A FIPP p-cycle configuration algorithm with SRLG constraints in the optical mesh network. - Run-ze Wu; Xiuyuan Hu; Bin Li; Liangrui Tang (IC-NIDC, 2012)

Penalizing Gradient Norm for Efficiently Improving Generalization in Deep Learning. - Yang Zhao 016; Hao Zhang 005; Xiuyuan Hu (ICML, 2022)

SS-SAM : Stochastic Scheduled Sharpness-Aware Minimization for Efficiently Training Deep Neural Networks. - Yang Zhao 016; Hao Zhang 005; Xiuyuan Hu (CoRR, 2022)

De novo Drug Design against SARS-CoV-2 Protein Targets using SMILES-based Deep Reinforcement Learning. - Xiuyuan Hu; Yanghepu Li; Guoqing Liu; Yang Zhao 016; Hao Zhang 005; Liang Zhao 013 (ICIT, 2023)

De novo Drug Design using Reinforcement Learning with Multiple GPT Agents. - Xiuyuan Hu; Guoqing Liu; Yang Zhao 016; Hao Zhang 005 (NeurIPS, 2023)

Role Taxonomy of Units in Deep Neural Networks. - Yang Zhao 016; Hao Zhang 005; Xiuyuan Hu (UniReps, 2023)

When Will Gradient Regularization Be Harmful? - Yang Zhao 016; Hao Zhang 005; Xiuyuan Hu (ICML, 2024)

Empirical Evidence for the Fragment level Understanding on Drug Molecular Structure of LLMs. - Xiuyuan Hu; Guoqing Liu; Yang Zhao; Hao Zhang (CoRR, 2024)

Hamiltonian diversity: effectively measuring molecular diversity by shortest Hamiltonian circuits. - Xiuyuan Hu; Guoqing Liu; Quanming Yao; Yang Zhao 016; Hao Zhang 005 (J. Cheminformatics, 2024)

3DMolFormer: A Dual-channel Framework for Structure-based Drug Discovery. - Xiuyuan Hu; Guoqing Liu; Can Chen 005; Yang Zhao 016; Hao Zhang 005; Xue Liu 001 (ICLR, 2025)

TransDiffSBDD: Causality-Aware Multi-Modal Structure-Based Drug Design. - Xiuyuan Hu; Guoqing Liu; Can Chen 005; Yang Zhao 016; Hao Zhang 005; Xue Liu 001 (CoRR, 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 (CoRR, 2025)

Leveraging Reference Documents for Zero-Shot Ranking via Large Language Models. - Jieran Li; Xiuyuan Hu; Yang Zhao; Shengyao Zhuang; Hao Zhang (CoRR, 2025)

Activity cliff-aware reinforcement learning for de novo drug design. - Xiuyuan Hu; Guoqing Liu; Yang Zhao 016; Hao Zhang 005 (J. Cheminformatics, 2025)