ReLM: Leveraging Language Models for Enhanced Chemical Reaction Prediction. - Yaorui Shi; An Zhang 003; Enzhi Zhang; Zhiyuan Liu 001; Xiang Wang 010 (EMNLP (Findings), 2023)

Rethinking Tokenizer and Decoder in Masked Graph Modeling for Molecules. - Zhiyuan Liu 001; Yaorui Shi; An Zhang 003; Enzhi Zhang; Kenji Kawaguchi; Xiang Wang 010; Tat-Seng Chua (NeurIPS, 2023)

ReactXT: Understanding Molecular "Reaction-ship" via Reaction-Contextualized Molecule-Text Pretraining. - Zhiyuan Liu 001; Yaorui Shi; An Zhang 003; Sihang Li 002; Enzhi Zhang; Xiang Wang 010; Kenji Kawaguchi; Tat-Seng Chua (ACL (Findings), 2024)

Intelligent System for Automated Molecular Patent Infringement Assessment. - Yaorui Shi; Sihang Li 002; Taiyan Zhang; Xi Fang; Jiankun Wang 011; Zhiyuan Liu 001; Guojiang Zhao; Zhengdan Zhu; Zhifeng Gao; Renxin Zhong; Linfeng Zhang 002; Guolin Ke; et al. (CoRR, 2024)

SciLitLLM: How to Adapt LLMs for Scientific Literature Understanding. - Sihang Li 002; Jin Huang; Jiaxi Zhuang; Yaorui Shi; Xiaochen Cai; Mingjun Xu; Xiang Wang 010; Linfeng Zhang 002; Guolin Ke; Hengxing Cai (ICLR, 2025)

NExT-Mol: 3D Diffusion Meets 1D Language Modeling for 3D Molecule Generation. - Zhiyuan Liu 001; Yanchen Luo; Han Huang; Enzhi Zhang; Sihang Li 002; Junfeng Fang; Yaorui Shi; Xiang Wang 010; Kenji Kawaguchi; Tat-Seng Chua (ICLR, 2025)

Dual Graph Attention Networks for Multi-View Visual Manipulation Relationship Detection and Robotic Grasping. - Mengyuan Ding; Yaxin Liu; Yaorui Shi; Xuguang Lan; Nanning Zheng 001 (IEEE Trans Autom. Sci. Eng., 2025)

Multimodal Language Modeling for High-Accuracy Single Cell Transcriptomics Analysis and Generation. - Yaorui Shi; Jiaqi Yang; Sihang Li 002; Junfeng Fang; Cheng-Xiang Wang 001; Zhiyuan Liu 001; Yang Zhang (CoRR, 2025)

Search and Refine During Think: Autonomous Retrieval-Augmented Reasoning of LLMs. - Yaorui Shi; Sihang Li 002; Chang Wu 003; Zhiyuan Liu 001; Junfeng Fang; Hengxing Cai; An Zhang 003; Xiang Wang 010 (CoRR, 2025)