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cs.LG2026
S3C-LLM: Skill-Code Guided Agentic Language Models for Spectrum-to-Structure Elucidation
Xuanle Zhao, Xinyuan Cai, Xiang Cheng +1
Spectroscopic structure elucidation is central to molecular analysis, but recent Large Language Model (LLM)-based methods mostly formulate it as direct spectrum-to-SMILES generatio…
cs.LG2023★ 2 cited
Enhancing Solutions for Complex PDEs: Introducing Complementary Convolution and Equivariant Attention in Fourier Neural Operators
Xuanle Zhao, Yue Sun, Tielin Zhang +1
Neural operators improve conventional neural networks by expanding their capabilities of functional mappings between different function spaces to solve partial differential equatio…