论文与出版物 Two for one: Diffusion models and force fields for coarse-grained molecular dynamics Marloes Arts, Victor Garcia Satorras, Chin-Wei Huang, Daniel Zügner, Marco Federici, Cecilia Clementi, Frank Noé, Rianne van den Berg, Robert Pinsler Journal of Chemical Theory and Computation | February 2023, 第 19 卷(18): pp. 6151-6159
论文与出版物 Re-Evaluating Chemical Synthesis Planning Algorithms Austin Tripp, Krzysztof Maziarz, Sarah Lewis, Guoqing Liu, Marwin Segler NeurIPS 2022 (AI for Science: Progress and Promises Workshop) | December 2022 项目
论文与出版物 Does Momentum Change the Implicit Regularization on Separable Data? Bohan Wang, Qi Meng, Huishuai Zhang, Ruoyu Sun, Wei Chen, Zhi-Ming Ma, Tie-Yan Liu NeurIPS 2022 | November 2022
论文与出版物 BioGPT: Generative Pre-trained Transformer for Biomedical Text Generation and Mining Renqian Luo, Liai Sun, Yingce Xia, Tao Qin, Sheng Zhang, Hoifung Poon, Tie-Yan Liu Briefings in Bioinformatics | November 2022, 第 23 卷(6) Github
论文与出版物 Unsupervised Learning of Group Invariant and Equivariant Representations Robin Winter, Marco Bertolini, Tuan Le, Frank Noé, Djork-Arné Clevert Neural Information Processing Systems | September 2022
论文与出版物 Markov Field Models: scaling molecular kinetics approaches to large molecular machines Tim Hempel, Simon Olsson, Frank Noé September 2022 arXiv | September 2022
论文与出版物 Roadmap on Machine learning in electronic structure Frank Noé Electronic Structure | August 2022, 第 4 卷(2)
论文与出版物 Flow-matching – efficient coarse-graining molecular dynamics without forces Jonas Köhler, Yaoyi Chen, Andreas Krämer, Cecilia Clementi, Frank Noé August 2022 arXiv | August 2022
论文与出版物 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 arXiv | July 2022
论文与出版物 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
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