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 Highly Accurate Real-space Electron Densities with Neural Networks Lixue Cheng, P. Bernát Szabó, Zeno Schätzle, Derk Kooi, Jonas Köhler, K.J.H. Giesbertz, Frank Noé, Jan Hermann, Paola Gori-Giorgi, Adam Foster The Journal of Chemical Physics | September 2024, Vol 162(3): pp. 034120
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
