2 papers
cond-mat.mtrl-sci2026
Bgolearn: a Unified Bayesian Optimization Framework for Accelerating Materials Discovery
Bin Cao, Jie Xiong, Jiaxuan Ma +11
Efficient exploration of vast compositional and processing spaces remains a major challenge in accelerated materials discovery. Bayesian optimization (BO) provides a principled app…
cond-mat.mtrl-sci2025
KAN-Enhanced Contrastive Learning Accelerating Crystal Structure Identification from XRD Patterns
Chenlei Xu, Tianhao Su, Jie Xiong +6
Accurate determination of crystal structures is central to materials science, underpinning the understanding of composition-structure-property relationships and the discovery of ne…