Self-Supervised Learning with Atom Replacement for Catalyst Energy Prediction by Graph Neural Networks.
Yasufumi SakaiThang DangShigeki FukutaKoichi ShirahataAtsushi IshikawaAtsuki InoueHiroshi KawaguchiÁrni Björn HöskuldssonEgill SkúlasonPublished in: INNS DLIA@IJCNN (2023)