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cs.LG2026
ASAP: Agent-System Co-Design for Wall-Clock-Centered Auto HPO Research for ML Experiments
Taicheng Guo, Haomin Zhuang, Kehan Guo +4
Hyperparameter Optimization (HPO) is essential for maximizing machine learning model performance, and its core challenge is sample efficiency: finding strong configurations within…
cs.LG2025
ChemHGNN: A Hierarchical Hypergraph Neural Network for Reaction Virtual Screening and Discovery
Xiaobao Huang, Yihong Ma, Anjali Gurajapu +4
Reaction virtual screening and discovery are fundamental challenges in chemistry and materials science, where traditional graph neural networks (GNNs) struggle to model multi-react…