Knowledge-Driven Scientific Large Language Models

Abstract

My research in AI for Science revolves around the development and application of knowledge graphs (KG) and large language models (LLM) for scientific discovery. Leveraging my expertise in AI, I extensively explore disciplinary knowledge, construct knowledge graphs, and develop pre-trained large models for chemical and biological research. The overarching goal is to better capture correlations and patterns between substances by incorporating explicit and implicit knowledge bases into pre-trained large models. I have published in top AI journals and conferences, including Nature Machine Intelligence, NeurIPS, AAAI, ICML, and ICLR, and received several prestigious awards such as the Excellent Prize of the Tencent Rhino-Bird Project (2024) and the Great Britain-China Educational Trust (2020). My research has garnered wide recognition, with over 6000 Google Scholar citations and GitHub repositories of my work on knowledge graph-enhanced molecular and protein learning receiving hundreds of stars. By pushing the boundaries of AI for scientific discovery, I aspire to contribute to significant advancements that address pressing global challenges. I am eager to present and share my work at AAAI’s New Faculty Highlight program and engage with fellow researchers at the forefront of AI.