22 papers
Chemical Chain-of-Thought Functions as a Hallucination-Prone Molecular Scratchpad
Jiatong Li, Yuxuan Ren, Weida Wang +2
Chemical reasoning language models are expected to derive molecular answers through faithful chain-of-thought (CoT). However, across four reasoning model families and twelve chemis…
AMRM-Pure: Semantic-Preserving Adversarial Purification
Zhihao Dou, Zhiqiang Gao, Dongfei Cui +6
Adversarial purification is a defense technique that employs generative models to remove adversarial perturbations. Current methods often rely on powerful generators, typically dif…
Do LLMs Truly Generalize in the Molecular Domain? A Perturbation-Based Analysis
Jiatong Li, Weida Wang, Changmeng Zheng +4
Large Language Models (LLMs) have recently shown promise in molecular discovery, yet a gap remains between their probabilistic nature over discrete sequential tokens and the rigid…
Deep Research in Physical Sciences: A Multi-Agent Framework and Comprehensive Benchmark
Yigeng Jiang, Tengchao Yang, Taoyong Cui +25
Deep research agents are Large Language Model (LLM)-based systems designed for autonomous, multi-step scientific reasoning, and they hold immense potential for accelerating researc…
OmniMatBench: A Human-Calibrated Multimodal Reasoning Benchmark Across 19 Materials Science Subfields
Wanhao Liu, Jiaqing Xie, Qian Tan +10
As multimodal language models play an increasingly important role in scientific research, materials science offers a critical testbed due to its interdisciplinary, multimodal, and…
Plan Then Action:High-Level Planning Guidance Reinforcement Learning for LLM Reasoning
Zhihao Dou, Qinjian Zhao, Zhongwei Wan +10
Large language models (LLMs) demonstrate strong reasoning abilities via Chain-of-Thought (CoT), but their token-level generation encourages local decisions and lacks global plannin…