2 papers
cs.LG2026
LapidaryEngine: Fully Conversational Crystal Generation
Yusei Ito, Yuta Suzuki, Tomoya Murata +1
The emergence of Large Language Models (LLMs) has inspired the vision of generating bespoke crystal materials directly from natural-language instructions, enabling users to design…
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…