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Beyond Binary Edits Robust Multimodal Knowledge Editing with Adversarial Subspace Alignment Agentic Proving for Program Verification MemAudit: Post-hoc Auditing of Poisoned Agent Memory via Causal Attribution and Structural Anomaly Detection OpenSkillEval: Automatically Auditing the Open Skill Ecosystem for LLM Agents One Policy, Infinite NPCs: Persona-Traceable Shared RL Policies for Scalable Game Agents How Human-Like Are Large Language Models? A Register-Aware Linguistic Evaluation Framework Benchmarking Google Embeddings 2 against Open-Source Models for Multilingual Dense Retrieval and RAG Systems Structure-Guided Entity Resolution: Fine-Tuning LLMs for Robust Name Matching in Complex Linguistic Contexts Solving the Aircraft Disassembly Scheduling Problem Co-ReAct: Rubrics as Step-Level Collaborators for ReAct Agents CP or DP? Why Not Both: A Case Study in the Partial Shop Scheduling Problem Asking For An Old Friend: Diagnosing and Mitigating Temporal Failure Modes in LLM-based Statutory Question Answering EDGE-OPD: Internalizing Privileged Context with Evidence Guided On-Policy Distillation ARES: Automated Rubric Synthesis for Scalable LLM Reinforcement Learning SSDAU: Structured Semantic Data Augmentation for Joint Entity and Relation Extraction Naturalistic measure of social norms alignment Articulatory strategy as a source of variation in acoustic vowel dynamics When Planning Fails Despite Correct Execution: On Epistemic Calibration for LLM-Based Multi-Agent Systems EquiSumm : A Gender Bias-Aware Framework for Inclusive Tweet Summarization Metacognition as Reward: Reinforcing LLM Reasoning via Knowledge and Regulation Signals From Correctness to Preference: A Framework for Personalized Agentic Reinforcement Learning Cultural Adaptation in Large Language Models for Political Discourse Emotion Recognition in Sign Language Conversation ClimateChat-300K: A Multi-Modal Facebook Dataset for Understanding Diverse Perspectives in Climate Communication AraHopeCorpus: Annotation Guidelines and Dataset for Hope Speech in Arabic Social Media Crisis Discourse Human-in-the-Loop Multi-Agent Ventilator Decision Support with Contextual Bandit Preference Learning Convergence Without Understanding: When Language Models Agree on Representations but Disagree on Reasoning DART: Semantic Recoverability for Structured Tool Agents Ontological Knowledge Blocks: Executable Compliance and Profile-Based Validation for Trustworthy AI Systems Parallel Context Compaction for Long-Horizon LLM Agent Serving
EvoMD-LLM: Learning the Language of Species Evolution in ...
Zhichen Tang, Zhengzheng Dang, Yulin Chen, Jixin Wu, Haiwen Li, · 2026-05-28 · via cs updates on arXiv.org

While large language models (LLMs) excel at static scientific reasoning, they struggle to model the temporal structure of dynamic physical processes. We present EvoMD-LLM (Evolutionary Molecular Dynamics Large Language Model), a framework that reformulates species-level molecular dynamics as a symbolic temporal language modeling problem. Reactive MD trajectories are discretized into sequences of molecular events, where each token represents a chemical species augmented with its persistence duration, enabling standard autoregressive LLMs to learn compositional evolution over time through efficient fine-tuning. A key component of EvoMD-LLM is temporal scaffolding, which treats event duration as an explicit linguistic token and serves as a structured inductive bias, significantly reducing invalid or hallucinated molecular outputs compared to conventional sequence modeling approaches. We evaluate EvoMD-LLM on multiple temporal prediction tasks, achieving up to 66.14% accuracy and consistently outperforming sequential neural networks and language-based baselines. Beyond quantitative improvements, we qualitatively observe that the model is capable of generating interpretations for its own predictions by incorporating relevant chemical knowledge, even though it was not explicitly supervised with paired trajectory-explanation data. These results demonstrate that symbolic temporal language modeling provides an effective framework for grounding LLMs in dynamic physical simulations.