Speaker: Dr. Kai Liu, Vice President of Artificial Intelligence at SES AI

Time: 14:00 p.m., Jun 10, 2025, GMT+8

Venue: Room 204, Courtyard No.5, Jingyuan, PKU 

Abstract: 

In recent years, AI for Science (AI4Science) has emerged as a transformative paradigm, driving advances across diverse domains such as drug discovery, materials science, chemical synthesis, mathematics, and machine learning itself. Many of the most pressing scientific questions today are increasingly data-driven—whether arising from molecular graph representations, multi-modal biomedical data, or high-dimensional pathological images. In this landscape, AI is rapidly becoming the “third pillar” of scientific discovery, complementing theoretical reasoning and experimental validation.
In this talk, I will present real-world case studies from industry research, particularly in biotechnology and materials science, to illustrate how AI is reshaping scientific workflows. I will discuss how multi-omics patient data can be mined using machine learning to reveal novel drug targets and enable personalized therapies. I will also highlight how equivariant neural networks can approximate Density Functional Theory (DFT) to accurately predict molecular properties and accelerate material design.

Source: Center on Frontiers of Computing Studies, PKU