Namkyeong Lee

Ph.D. student in Machine Learning

namkyeonglee.jpg

''Hi, my name is Louis, fifth year Bichon Frise! I'm the first dog of AFGRL.''

Hello, I’m Namkyeong Lee. I’m a Ph.D. candidate in the Industrial and Systems Department at KAIST, where I am fortunate to be advised by Prof. Chanyoung Park. I’m actively on research with my best colleagues at Data Science and Artificial Intelligence Lab.

During my doctoral studies, I closely worked with the Korea Research Institute of Chemical Technology (KRICT), collaborating on various projects in the field. Additionally, I worked as a research intern at Naver Corporation and Genentech, and also held the position of visiting scholar at the University of Illinois at Urbana-Champaign, where I was mentored by Prof. Jimeng Sun.

Nowadays, AI is revolutionizing practices across multiple domains. My interest lies in leveraging AI’s potential to assimilate and utilize the vast expanse of human knowledge in different scientific disciplines, particularly in the areas of biochemistry and drug discovery, ultimately benefiting human society.

My research topics of interest include, but are not limited to, the following:

  • Graph Neural Networks (GNNs) for scientific discovery
  • Large Language Models (LLMs) for scientific discovery
  • LLM Agent Systems for scientific discovery

News

Nov 7, 2025 A paper got accepted at AAAI 2026.
Oct 27, 2025 I gave a research talk at UNIST AIGS open seminar titled ‘Artificial Intelligence for Molecular Science’
Oct 17, 2025 I was recognized as the “Top Reviewer” from NeurIPS 2025.
Oct 2, 2025 I gave a research talk at Genentech titled ‘Learning Multiple Modalities of Molecules: From GNNs to LLM Agents.’
Sep 18, 2025 A paper got accepted at NeurIPS 2025 as a spotlight presentation (Top 3.18 %).