4 papers
Distributional Priors Guided Diffusion for Generating 3D Molecules in Low Data Regimes
Haokai Hong, Wanyu Lin, Ming Yang +1
Can we train a 3D molecule generator using data from dense regions to generate samples in sparse regions? This challenge can be framed as an out-of-distribution (OOD) generation pr…
PII-Bench: Evaluating Query-Aware Privacy Protection Systems
Hao Shen, Zhouhong Gu, Haokai Hong +1
The widespread adoption of Large Language Models (LLMs) has raised significant privacy concerns regarding the exposure of personally identifiable information (PII) in user prompts.…
Enhancing Generalization and Scalability for Multi-Objective Optimization with Population Pre-Training
Haokai Hong, Liang Feng, Min Jiang +1
Multi-objective optimization problems (MOPs) require the simultaneous optimization of conflicting objectives. Real-world MOPs often exhibit complex characteristics, including high-…
Accelerating 3D Molecule Generation via Jointly Geometric Optimal Transport
Haokai Hong, Wanyu Lin, Kay Chen Tan
This paper proposes a new 3D molecule generation framework, called GOAT, for fast and effective 3D molecule generation based on the flow-matching optimal transport objective. Speci…