About Me
I am currently a PhD candidate at the Department of Computing (COMP), The Hong Kong Polytechnic University (PolyU)
, under the supervision of Prof. Wenqi Fan and Chair Prof. Qing Li. My research interest lies in AI4Science and Natural Language Processing. I am always welcoming collaboration from solid partners.
Research Interest
- AI for Science (Molecule/Protein Representation Learning and Generation)
- Natural Language Processing
Selected Publications

Enhancing Molecular Property Predictions by Learning from Bond Modelling and Interactions
Yunqing Liu, Yi Zhou, Wenqi Fan
The Fourteenth International Conference on Learning Representations (ICLR 2026)

GLProtein: Global-and-Local Structure Aware Protein Representation Learning
Yunqing Liu, Wenqi Fan, Xiaoyong Wei, Qing Li
In Findings of the Association for Computational Linguistics: EMNLP 2025
Code

Empowering Molecule Discovery for Molecule-Caption Translation with Large Language Models: A ChatGPT Perspective
Jiatong Li, Yunqing Liu*, Wenqi Fan, Xiao-Yong Wei, Hui Liu, Jiliang Tang, Qing Li
*Corresponding Author
IEEE Transactions on Knowledge and Data Engineering
Code 中文Chinese
Publications 

Enhancing Molecular Property Predictions by Learning from Bond Modelling and Interactions
Yunqing Liu, Yi Zhou, Wenqi Fan
The Fourteenth International Conference on Learning Representations (ICLR 2026)

HD-Prot: A Protein Language Model for Joint Sequence-Structure Modeling with Continuous Structure Tokens
Yi Zhou, Haohao Qu, Yunqing Liu, Shanru Lin, Le Song, Wenqi Fan

GLProtein: Global-and-Local Structure Aware Protein Representation Learning
Yunqing Liu, Wenqi Fan, Xiaoyong Wei, Qing Li
In Findings of the Association for Computational Linguistics: EMNLP 2025
Code

TOMG-Bench: Evaluating LLMs on Text-based Open Molecule Generation
Jiatong Li, Junxian Li, Yunqing Liu, Dongzhan Zhou, Qing Li

MolReFlect: Towards In-Context Fine-grained Alignments between Molecules and Texts
Jiatong Li, Junxian Li, Yunqing Liu, Dongzhan Zhou, Qing Li

Recommender Systems in the Era of Large Language Models (LLMs)
Wenqi Fan, Zihuai Zhao, Jiatong Li, Yunqing Liu, Xiaowei Mei, Yiqi Wang, Jiliang Tang, Qing Li
IEEE Transactions on Knowledge and Data Engineering
Tutorial

Empowering Molecule Discovery for Molecule-Caption Translation with Large Language Models: A ChatGPT Perspective
Jiatong Li, Yunqing Liu*, Wenqi Fan, Xiao-Yong Wei, Hui Liu, Jiliang Tang, Qing Li
*Corresponding Author
IEEE Transactions on Knowledge and Data Engineering
Code 中文Chinese

Generative Diffusion Models on Graphs: Methods and Applications
Chengyi Liu, Wenqi Fan, Yunqing Liu, Jiatong Li, Hang Li, Hui Liu, Jiliang Tang, Qing Li
In Proceedings of the Thirty-Second International Joint Conference on Artificial Intelligence
中文Chinese Github Poster

Improving User Controlled Table-To-Text Generation Robustness
Hanxu Hu, Yunqing Liu, Zhongyi Yu and Laura Perez-Beltrachini
In Findings of the Association for Computational Linguistics: EACL 2023
Code

Late-Stage Photoredox C–H Amidation of N-Unprotected Indole Derivatives: Access to N-(Indol-2-yl)amides
Yue Weng, Bo Ding, Yunqing Liu, Chunlan Song, Lo-Ying Chan, and Chien-Wei Chiang
Organic Letters, 2021, 23(7), 2710-2714

Selective Photoredox Trifluoromethylation of Tryptophan-Containing Peptides
Bo Ding, Yue Weng, Yunqing Liu, Chunlan Song, Le Yin, Jiafan Yuan, Yanrui Ren, Aiwen Lei, Chien-Wei Chiang
European Journal of Organic Chemistry, 2019, 46(12), 7596-7605
Education
Ph.D student in Computing | 2023.01 - Now
The Hong Kong Polytechnic University
Advisor: Prof. Wenqi Fan and Chair Prof. Qing Li
MSc in Computer Science | 2021.09 - 2022.11
University of Edinburgh
Advisor: Prof. Elizabeth Polgreen
BEng in Computer Science and Technology | 2017.09 - 2020.06
Wuhan University
Advisor: Prof. Huajun Liu
BSc in Chemistry | 2016.09 - 2020.06
Wuhan University
Advisor: Prof. Chien-Wei Chiang and Prof. Aiwen Lei
Working Experience
- Research Assistant | 2022.10 - 2023.01 | Hong Kong
Department of Computing, Hong Kong Polytechnic University
Advisor: Prof. Wenqi Fan and Chair Prof. Qing Li - Research Assistant | 2020.12 - 2021.05 | Beijing
State Key Laboratory of Computer Science (SKLCS), Institute of Software, Chinese Academy of Sciences
Advisor: Dr. Zhendong Lei and Prof. Shaowei Cai
