论文与出版物 Identifying optimal cycles in quantum thermal machines with reinforcement-learning Paolo A. Erdman, Frank Noé npj Quantum Information | January 2022, 第 8 卷
论文与出版物 Mimicking atmospheric photochemical modeling with a deep neural network Jia Xing, Shuxin Zheng, Siwei Li, Lin Huang, Xiaochun Wang, James T Kelly, Shuxiao Wang, Chang Liu, Carey J. Jang, Yun Zhu, Jia Zhang, Jiang Bian, Tie-Yan Liu, Jiming Hao Atmospheric Research | December 2021, 第 265 卷: pp. 105919
论文与出版物 Do Transformers Really Perform Badly for Graph Representation? Chengxuan Ying, Tianle Cai, Shengjie Luo, Shuxin Zheng, Guolin Ke, Di He, Yanming Shen, Tie-Yan Liu NeurIPS 2021 | December 2021 项目
论文与出版物 FS-Mol: A Few-Shot Learning Dataset of Molecules Megan Stanley, John Bronskill, Krzysztof Maziarz, Hubert Misztela, Jessica Lanini, Marwin Segler, Nadine Schneider, Marc Brockschmidt NeurIPS 2021 | December 2021 Github 项目
论文与出版物 Crystal Diffusion Variational Autoencoder for Periodic Material Generation Tian Xie, Xiang Fu, Octavian-Eugen Ganea, Regina Barzilay, Tommi Jaakkola International Conference on Learning Representations | October 2021
论文与出版物 Exploring the Regulatory Function of the N-terminal Domain of SARS-CoV-2 Spike Protein through Molecular Dynamics Simulation Yao Li, Tong Wang, Juanrong Zhang, Bin Shao, Haipeng Gong, Yusong Wang, Xinheng He, Siyuan Liu, Tie-Yan Liu Advanced Theory and Simulations | September 2021 "Top Downloaded Article" Award, Cover Story 项目
论文与出版物 Exploring deep learning for air pollutant emission estimation Lin Huang, Song Liu, Zeyuan Yang, Jia Xing, Jia Zhang, Jiang Bian, Siwei Li, Shovan Kumar Sahu, Shuxiao Wang, Tie-Yan Liu Geoscientific Model Development | July 2021, 第 14 卷(7): pp. 4641-4654
论文与出版物 Complementing sequence-derived features with structural information extracted from fragment libraries for protein structure prediction Siyuan Liu, Qijiang Xu, Tong Wang, Bin Shao, Jian Yin, Tie-Yan Liu BMC Bioinformatics | June 2021, 第 22 卷(1): pp. 351-351
论文与出版物 Machine-learning Nonconservative Dynamics for New Physics Detection Ziming Liu, Bohan Wang, Qi Meng, Wei Chen, Max Tegmark, Tie-Yan Liu Physical Review E | June 2021
论文与出版物 SAMF: a Self-adaptive Protein Modeling Framework Wenze Ding, Qijiang Xu, Siyuan Liu, Tong Wang, Bin Shao, Haipeng Gong, Tie-Yan Liu Bioinformatics | May 2021 项目
微软研究院
微软研究院