Self-Supervised Learning with Atom Replacement for Catalyst Energy Prediction by Graph Neural Networks. - Yasufumi Sakai; Thang Dang; Shigeki Fukuta; Koichi Shirahata; Atsushi Ishikawa; Atsuki Inoue; Hiroshi Kawaguchi 001; Árni Björn Höskuldsson; Egill Skúlason (INNS DLIA@IJCNN, 2023)

Active Learning for Graph Neural Networks Training in Catalyst Energy Prediction. - Yasufumi Sakai; Naoki Matsumura; Atsuki Inoue; Hiroshi Kawaguchi 001; Thang Dang; Atsushi Ishikawa; Árni Björn Höskuldsson; Egill Skúlason (IJCNN, 2024)