Personal Profile
Director of the AI for Science (AI4S) Center at Peking University. He studied and worked at National Taiwan University, Massachusetts Institute of Technology (MIT), and Harvard University. He has previously served as a Postdoctoral Fellow and Researcher at MIT, a Researcher at Harvard University, a Professor at the University of Pittsburgh, a Visiting Professor at Peking University, a Guangbiao Chair Professor at Zhejiang University, and a Professor and Director of the Intelligent Medical Center at the School of Intelligent Engineering, Sun Yat-sen University. His research focuses on the application of artificial intelligence in pharmaceuticals, medicine, chemistry, and biology. He has published over 370 papers in journals such asNaturesub-journals,Cellsub-journals, andIEEE Transactions on Pattern Analysis and Machine Intelligence (TPAMI), as well as conferences including ICML, CVPR, and AAAI. His works have been cited over 9,800 times, with an H-index of 53. He was listed in Elsevier’s China Highly Cited Scholars (Computer Science and Technology) from 2020 to 2024, included in the Global Scholar Academic Influence Ranking from 2021 to 2024, and ranked in both Stanford University’s "World’s Top 2% Scientists" lists for "Career-Long Impact" and "Single-Year Impact" from 2018 to 2024.
Introduction to AI4S Laboratory
Applying artificial intelligence to scientific research.
Talent Cultivation
Emphasis on interdisciplinary skills at the intersection of algorithms and science.
Expectations for Graduate Students
To explore science with passion and curiosity (lit. "eyes shining with light").
Main Research Directions
Honors and Awards
2009 MIT 100 international young innovator awards
2010 "Professor Shi Yanping's Thesis Award"
2010 MIT Young Scientist Award (2010/11/8)
2010 Harvard University, Systems Biology, Outstanding research Award
2011 IEEE Senior Member, Institute of Electrical and Electronics Engineers
2013 Bentham Science high cited paper
2019 2019-2024 Stanford University World’s Top 2% Scientists
2019 2019-2024 highly cited (computer science and Technology)
2020 2020-2024 world top scientist
2022 Shenzhen Pengcheng Peacock Plan Overseas High-Level Talents
2022 Shenzhen City Young Scientific and Technological Talents
2024 Shenzhen Pengcheng Peacock Plan Overseas High-Level Talents
Representative Papers
Recent Referee Papers
1.Ziduo Yang , Yi-Ming Zhao, Xian Wang, Xiaoqing Liu, Xiuying Zhang, Yifan Li, Qiujie Lv, Calvin Yu-Chian Chen*, Lei Shen*, Scalable Crystal Structure Relaxation Using an Iteration-Free Deep Generative Model with Uncertainty Quantification, Nature Communications, 2024, 15, 8148
2.Zhenchao Tang, Guanxing Chen, Shouzhi Chen, Jianhua Yao, Linlin You, Calvin Yu-Chian Chen, Modal-nexus auto-encoder for multi-modality cellular data integration and imputation, Nature Communications, 2024, 15, 1, 9021
3.Ziduo Yang, Weihe Zhong, Qiujie Lv, Tiejun Dong, Guanxing Chen, Calvin Yu-Chian Chen*, Interaction-Based Inductive Bias in Graph Neural Networks: Enhancing Protein-Ligand Binding Affinity Predictions from 3D Structures, IEEE Transactions on Pattern Analysis and Machine Intelligence, 2024, 46, 12, 8189-8208.
4.Haohuai He, Bing He, Lei Guan, Yu Zhao, Feng Jiang, Guanxing Chen, Qingge Zhu, Calvin Yu-Chian Chen*, Ting Li*, Jianhua Yao*, De novo generation of SARS-CoV-2 antibody CDRH3 with a pre-trained generative large language model, Nature Communications, 2024, 15:6867
5.Weihe Zhong#, Ziduo Yang#, Calvin Yu-Chian Chen*, Retrosynthesis prediction using an end-to-end graph neural network for molecular graph editing, Nature Communications, 2023, 14, 3009
