New tool makes generative AI models more likely to create breakthrough materials
Our collaborative paper in artificial intelligence (AI) was selected by MIT news with the title “New tool makes generative AI models more likely to create breakthrough materials”.
This paper introduced SCIGEN (short for Structural Constraint Integration in GENerative model). SCIGEN is a computer code that ensures diffusion models adhere to user-defined constraints at each iterative generation step. With SCIGEN, users can give any generative AI diffusion model geometric structural rules to follow as it generates materials.
More information: R. Okabe et. al, Structural constraint integration in generative model for discovery of quantum material candidates, Nat. Mater. accepted (2025).