Biography
Dr. Calvin Chen Yu-Chian is Director of the Center for AI for Science (AI4S), Peking University. He studied at National Taiwan University, the Massachusetts Institute of Technology, and Harvard University. His research focuses on AI for Science. He has published more than 370 papers in journals such as the Nature, Science, and Cell family journals, IEEE Transactions on Pattern Analysis and Machine Intelligence (TPAMI), as well as in leading conferences including ICML and CVPR. His H-index is 57. Since 2018, he has been continuously recognized on the Elsevier Highly Cited Chinese Researchers List in the field of Computer Science. Since 2020, he has also been continuously included in global rankings of scholars’academic influence. Since 2018, he has been continuously listed in both the career-long impact and single-year impact categories of the global World’s Top 2% Scientists rankings.
To date, he has led or participated in a number of major research projects, including the National Science and Technology Major Project, the National Key R&D Program of China, General Program projects of the National Natural Science Foundation of China, NSFC International (Regional) Cooperation and Exchange projects, provincial-level science and technology programs, the Guangdong High-Level University Development Program (“Chong Bu Qiang”),Shenzhen Graduate School AI4S Interdisciplinary Special Projects, and industry-sponsored technology development projects.
He has received the MIT Young Scientist Award, the Harvard University Outstanding Research Award in Systems Biology, the Shenzhen Natural Science Award in Artificial Intelligence, the Outstanding Mentor Award of the Tencent Rhino-Bird Elite Talent Program, the Excellent Award for Outstanding Scientific and Academic Papers of Shenzhen, and recognition under the Shenzhen Peacock Talent Program.
Current Research Interests
AI for Science, World Models, Autonomous Multi-Agent Systems, and AutoGenetic Memory.
Major Research Projects in Recent Years
1.National Science and Technology Major Project for the Prevention and Control of Emerging, Sudden-Onset, and Major Infectious Diseases, 2025ZD01901502, Construction of a Large Language Foundation Model for Microbial Nucleic Acid Sequences, Dec. 2025 to Nov. 2028, CNY 82.585 million, ongoing, Principal Investigator.
2.National Key R&D Program of China, Key Special Program “Synthetic Biology”, 2024YFA0917600, Construction of an Artificial Intelligence- and Big Data-Driven Platform for Biosynthetic Pathway Design and Efficient Validation, Dec. 2024 to Nov. 2029, CNY 1.00 million, ongoing, Participant.
3.National Natural Science Foundation of China, International (Regional) Cooperation and Exchange Program, 62541160275, Deep Learning-Based Imputation of Single-Cell Multimodal Data and Unified Analysis of Heterogeneous Data, Jan. 2026 to Dec. 2028, CNY 0.45 million, ongoing, Principal Investigator.
4.Yunnan Provincial Department of Science and Technology, Innovation Guidance and Technology-Based Enterprise Cultivation Program, 202504BW050004, High-Throughput Analysis of Small-Molecule Natural Products from Yunnan Characteristic Plants and Key Technologies for AI-Assisted Rapid Drug Screening, Jun. 2025 to May 2028, CNY 1.00 million, ongoing, Participant.
5.Guangdong High-Level University Development Program (“Chong Bu Qiang”), Shenzhen Graduate School AI4S Interdisciplinary Special Project (Demand-Driven Category), Development of an Enzyme Kinetic Parameter Predictor and Screening of Novel Enzymes, Jan. 2025 to Dec. 2027, CNY 1.00 million, ongoing, Principal Investigator.
6.Guangdong High-Level University Development Program (“Chong Bu Qiang”), Shenzhen Graduate School AI4S Interdisciplinary Special Project (Demand-Driven Category), Development of an AI Model for Single-Cell Pharmacogenomics, Jan. 2025 to Dec. 2027, CNY 1.00 million, ongoing, Principal Investigator.
7.Huawei Technologies Co., Ltd., Technology Development Project, Technical Cooperation Project on an Enabling Toolkit for Foundation Models in Chemistry, Nov. 2024 to Dec. 2025, CNY 1.20 million, completed, Principal Investigator.
Representative Publications
For a complete list of publications, please refer to https://orcid.org/0000-0001-9213-9832
Recent Years Referee Papers
1.Chen, Shouzhi, Tang, Zhenchao, You , Linlin, Tian, Yonghong*,Calvin Yu-Chian Chen*, DiConSite: A Unified Topology-Adaptive Architecture for Protein Binding Site Prediction Across Ligand Modalities,IEEE Transactions on Pattern Analysis and Machine Intelligence,2026
2.scProtoTransformer: Scalable Reference Mapping Across Molecules, Cells and Donors,Science Advances,2026
3.scTransMIL Bridges Patient-Level Disease States and Single-Cell Transcriptomics for Cancer Screening and Heterogeneity Inference,Nature Communications,2026
4.ZhenchaoTang,GuanxingChen,ShouzhiChen,HaohuaiHe,JiehuiHuang,TiejunDong,JunZhou,LuZhao,LinlinYou,Shouzhi Chen, Zhenchao Tang,Calvin Yu-Chian Chen*, Modal-NexT: Towards unified heterogeneous cellular data integration,Information Fusion,125, 2026, 103479.
5.Linlin You , Zihan Guo , Chau Yuen,Calvin Yu-Chian Chen, Yan Zhang*, H. Vincent Poor*, A framework reforming personalized Internet of Things by federated meta-learning,Nature Communications,2025, 3739
6.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(CAS Q1,CAS top journal, IF:17.3134)
7.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 (CAS Q1,CAS top journal,IF:17.3134)
8.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.(CAS Q1,CAS top journal, IF:24.3134)
9.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 (CAS Q1,CAS top journal, IF:17.3134)
10.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 (CAS Q1,CAS top journal, IF:17.3134)
11.Qiujie Lv, Guanxing Chen, Haohuai He, Ziduo Yang, Lu Zhao, Kang Zhang,Calvin Yu-Chian Chen*, TCMBank-the largest TCM database provides deep learning-based Chinese-Western medicine exclusion prediction,Signal Transduction and Targeted Therapy,2023, 8, 127 (中CAS Q1,CAS top journal, IF: 81.2)
