a base temperature according to centered uncertainty relative to a running baseline. On nine English and Chinese math/STEM benchmarks, Qwen2.5-14B trained with AGPO outperforms PPO/GRPO under the same generated-token budget, reaching 67.3% on GSM8K and 40.5% on MATH. Gains transfer to Llama-3-8B and Gemma-2-9B, and ablations confirm both modules are complementary. Our implementation is publicly available at https://github.com/wandugu/paper_agpo.

Towards Context-Invariant Safety Alignment for Large Language Models

Preference-based post-training aligns LLMs with human intent, yet safety behavior often remains brittle. A model may refuse a harmful request in a standard prompt but comply when the same intent is wrapped in adversarial wording. We suggest that robust safety requires context-invariant alignment, where behavior depends on the underlying intent rather than surface form. Enforcing invariance is difficult in alignment because not all training signals are equally trustworthy; for some prompt variants we can obtain verifiable feedback (e.g., multiple-choice), while for open-ended variants we typically rely on noisy, gameable reward proxies (e.g., learned judges). As a result, standard symmetric invariance regularizers can reduce cross-context discrepancies by lowering performance on reliable variants instead of improving open-ended robustness. To address this, we introduce Anchor Invariance Regularization (AIR), which treats verifiable prompts as anchors and uses a stop-gradient target to regularize only the open-ended variants toward the anchor performance. AIR is implemented as a plug-in auxiliary loss and combined with group-based preference optimization (e.g., GRPO) via heterogeneous prompt grouping. Across Safety, Moral Reasoning, and Math, AIR improves context invariance, boosting in-distribution group accuracy by 12.71% and out-of-distribution consistency by 33.49%, making safety constraints robust to adversarial framings.

Atoms of Thought: Universal EEG Representation Learning with Microstates

Learning universal representations from electroencephalogram (EEG) signals is a cutting-edge approach in the field of neuroinformatics and brain-computer interfaces (BCIs). Conventionally, EEG is treated as a multivariate temporal signal, where time- or frequency-domain features are extracted for representation learning. This paper investigates a simple yet effective EEG representation, i.e., microstates. Microstates represent the building blocks of brain activity patterns at a microscopic time scale. We build a universal microstate tokenizer from a large medical EEG dataset by clustering continuous EEG signals into sequences of discrete microstates. The microstate tokenizer is then adopted universally across a series of downstream tasks, including sleep staging, emotion recognition, and motor imagery classification. Experimental results show that EEG representation learning with microstates outperforms traditional time-domain and frequency-domain features under different models and across different tasks. Further analysis shows that microstates offer greater interpretability and scalability, thereby opening up applications in both cognitive neuroscience and clinical research.