MolCA: Molecular graph-language modeling with cross-modal projector and uni-modal adapter

• Main Authors: LIU, Zhiyuan, LI, Sihang, LUO, Yanchen, FEI, Hao, CAO, Yixin, KAWAGUCHI, Kenji, WANG, Xiang, CHUA, Tat-Seng
• 格式: text
• 語言: English
• 出版: Institutional Knowledge at Singapore Management University 2023
• 主題: Databases and Information Systems; Programming Languages and Compilers
• 在線閱讀: https://ink.library.smu.edu.sg/sis_research/8394; https://ink.library.smu.edu.sg/context/sis_research/article/9397/viewcontent/2310.12798.pdf

Language Models (LMs) have demonstrated impressive molecule understanding ability on various 1D text-related tasks. However, they inherently lack 2D graph perception — a critical ability of human professionals in comprehending molecules’ topological structures. To bridge this gap, we propose MolCA:...