Jul 2026
Insights into the Indexing of Powder X-ray Diffraction from a Robust Transformer Deep Learning
AIdex-R2 is proposed, a transformer-based end-to-end framework that performs joint inference of the extinction groups (EGs) and unit cell parameters from sequences of low-angle diffraction reflections, providing a novel perspective and evidence for understanding the "black box" of PXRD indexing.
Ke Shu, Wei-Xin Yan, Huai-Hai Li et al.
· Journal of Chemical Informat... · 0 citations