2 papers
cs.LG2025
HeFS: Helper-Enhanced Feature Selection via Pareto-Optimized Genetic Search
Yusi Fan, Tian Wang, Zhiying Yan +8
Feature selection is a combinatorial optimization problem that is NP-hard. Conventional approaches often employ heuristic or greedy strategies, which are prone to premature converg…
cs.LG2025
MolProphecy: Bridging Medicinal Chemists' Knowledge and Molecular Pre-Trained Models via a Multi-Modal Framework
Jianping Zhao, Qiong Zhou, Tian Wang +8
MolProphecy is a human-in-the-loop (HITL) multi-modal framework designed to integrate chemists' domain knowledge into molecular property prediction models. While molecular pre-trai…