Publication Ab initio characterization of protein molecular dynamics with AI2BMD Tong Wang, Xinheng He, Mingyu Li, Yatao Li, Ran Bi, Yusong Wang, Chaoran Cheng, Xiangzhen Shen, Jiawei Meng, He Zhang, Haiguang Liu, Zun Wang, Shaoning Li, Bin Shao, Tie-Yan Liu Nature | November 2024
Publication Physical Consistency Bridges Heterogeneous Data in Molecular Multi-Task Learning Yuxuan Ren, Dihan Zheng, Chang Liu, Peiran Jin, Yu Shi, Lin Huang, Jiyan He, Shengjie Luo, Tao Qin, Tie-Yan Liu 2024 Neural Information Processing Systems | October 2024
Publication Neural P$^3$M: A Long-Range Interaction Modeling Enhancer for Geometric GNNs Yusong Wang, Chaoran Cheng, Shaoning Li, Yuxuan Ren, Bin Shao, Ge Liu, Pheng-Ann Heng, Nanning Zheng NeurIPS 2024 | September 2024
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 A Generative Approach to Control Complex Physical Systems Long Wei, Peiyan Hu, Ruiqi Feng, Haodong Feng, Yixuan Du, Tao Zhang, Rui Wang, Yue Wang, Zhi-Ming Ma, Tailin Wu NeurIPS 2024 | July 2024
Publication GeoMFormer: A General Architecture for Geometric Molecular Representation Learning Tianlang Chen, Shengjie Luo, Di He, Shuxin Zheng, Tie-Yan Liu, Liwei Wang ICML 2024 | June 2024
Publication Approximately Equivariant Neural Processes Matthew Ashman, Cristiana-Diana Diaconu, Adrian Weller, Wessel Bruinsma, Richard Turner NeurIPS 2024 | June 2024
Publication Noise-Aware Differentially Private Regression via Meta-Learning Ossi Räisä, Stratis Markou, Matthew Ashman, Wessel Bruinsma, Marlon Tobaben, Antti Honkela, Richard Turner NeurIPS 2024 | June 2024
Publication Variational Flow Matching for Graph Generation Floor Eijkelboom, Grigory Bartosh, C. A. Naesseth, Max Welling, Jan-Willem van de Meent NeurIPS 2024 | June 2024
Publication Infusing Self-Consistency into Density Functional Theory Hamiltonian Prediction via Deep Equilibrium Models Zun Wang, Chang Liu, Nianlong Zou, He Zhang, Xinran wei, Lin Huang, Lijun Wu, Bin Shao NeurIPS 2024 | June 2024
