Publication LordNet: An efficient neural network for learning to solve parametric partial differential equations without simulated data Xinquan Huang, Wenlei Shi, Xiaotian Gao, Xinran wei, Jia Zhang, Jiang Bian, Mao Yang, Tie-Yan Liu Neural Networks | August 2024
Publication Aurora: A Foundation Model of the Atmosphere Cristian Bodnar, Wessel Bruinsma, Ana Lucic, Megan Stanley, Johannes Brandstetter, Patrick Garvan, Maik Riechert, Jonathan Weyn, Haiyu Dong, Anna Vaughan, Jayesh Gupta, Kit Tambiratnam, Alex Archibald, Elizabeth Heider, Max Welling, Richard Turner, Paris Perdikaris MSR-TR-2024-16 | May 2024 Published by Microsoft Research AI for Science
Publication MatterSim: A Deep Learning Atomistic Model Across Elements, Temperatures and Pressures Han Yang, Chenxi Hu, Yichi Zhou, Xixian Liu, Yu Shi, Jielan Li, Guanzhi Li, Zekun Chen, Shuizhou Chen, Claudio Zeni, Matthew Horton, Robert Pinsler, Andrew Fowler, Daniel Zügner, Tianyidan Xie, Jake Smith, Lixin Sun, Qian Wang, Lingyu Kong, Chang Liu, Hongxia Hao, Ziheng Lu May 2024
Publication Token-level Direct Preference Optimization Yongcheng Zeng, Guoqing Liu, Weiyu Ma, Ning Yang, Haifeng Zhang, Jun Wang ICML 2024 | April 2024
Publication Overcoming the barrier of orbital-free density functional theory for molecular systems using deep learning He Zhang, Siyuan Liu, Jiacheng You, Chang Liu, Shuxin Zheng, Ziheng Lu, Tong Wang, Nanning Zheng, Bin Shao Nature Computational Science | March 2024
Publication Enhancing geometric representations for molecules with equivariant vector-scalar interactive message passing Yusong Wang, Tong Wang, Shaoning Li, Xinheng He, Mingyu Li, Zun Wang, Nanning Zheng, Bin Shao, Tie-Yan Liu Nature Communications | January 2024, Vol 15(313)
Publication CREaTor: zero-shot cis-regulatory pattern modeling with attention mechanisms. Genome Biology Yongge Li, Fusong Ju, Zhiyuan Chen, Yiming Qu, Huanhuan Xia, Liang He, Jianwei Zhu, Lijun Wu, Bin Shao, Pan Deng Genome biology | November 2023
Publication Re-evaluating Retrosynthesis Algorithms with Syntheseus Krzysztof Maziarz, Austin Tripp, Guoqing Liu, Megan Stanley, Shufang Xie, Piotr Gaiński, Philipp Seidl, Marwin Segler October 2023
Publication MOFDiff: Coarse-grained Diffusion for Metal-Organic Framework Design Xiang Fu, Tian Xie, Andrew S. Rosen, Tommi Jaakkola, Jake Smith ICLR 2024 | October 2023 Github
Publication Towards Predicting Equilibrium Distributions for Molecular Systems with Deep Learning Shuxin Zheng, Jiyan He, Chang Liu, Yu Shi, Ziheng Lu, Weitao Feng, Fusong Ju, Jiaxi Wang, Jianwei Zhu, Yaosen Min, He Zhang, Shidi Tang, Hongxia Hao, Peiran Jin, Chi Chen, Frank Noé, Haiguang Liu, Tie-Yan Liu June 2023 Video
