Hu, Xiuyuan

6 publications

ICLR 2025 3DMolFormer: A Dual-Channel Framework for Structure-Based Drug Discovery Xiuyuan Hu, Guoqing Liu, Can Chen, Yang Zhao, Hao Zhang, Xue Liu

ICLRW 2025 Accelerating High-Efficiency Organic Photovoltaic Discovery via Pretrained Graph Neural Networks and Generative Reinforcement Learning Jiangjie Qiu, Hou Hei Lam, Xiuyuan Hu, Wentao Li, Siwei Fu, Fankun Zeng, Hao Zhang, Xiaonan Wang

ICML 2024 When Will Gradient Regularization Be Harmful? Yang Zhao, Hao Zhang, Xiuyuan Hu

NeurIPS 2023 De Novo Drug Design Using Reinforcement Learning with Multiple GPT Agents Xiuyuan Hu, Guoqing Liu, Yang Zhao, Hao Zhang

NeurIPSW 2023 Role Taxonomy of Units in Deep Neural Networks Yang Zhao, Hao Zhang, Xiuyuan Hu

ICML 2022 Penalizing Gradient Norm for Efficiently Improving Generalization in Deep Learning Yang Zhao, Hao Zhang, Xiuyuan Hu