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cs.CL2026
How Creative Are Large Language Models in Generating Molecules?
Wen Tao, Yiwei Wang, Peng Zhou +6
Molecule generation requires satisfying multiple chemical and biological constraints while searching a large and structured chemical space. This makes it a non-binary problem, wher…
cs.CL2026
Mathematical Reasoning Enhanced LLM for Formula Derivation: A Case Study on Fiber NLI Modellin
Yao Zhang, Yuchen Song, Xiao Luo +4
Recent advances in large language models (LLMs) have demonstrated strong capabilities in code generation and text synthesis, yet their potential for symbolic physical reasoning in…
cs.CL2025★ 2 cited
Towards Agentic RAG with Deep Reasoning: A Survey of RAG-Reasoning Systems in LLMs
Yangning Li, Weizhi Zhang, Yuyao Yang +17
Retrieval-Augmented Generation (RAG) lifts the factuality of Large Language Models (LLMs) by injecting external knowledge, yet it falls short on problems that demand multi-step inf…