Du, Weitao

14 publications

ICLRW 2025 Flow Along the K-Amplitude for Generative Modeling Weitao Du, Shuning Chang, Jiasheng Tang, Yu Rong, Fan Wang, Shengchao Liu
AAAI 2025 GDiffRetro: Retrosynthesis Prediction with Dual Graph Enhanced Molecular Representation and Diffusion Generation Shengyin Sun, Wenhao Yu, Yuxiang Ren, Weitao Du, Liwei Liu, Xuecang Zhang, Ying Hu, Chen Ma
NeurIPSW 2024 A Geometric Foundation Model for Crystalline Material Discovery Shengchao Liu, Liang Yan, Weitao Du, Zhuoxinran Li, Zhiling Zheng, Omar M. Yaghi, Christian Borgs, Hongyu Guo, Anima Anandkumar, Jennifer T Chayes
ICLRW 2024 A Multi-Grained Symmetric Differential Equation Model for Learning Protein-Ligand Binding Dynamics Shengchao Liu, Weitao Du, Yanjing Li, Zhuoxinran Li, Vignesh C Bhethanabotla, Nakul Rampal, Omar M. Yaghi, Christian Borgs, Anima Anandkumar, Hongyu Guo, Jennifer T Chayes
ICMLW 2024 Manifold-Constrained Nucleus-Level Denoising Diffusion Model for Structure-Based Drug Design Shengchao Liu, Liang Yan, Weitao Du, Weiyang Liu, Hongyu Guo, Christian Borgs, Jennifer T Chayes, Anima Anandkumar
ICML 2023 A Flexible Diffusion Model Weitao Du, He Zhang, Tao Yang, Yuanqi Du
ICMLW 2023 A Flexible Diffusion Model Weitao Du, He Zhang, Tao Yang, Yuanqi Du
ICML 2023 A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-Modal Pretraining Shengchao Liu, Weitao Du, Zhi-Ming Ma, Hongyu Guo, Jian Tang
NeurIPS 2023 A New Perspective on Building Efficient and Expressive 3D Equivariant Graph Neural Networks Weitao Du, Yuanqi Du, Limei Wang, Dieqiao Feng, Guifeng Wang, Shuiwang Ji, Carla P. Gomes, Zhi-Ming Ma
NeurIPS 2023 Molecule Joint Auto-Encoding: Trajectory Pretraining with 2D and 3D Diffusion Weitao Du, Jiujiu Chen, Xuecang Zhang, Zhi-Ming Ma, Shengchao Liu
NeurIPS 2023 Symmetry-Informed Geometric Representation for Molecules, Proteins, and Crystalline Materials Shengchao Liu, Weitao Du, Yanjing Li, Zhuoxinran Li, Zhiling Zheng, Chenru Duan, Zhi-Ming Ma, Omar Yaghi, Animashree Anandkumar, Christian Borgs, Jennifer Chayes, Hongyu Guo, Jian Tang
ICML 2022 SE(3) Equivariant Graph Neural Networks with Complete Local Frames Weitao Du, He Zhang, Yuanqi Du, Qi Meng, Wei Chen, Nanning Zheng, Bin Shao, Tie-Yan Liu
ICLR 2022 Towards Deepening Graph Neural Networks: A GNTK-Based Optimization Perspective Wei Huang, Yayong Li, Weitao Du, Richard Xu, Jie Yin, Ling Chen, Miao Zhang
IJCAI 2021 On the Neural Tangent Kernel of Deep Networks with Orthogonal Initialization Wei Huang, Weitao Du, Richard Yi Da Xu