Rui Wang
Assistant Professor @ RIT | COS School of Mathematics and Statistics
Office: 85 Lomb Memorial Drive, GOS-2284, Rochester, NY 14623
Contact: rxwsma[at]rit[dot]edu or rui[dot]wang[at]rit[dot]edu
I am currently an Assistant Professor in the School of Mathematics and Statistics, College of Science, at Rochester Institute of Technology. Prior to joining RIT, I was an Independent Postdoctoral Fellow at the Simons Center for Computational Physical Chemistry (SCCPC) at New York University and a Visiting Assistant Professor in the Department of Mathematics at Michigan State University. I hold a Bachelor’s Degree in Mathematics and Applied Mathematics from Xi’an Jiaotong University and a Ph.D. in Applied Mathematics from Michigan State University, where I worked under the supervision of Prof. Guowei Wei.
My research focuses on developing innovative mathematical methods, particularly in topological and geometric data analysis (TDA/GDA), to understand various biological processes. Combined with machine learning (ML) models, this understanding enables rapid, data-driven responses to emerging diseases by providing predictive insights for identifying effective therapeutic candidates in early-stage drug discovery. My interests include computational topology and graphs, mathematical modeling of infectious diseases, mathematical virology, RNA motif design, protein-peptide docking prediction, and genomics analysis.
Research Interests
-
Mathematics-aided Artificial Intelligence and Data Science
- Applied Topology and Topological Spectral Theory: Persistent Spectral Graph; Persistent Path Laplacian
- Artificial Intelligence: Topological Deep Learning; AutoEncoder; UMAP-assisted K-Means Clustering
- Data Science: Topological Data Analysis; Dimensionality Reduction
-
Mathematical Modeling of Biosciences
- Biomolecules: Persistent Topological Laplacians of Biomolecules; Curvature-based Biomolecular Surfaces; Graph Theory-based Flexibility-Rigidity Index (FRI) for Proteins; Stochastic Prediction of Protein B-factor
- Bio-Complexes: Algebraic Topology-based Protein-Ligand/Protein Binding Free Energy (BFE) Prediction
-
Artificial Intelligence for Life Science (AI4LifeScience)
- Infectious Disease: Early Prediction of Infectivity-enhanced and Vaccine-escaped Mutations
- RNA Motify Design: Clustering-based Top RNA-like Structure Prediction and Design
- Protein-peptide Docking: Enhancing Protein-peptide Complex Prediction by Topological Deep Learning
- Drug Discovery: Generative AI in Drug Design for Cocaine Addiction and Opioid Dependence
- Biomedical Imaging: Quantification of Transplanted Cell in Vivo Imaging Aided by CNN and U-NET
News
| 08/12/2026 | Joined School of Mathematics and Statistics @ Rochester Institute of Technology as an Assistant Professor |
|---|---|
| 01/01/2025 | Selected to serve as an Early Career Board member for the Journal of Chemical Information and Modeling (JCIM) |
| 10/23/2024 | Organized a mini-symposium @ 2024 SIAM Conference on Mathematics of Data Science (MDS24) |
| 12/18/2023 | Joined Simons Center for Computational Physical Chemistry (SCCPC) @ New York University as an Independent Postdoctoral Fellow |
| 09/24/2022 | Organized a mini-symposium @ 2022 SIAM Great Lakes Section Annual Meeting (GLSIAM) |
| 07/07/2022 | Defended my Ph.D. Thesis |