2 papers
cs.LG2026
Property-driven Protein Inverse Folding With Multi-Objective Preference Alignment
Xiaoyang Hou, Junqi Liu, Chence Shi +3
Protein sequence design must balance designability, defined as the ability to recover a target backbone, with multiple, often competing, developability properties such as solubilit…
cs.LG2024
Improving Molecular Graph Generation with Flow Matching and Optimal Transport
Xiaoyang Hou, Tian Zhu, Milong Ren +4
Generating molecular graphs is crucial in drug design and discovery but remains challenging due to the complex interdependencies between nodes and edges. While diffusion models hav…