3d structure prediction 1atomic systems 1policy optimization 1thermodynamic stability 1unsupervised learning 1
From the 1 of 2 linked papers with an AI index.
2 papers
cs.LG2026
APO: Unsupervised Atomic Policy Optimization for 3D Structure Prediction of Atomic Systems
Shentong Mo, Yatao Bian
The paper introduces Atomic Policy Optimization (APO), an unsupervised method that learns to predict 3D structures of atomic systems by optimizing a policy with dual rewards for st…
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…