Assistant Professor Department of Computer Science University at Albany, State University of New York UAB 426, Albany, NY 12222 cliu24 AT albany.edu PhD in Computer Science, UC Santa Barbara ICML'25 AISTATS'25 Area Chair / IEEE-TNNLS Associate Editor / Private Pilot

[Biography] [Publications] [Talks] [Services] [Blogs] [Explorations]

Open Positions

• [Research Intern] I occasionally recruit research interns, in person or remote, to do some research projects, especially in summer. Feel free to drop me an email if you are interested! If you are a UAlbany student, feel free to come to my office hour to chat!

Research Interests

• Machine Learning: Bayesian optimization, bandit algorithms, and active learning.

• AI for Drug Discovery: experimental design, binding affinity prediction.

Teaching

• Spring 2025: CSI 436/536 Machine Learning [Syllabus]

• Fall 2024: CSI 436/536 Machine Learning

News

• Feb. 2025: I'll give a talk on our recent work "Constrained Multi-Objective Bayesian Optimization through Optimistic Constraints Estimation" at the 2025 Information Theory and Applications Workshop (ITA-2025)! Happy to meet you in San Diego!

• Feb. 2025: Happy to visit Prescient Design, Genentech in New York City!

• Jan. 2025: Paper "Constrained Multi-Objective Bayesian Optimization through Optimistic Constraints Estimation" is accepted by AISTATS-2025 conference! Many drug discovery problems are focusing on hitting multiple target performance criteria of a certain drug. In this paper, we model it as the constrained MOBO problem and solve it via optimistic constraints estimation. Congrats to coauthors Diantong Li (CUHK), Fengxue Zhang (UChicago), and Yuxin Chen (UChicago)!

• Jan. 2025: Happy to release a paper preprint "No-Regret Linear Bandits under Gap-Adjusted Misspecification"! This paper extends my UAI-2023 paper by proposing a new algorithm to relax a key assumption of it and providing a new gap dependent analysis.

• Jan. 2025: Happy new year! Wrote a blog sharing my computer science faculty job hunting experience in 2022-2023 market. Feel free to share if you found it interesting or helpful!

• Dec. 2024: Invited to serve as an Area Chair of ICML-2025 conference!

• Dec. 2024: Paper "Black-Box Optimization with Implicit Constraints for Public Policy" is accepted by AAAI-2025 AI for Social Impact Track for oral presentation! In this paper, we apply Bayesian optimization help police departments make decisions on police districting. Congrats to coauthors Wenqian Xing (Stanford), Jungho Lee (CMU), and Shixiang Zhu (CMU)!

• Oct. 2024: Invited to serve as an Area Chair of AISTATS-2025 conference!

• Oct. 2024: I'm co-organizing the "Generative AI for Decision Making" session with Prof. Shixiang Zhu at INFROMS-2024! Also, I'll give an invited talk at the "Bayesian optimization" session. Happy to meet you in Seattle!

• Oct. 2024: Happy to release a review preprint "Binding Affinity Prediction: From Conventional to Machine Learning-Based Approaches"!

• Aug. 2024: Hello Albany, New York! I've moved from Chicago to Albany to start my faculty career!