Xiuyuan Hu

20 papers A* 5Journal 12Unranked 3
YearRankTypeTitle / Venue / Authors
2026 A* conf
CycleChemist: A Dual-Pronged Machine Learning Framework for Organic Photovoltaic Discovery.
AAAI
Hou Hei Lam, Jiangjie Qiu, Xiuyuan Hu, Wentao Li, Fankun Zeng, Siwei Fu, Hao Zhang, Xiaonan Wang
2025 A* conf
3DMolFormer: A Dual-channel Framework for Structure-based Drug Discovery.
ICLR
Xiuyuan Hu, Guoqing Liu, Can Chen, Yang Zhao, Hao Zhang, Xue Liu
2025 J jnl
3DMolFormer: A Dual-channel Framework for Structure-based Drug Discovery.
CoRR
Xiuyuan Hu, Guoqing Liu, Can Chen, Yang Zhao, Hao Zhang, Xue Liu
2025 J jnl
Accelerating High-Efficiency Organic Photovoltaic Discovery via Pretrained Graph Neural Networks and Generative Reinforcement Learning.
CoRR
Jiangjie Qiu, Hou Hei Lam, Xiuyuan Hu, Wentao Li, Siwei Fu, Fankun Zeng, Hao Zhang, Xiaonan Wang
2025 J jnl
Activity cliff-aware reinforcement learning for de novo drug design.
J. Cheminformatics
Xiuyuan Hu, Guoqing Liu, Yang Zhao, Hao Zhang
2025 J jnl
CycleChemist: A Dual-Pronged Machine Learning Framework for Organic Photovoltaic Discovery.
CoRR
Hou Hei Lam, Jiangjie Qiu, Xiuyuan Hu, Wentao Li, Fankun Zeng, Siwei Fu, Hao Zhang, Xiaonan Wang
2025 J jnl
Leveraging Reference Documents for Zero-Shot Ranking via Large Language Models.
CoRR
Jieran Li, Xiuyuan Hu, Yang Zhao, Shengyao Zhuang, Hao Zhang
2025 J jnl
TransDiffSBDD: Causality-Aware Multi-Modal Structure-Based Drug Design.
CoRR
Xiuyuan Hu, Guoqing Liu, Can Chen, Yang Zhao, Hao Zhang, Xue Liu
2024 J jnl
De novo Drug Design using Reinforcement Learning with Multiple GPT Agents.
CoRR
Xiuyuan Hu, Guoqing Liu, Yang Zhao, Hao Zhang
2024 J jnl
Empirical Evidence for the Fragment level Understanding on Drug Molecular Structure of LLMs.
CoRR
Xiuyuan Hu, Guoqing Liu, Yang Zhao, Hao Zhang
2024 J jnl
Hamiltonian diversity: effectively measuring molecular diversity by shortest Hamiltonian circuits.
J. Cheminformatics
Xiuyuan Hu, Guoqing Liu, Quanming Yao, Yang Zhao, Hao Zhang
2024 A* conf
When Will Gradient Regularization Be Harmful?
ICML
Yang Zhao, Hao Zhang, Xiuyuan Hu
2024 J jnl
When Will Gradient Regularization Be Harmful?
CoRR
Yang Zhao, Hao Zhang, Xiuyuan Hu
2023 — conf
De novo Drug Design against SARS-CoV-2 Protein Targets using SMILES-based Deep Reinforcement Learning.
ICIT
Xiuyuan Hu, Yanghepu Li, Guoqing Liu, Yang Zhao, Hao Zhang, Liang Zhao
2023 A* conf
De novo Drug Design using Reinforcement Learning with Multiple GPT Agents.
NeurIPS
Xiuyuan Hu, Guoqing Liu, Yang Zhao, Hao Zhang
2023 — conf
Role Taxonomy of Units in Deep Neural Networks.
UniReps
Yang Zhao, Hao Zhang, Xiuyuan Hu
2022 A* conf
Penalizing Gradient Norm for Efficiently Improving Generalization in Deep Learning.
ICML
Yang Zhao, Hao Zhang, Xiuyuan Hu
2022 J jnl
Penalizing Gradient Norm for Efficiently Improving Generalization in Deep Learning.
CoRR
Yang Zhao, Hao Zhang, Xiuyuan Hu
2022 J jnl
SS-SAM : Stochastic Scheduled Sharpness-Aware Minimization for Efficiently Training Deep Neural Networks.
CoRR
Yang Zhao, Hao Zhang, Xiuyuan Hu
2012 — conf
A FIPP p-cycle configuration algorithm with SRLG constraints in the optical mesh network.
IC-NIDC
Run-ze Wu, Xiuyuan Hu, Bin Li, Liangrui Tang