Paper recorded by Signals 4 on 2026-10-21 in cs.LG. Abstract reproduced from arXiv; link to the original below.
Published 2026-10-21 on arXiv · recorded by Signals 4 on 2026-10-22
Category: cs.LG · 机器学习 · first seen 2026-10-22
Generative models propose crystalline materials by learning composition and geometry, but unconditional sampling gives no direct control over the space group, which constrains whether responses such as piezoelectricity are symmetry-allowed. We present Orbitol, a crystal generator built on the Crystalite diffusion Transformer that replaces atom tokens with Wyckoff-orbit tokens. Given a space group