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
Publication Amortized Active Causal Induction with Deep Reinforcement Learning Yashas Annadani, P. Tigas, Stefan Bauer, Adam Foster, Adam Foster NeurIPS 2024 | May 2024
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 Access Project
Publication Token-level Direct Preference Optimization Yongcheng Zeng, Guoqing Liu, Weiyu Ma, Ning Yang, Haifeng Zhang, Jun Wang ICML 2024 | April 2024
Publication Self-Consistency Training for Density-Functional-Theory Hamiltonian Prediction He Zhang, Chang Liu, Zun Wang, Xinran wei, Siyuan Liu, Nanning Zheng, Bin Shao, Tie-Yan Liu ICML 2024 | March 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