2 papers
cond-mat.mtrl-sci2025
A closed-loop AI framework for hypothesis-driven and interpretable materials design
Kangyu Ji, Tianran Liu, Fang Sheng +3
Scientific hypothesis generation is central to materials discovery, yet current approaches often emphasize either conceptual (idea-to-data) reasoning or data-driven (data-to-idea)…
physics.app-ph2025
Multimodal transformers with elemental priors for phase classification of X-ray diffraction spectra
Kangyu Ji, Fang Sheng, Tianran Liu +2
Classifying a crystalline solid's phase using X-ray diffraction (XRD) is a challenging endeavor, first because this is a poorly constrained problem as there are nearly limitless ca…