Hi! I’m Yaorui Shi, a second-year master student at the University of Science and Technology of China (USTC), under the supervision of Professor Xiang Wang. My research interests include AI for chemistry, natural language processing, and graph neural networks. Currently, I am focusing on developing large language models for chemistry and biology.

My publications

• ReactXT: Understanding Molecular” Reaction-ship” via Reaction-Contextualized Molecule-Text Pretraining from findings of ACL 2024, paper

  Zhiyuan Liu*, Yaorui Shi*, An Zhang, Sihang Li, Enzhi Zhang, Xiang Wang, Kenji Kawaguchi, Tat-Seng Chua.

• Rethinking Tokenizer and Decoder in Masked Graph Modeling for Molecules from NeurIPS 2023, paper

  Zhiyuan Liu, Yaorui Shi, An Zhang, Enzhi Zhang, Kenji Kawaguchi, Xiang Wang, Tat-Seng Chua.

• ReLM: Leveraging Language Models for Enhanced Chemical Reaction Prediction from findings of EMNLP 2023, paper

  Yaorui Shi, An Zhang, Enzhi Zhang, Zhiyuan Liu, Xiang Wang.

Educational experience

• Master of Artificial Intelligence, University of Science and Technology of China, 2023.9-Present
• Bachelor of Computer Science, Xi’an Jiaotong University, 2019.9-2023.6
• Young Gifted Program, Xi’an Jiaotong University, 2017.9-2019.6

Other Experience

• Internship at DP Technology, Beijing, 2024.7-Present
• Internship at the National University of Singapore, Next++ research group, 2023.1-2023.6
• Volunteered at the 14th National Games in China, Xi’an, 2021.7
• Awarded as one of the “Seventy Most Notable People of the Past Seventy Years at XJTU”, 2019.10
• Participated in the online TV program Super Brain in China, 2018.12