4 papers
NMRPeak: a ready-to-use intelligent system for molecular structure elucidation enabled by synergistic cross-modal learning
Fanjie Xu, Jinyuan Hu, Jingxiang Zou +8
One-dimensional nuclear magnetic resonance (NMR) spectroscopy is essential for molecular structure elucidation in organic synthesis, drug discovery, natural product characterizatio…
ReGuLaR: Variational Latent Reasoning Guided by Rendered Chain-of-Thought
Fanmeng Wang, Haotian Liu, Guojiang Zhao +2
While Chain-of-Thought (CoT) significantly enhances the performance of Large Language Models (LLMs), explicit reasoning chains introduce substantial computational redundancy. Recen…
Innovator-VL: A Multimodal Large Language Model for Scientific Discovery
Zichen Wen, Boxue Yang, Shuang Chen +30
We present Innovator-VL, a scientific multimodal large language model designed to advance understanding and reasoning across diverse scientific domains while maintaining excellent…
Inverse Materials Design by Large Language Model-Assisted Generative Framework
Yun Hao, Che Fan, Beilin Ye +7
Deep generative models hold great promise for inverse materials design, yet their efficiency and accuracy remain constrained by data scarcity and model architecture. Here, we intro…