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. I am also affiliated with AI Innovation Institute
and Institute for Advanced Computational Science.
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), scientific machine learning (SciML), and LLMs for Science.
I strive to develop novel AI methods to solve important problems in sciences, including but not limited to
quantum chemistry, physics, PDEs, climate science, material science, and biochemistry.
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. 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.
Preferred Qualifications:
PhD in CS: 1) CS/EE/Math/Physics major; 2) at least one first-author top-tier publication in ML (NeurIPS/ICML/ICLR/TPAMI/TMLR/CVPR/ACL/KDD etc) - top-tier publications in your current research field could be an alternative; 3) UG GPA>3.3/4 or similar.
UG/Grad Intern: 1) UG GPA>3.7/4 or similar; 2) has strong motivation and proactively pushes for progress; 3) has good communication skills.
Recent News
- [2025/02]
Glad to receive the Outstanding Teacher Award for Fall 2024
- [2025/01]
Preprint three new papers on a new explanation pipeline for 3D molecular graphs, LLMs for molecular learning, and a systematic study on neural operators, led by Ph.D. students Jingxiang Qu, Xufeng Liu, and Wenhan Gao, respectively.
- [2025/01]
Our lab has a new paper on discretization invariance of neural operators accepted to ICLR 2025. Congratulations to Ph.D. student Wenhan Gao!
- [2024/11]
Congratulations to Ph.D. student Wenhan Gao on successfully passing the preliminary exam!
- [2024/11]
Our lab has a new paper on explanation of 3D molecular graphs accepted to KDD 2025. Congratulations to Ph.D. student Xufeng Liu!
- [2024/10]
Ph.D. student Wenhan Gao receives the NeurIPS Travel Award
- [2024/09]
Our lab has a new paper on diversity and uncertainty of 3D graphs accepted to NeurIPS 2024. Congratulations to Ph.D. student Wenhan Gao!
- [2024/09]
Invited to serve as an area chair for ICLR 2025
- [2024/09]
Preprint a new paper on explanation of 3D molecular learning, led by Ph.D. student Xufeng Liu
- [2024/09]
Our lab has a new paper on symmetries of neural operators accepted to TMLR. Congratulations to Ph.D. student Wenhan Gao!
- [2024/08]
Welcome two new CS Ph.D. students joining our lab in Fall 2024: 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.
- [2024/08]
My undergraduate student Xiang Liu (freshman in CS/AMS) successfully completes a summer research project on neural operators for climate change through the SUNY SOAR program
- [2024/06]
Preprint a new paper on enhanced neural operators, led by Ph.D. student Wenhan Gao
- [2024/03]
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]
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 lab. 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 lab. Wenhan earned dual Bachelor's degrees in Pure Math and Applied Math from Stony Brook with a GPA of 4.0/4.0.