Yi Liu, Ph.D.
Assistant Professor, Data Science
Department of Applied Mathematics & Statistics
Department of Computer Science (by courtesy)
Stony Brook University
Email: yi.liu.4 AT stonybrook DOT edu
Office: Math Tower 1-103
Lab: Computer Science Building 2203
Google Scholar
@iamyiliu
LinkedIn




Short Bio

I am an Assistant Professor of Data Science with the Department of Applied Mathematics & Statistics and the Department of Computer Science at Stony Brook University. Before that, I was an Assistant Professor in the Department of Computer Science at Florida State University. I received my Ph.D. in Computer Science at Texas A&M University in 2022, advised by Dr. Shuiwang Ji. I received my M.E. in Biomedical Engineering in 2015 and B.E. in Electronic Engineering in 2012, both from University of Science and Technology of China.

Research Interests

I am broadly interested in machine learning, deep learning, and data mining. My current and specific research interests are geometric deep learning , AI for Science (AI4Science), and LLMs for Science. I strive to develop novel AI methods to solve important problems in sciences, including but not limited to quantum chemistry, material science, biochemistry, physics, and PDEs.

Besides publishing top-tier papers, I am also active in open challenges and open-source communities. I am leading the champion team on Cleft Detection of MICCAI CREMI Open Challenge, a member of the #3 team on the Open Catalyst Challenge, and a contributor to the popular open-source library DIG:Dive Into Graphs.

[Prospective students] I am looking for highly motivated and self-driven Ph.D. students with strong mathematical backgrounds and/or programming skills starting from Spring 2025. You can apply to any of the Ph.D. programs in Computer Science, Data Science, and Applied Mathematics & Statistics, and mention me in your applications. If you are sending an email, please start your email subject with "PhD Application-Semester-Year". Your email should include your CV and ALL transcripts. Your CV should include your (1) undergraduate GPA and ranking (if applicable), and (2) TOEFL score (GRE is NOT required). You can rest assured that all E-mails will be read, but please accept apologies if you do not receive a response. Please do NOT send repeated inquiries, which would not help.

For current students at Stony Brook, please send me an email with your CV for an in-person meeting. Note currently I don't provide RA support for master students. I also host self-funded interns and visiting students/scholars. For applicants outside the US, only the remote option is available. Please drop me an email if you are willing to work on an exciting project on AI4Science and LLMs for Science!

Recent News

  • [2024/04] Ph.D. student Wenhan Gao runs the Stony Brook AI4PDE Seminar. Please contact Wenhan if you are interested in the intersection of AI and PDEs and applications (climate change, weather forecasting, Geoscience, physical modeling, etc).
  • [2024/03] Ph.D. student Xufeng Liu presents our recent work on XAI for Science at the CS Graduate Research Day.
  • [2024/03] New CS Ph.D. students (Fall 2024) to our lab: Fang Wan, B.S. in Computer Science at USTC, GPA 3.88, ranked 24th/271; Jingxiang Qu, M.E. at WUT, first-authored 6+ top-tier papers.
  • [2024/03] Invited to give a talk on AI4Science to the NY State CSTEP Program for involving students from underrepresented groups in research at Stony Brook
  • [2024/03] Glad to receive the Excellence in Teaching Award for Fall 2023
  • [2024/01] Welcome CS Ph.D. Xufeng Liu joining our group. Xufeng earned his Master's degree in Computer Science from SJTU.
  • [2023/11] Invited to give a talk on AI4Science to an NSF Research Traineeship project at Stony Brook University
  • [2023/10] Invited to serve on NSF panels
  • [2023/09] Welcome AMS Ph.D. Wenhan Gao joining our group. Wenhan earned dual Bachelor's degrees in Pure Math and Applied Math from Stony Brook with a GPA of 4.0/4.0. Wenhan first-authored a top-tier paper during his undergraduate study.
  • [2023/07] Release our 263-page AI4Science survey paper led by Dr. Shuiwang Ji and contributed by 63 authors from 14 institutions
  • [2023/04] One paper accepted to ICML 2023