1 code implementation • 25 Mar 2024 • Kaipeng Zeng, Bo Yang, Xin Zhao, Yu Zhang, Fan Nie, Xiaokang Yang, Yaohui Jin, Yanyan Xu
Single-step retrosynthesis prediction, a crucial step in the planning process, has witnessed a surge in interest in recent years due to advancements in AI for science.
no code implementations • 17 Jan 2024 • Nianzu Yang, Kaipeng Zeng, Haotian Lu, Yexin Wu, Zexin Yuan, Shengdian Jiang, Jiaxiang Wu, Yimin Wang, Junchi Yan
Neuronal morphology is essential for studying brain functioning and understanding neurodegenerative disorders.
no code implementations • 10 Oct 2023 • Qitian Wu, Chenxiao Yang, Kaipeng Zeng, Fan Nie, Michael Bronstein, Junchi Yan
Graph diffusion equations are intimately related to graph neural networks (GNNs) and have recently attracted attention as a principled framework for analyzing GNN dynamics, formalizing their expressive power, and justifying architectural choices.
no code implementations • 18 Feb 2022 • Nianzu Yang, Huaijin Wu, Kaipeng Zeng, Yang Li, Junchi Yan
Machine learning, particularly graph learning, is gaining increasing recognition for its transformative impact across various fields.