2 papers
cs.LG2025
CrystalFramer: Rethinking the Role of Frames for SE(3)-Invariant Crystal Structure Modeling
Yusei Ito, Tatsunori Taniai, Ryo Igarashi +2
Crystal structure modeling with graph neural networks is essential for various applications in materials informatics, and capturing SE(3)-invariant geometric features is a fundamen…
cs.LG2025
Bridging Text and Crystal Structures: Literature-driven Contrastive Learning for Materials Science
Yuta Suzuki, Tatsunori Taniai, Ryo Igarashi +4
Understanding structure-property relationships is an essential yet challenging aspect of materials discovery and development. To facilitate this process, recent studies in material…