Jul 2026
APO: Unsupervised Atomic Policy Optimization for 3D Structure Prediction of Atomic Systems
Atomic Policy Optimization is proposed, a fully unsupervised alignment framework that eliminates the need for ground-truth reference structures and suggests that intrinsic physical consistency can serve as a superior guide for alignment compared to noisy, supervised coordinate matching.
Shentong Mo, Yatao Bian
· arXiv.org · 0 citations