Search Results for author: Yaorui Shi

Found 2 papers, 2 papers with code

Rethinking Tokenizer and Decoder in Masked Graph Modeling for Molecules

1 code implementation • NeurIPS 2023 • Zhiyuan Liu, Yaorui Shi, An Zhang, Enzhi Zhang, Kenji Kawaguchi, Xiang Wang, Tat-Seng Chua

Our results show that a subgraph-level tokenizer and a sufficiently expressive decoder with remask decoding have a large impact on the encoder's representation learning.

Representation Learning Self-Supervised Learning

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Code

ReLM: Leveraging Language Models for Enhanced Chemical Reaction Prediction

1 code implementation • 20 Oct 2023 • Yaorui Shi, An Zhang, Enzhi Zhang, Zhiyuan Liu, Xiang Wang

Predicting chemical reactions, a fundamental challenge in chemistry, involves forecasting the resulting products from a given reaction process.

Chemical Reaction Prediction

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Code

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