A topological approach to exploring convolutional neural networks. - Yang Zhao 016; Hao Zhang 005 (CoRR, 2020)

Quantitative Effectiveness Assessment and Role Categorization of Individual Units in Convolutional Neural Networks. - Yang Zhao 016; Hao Zhang 005 (CoRR, 2021)

Analyzing and Quantifying Generalization in Convolutional Neural Networks. - Yang Zhao 016; Hao Zhang 005 (CoRR, 2021)

Neighborhood Region Smoothing Regularization for Finding Flat Minima in Deep Neural Networks. - Yang Zhao 016; Hao Zhang 005 (ACCV (1), 2022)

Quantitative Performance Assessment of CNN Units via Topological Entropy Calculation. - Yang Zhao 016; Hao Zhang 005 (ICLR, 2022)

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)

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)

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