News
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Xinyuan Zhu
Lab for Data Science
100, Fuxing Road, Hefei, China
Email: zhuxinyuan@mail.ustc.edu.cn
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I am a final-year Ph.D. student @ University of Science and Technology of China (USTC) since Sep 2021, co-supervised by Prof. Xiangnan He and Prof. Fuli Feng.
I obtained B.Eng in Artificial Intelligence and Information Security in USTC.
I was affiliated with the School of the Gifted Young, which originates from the first undegraduate program for special young talents in China.
My research interests lie in applying machine learning methods to biology and medicine (AI for Health), with a current focus on leveraging LLM agent to drive automated scientific discovery and acceletae drug discovery. Previously I actively researched in the field of Recommender System and Causal Inference.
Publications
| Hierarchical Progressive Learning for Zero-Shot Peptide-HLA Binding Prediction and Automated Antigenic Peptide Design
Xinyuan Zhu, Jiadong Lu, Xinting Hu, Tengchuan Jin, Shan Lu and Fuli Feng Cell Reports |
| Machine Learning Dataset and Benchmark for Accurate T Cell Receptor-pHLA Binding Prediction
Xinyuan Zhu, Jiadong Lu, Yeqing Lu, Yuyan Zhang and Fuli Feng Under reivew of Nature Computational Science |
| Improving Prostate Cancer Risk Prediction through Partial AUC Optimization
Xinyuan Zhu, Xiaohan Ren, Wentao Shi, Changming Wang, Xuehan Liu, Yuqing Liu, Tao Tao, Fuli Feng The Web Conference (WWW) 2024 - Health Day |
| Mitigating Hidden Confounding Effects for Causal Recommendation
Xinyuan Zhu, Yang Zhang, Fuli Feng, Xun Yang, Dingxian Wang, Xiangnan He IEEE Transactions on Knowledge and Data Engineering (TKDE) |
Education
| University of Science and Technology of China Master in Electronic Engineering Sep 2021 - , Hefei, Anhui, China Advisor: Prof. Xiangnan He and Prof. Fuli Feng. |
| University of Science and Technology of China B.Eng. in Information Security and Artificial Intelligence Sep 2017 - June 2021, Hefei, Anhui, China Advisor: Prof.Xiangnan He and Prof.Fuli Feng. |
Industry Experiences
| Research Intern, AI for Science Lab, Alibaba Cloud, Apr 2025 - now • My research during internship in Alibaba Cloud is focused on the design and implementation of LLM agent system for virtual screening and drug discovery. |
| Research Intern, BioGeometry, Apr 2023 - Jul 2023 Mentor: Dr. Meng Qu and Prof. Jian Tang • During my internship at BioGeometry, a pioneering AI Drug Discovery startup, I played a key role in designing and developing the advanced RAG system for biomedicine. This state-of-the-art system leveraged the power of LLMs and vast repositories of biomedical information, including texts, patents, molecular data, and protein information, to greatly accelerate the drug discovery process. |
| Research Intern, Theory Dept., 2012 Lab, Huawei Technologies Co., Ltd, Jan 2020 - June 2020 Mentor: Dr. Sen Wang and Dr. Peng Wang • Design privacy-preserving learning mechanism with (local) differential privacy for edge-cloud collaborative learning. • Use model inversion attack and membership inference attack to test the performance of the system. • The built prototype Mistnet has been transferred to Plato (a federated learning framework) and Sedna (AI Toolkit over KubeEdge). |
Selected Awards
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USTC Chuying Fund Support, 2024 USTC Outstanding Student Scholarship, 2021-2024 USTC Outstanding Graduate 2021 Qiangwei Scholarship, 2021 Cyrus Tang Scholarship, 2017 - 2021 Challenge Cup, National Third Prize, 2020 Neural Network Intelligence (NNI) by MSRA, Outstanding Project 2020 Robotics Competition of USTC, Bronze Medal, 2019 Anhui Province Undergraduate Mathematical Contest in Modeling, First Prize, 2019 National Undergraduate Mathematical Contest in Modeling, Second Prize, 2019 The fifth national university student entrepreneur training summer camp, Second prize, 2019 |
Activities
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Teaching Assistant • Probability and Statistics B. Lecturer: Prof. Weiwei Zhuang 2020.1 - 2020.6 @USTC • Advanced Computer Programming. Lecturer: Prof. Weihai Li 2020.9 - 2020.12 @USTC • Introduction to Cryptography. Lecturer: Prof. Weihai Li 2021.1 - 2021.6 @USTC |