2 papers
cs.LG2026
APO: Unsupervised Atomic Policy Optimization for 3D Structure Prediction of Atomic Systems
Shentong Mo, Yatao Bian
Predicting the 3D structures of atomic systems is fundamental to advancing material science and drug discovery. While flow-matching models (, FlowDPO) have recently shown promise i…
cs.LG2026
Be Your Own Teacher: Steering Protein Language Models via Unsupervised Reward Optimization
Lanqing Li, Shentong Mo, Yang Yu +1
Protein language models (PLMs) have emerged as powerful tools for controllable biomolecular design, yet their post-training adaptation typically relies on costly wet-lab validation…