Publication Unsupervised Learning of Group Invariant and Equivariant Representations Robin Winter, Marco Bertolini, Tuan Le, Frank Noé, Djork-Arné Clevert 2022 Neural Information Processing Systems | September 2022
Publication Markov Field Models: scaling molecular kinetics approaches to large molecular machines Tim Hempel, Simon Olsson, Frank Noé September 2022
Publication Roadmap on Machine learning in electronic structure Frank Noé Electronic Structure | August 2022, Vol 4(2)
Publication Flow-matching – efficient coarse-graining molecular dynamics without forces Jonas Köhler, Yaoyi Chen, Andreas Krämer, Cecilia Clementi, Frank Noé August 2022
Publication Pareto-optimal cycles for power, efficiency and fluctuations of quantum heat engines using reinforcement learning Paolo Andrea Erdman, Alberto Rolandi, Paolo Abiuso, Martí Perarnau-Llobet, Frank Noé July 2022
Publication SE(3) Equivariant Graph Neural Networks with Complete Local Frames weitao du, He Zhang, Yuanqi Du, Qi Meng, Wei Chen, Tie-Yan Liu, Nanning Zheng, Bin Shao ICML 2022 | July 2022
Publication Unified 2D and 3D Pre-Training of Molecular Representations Jinhua Zhu, Yingce Xia, Lijun Wu, Shufang Xie, Tao Qin, Wengang Zhou, Houqiang Li, Tie-Yan Liu KDD 2022 | July 2022
Publication Rapid Inference of Nitrogen Oxide Emissions Based on a Top-Down Method with a Physically Informed Variational Autoencoder Jia Xing, Siwei Li, Shuxin Zheng, Chang Liu, Xiaochun Wang, Lin Huang, Ge Song, Yihan He, Shuxiao Wang, Shovan Kumar Sahu, Jia Zhang, Jiang Bian, Yun Zhu, Tie-Yan Liu, Jiming Hao Environmental Science & Technology | July 2022, Vol 56(14): pp. 9903-9914
Publication Development of a Permeability Reduction Model Using Deep Learning for CO2 Hydrate Storage Alan Junji Yamaguchi, Toru Sato, Takaomi Tobase, Xinran wei, Lin Huang, Jia Zhang, Jiang Bian, Tie-Yan Liu OMAE 2022 | June 2022
Publication An Efficient Lorentz Equivariant Graph Neural Network for Jet Tagging Shiqi Gong, Qi Meng, Jue Zhang, Huilin Qu, Congqiao Li, Sitian Qian, Weitao Du, Zhi-Ming Ma, Tie-Yan Liu May 2022
