Rethinking Tokenizer and Decoder in Masked Graph Modeling for Molecules

Zhiyuan Liu, Yaorui Shi, An Zhang, Enzhi Zhang, Kenji Kawaguchi, Xiang Wang, Tat-Seng Chua. Rethinking Tokenizer and Decoder in Masked Graph Modeling for Molecules. In Alice Oh, Tristan Naumann, Amir Globerson, Kate Saenko, Moritz Hardt, Sergey Levine, editors, Advances in Neural Information Processing Systems 36: Annual Conference on Neural Information Processing Systems 2023, NeurIPS 2023, New Orleans, LA, USA, December 10 - 16, 2023. 2023. [doi]

Abstract

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