Self-Supervised Learning with Atom Replacement for Catalyst Energy Prediction by Graph Neural Networks - researchr publication authors

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Yasufumi Sakai, Thang Dang, Shigeki Fukuta, Koichi Shirahata, Atsushi Ishikawa, Atsuki Inoue, Hiroshi Kawaguchi, Árni Björn Höskuldsson, Egill Skúlason. Self-Supervised Learning with Atom Replacement for Catalyst Energy Prediction by Graph Neural Networks. In Chrisina Jayne, Danilo P. Mandic, Richard J. Duro, editors, International Neural Network Society Workshop on Deep Learning Innovations and Applications, INNS DLIA@IJCNN 2023, Gold Coast, Australia, 23 June 2023. Volume 222 of Procedia Computer Science, pages 458-467, Elsevier, 2023. [doi]

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