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Tess Smidt

  1. Tensor field networks: Rotation- and translation-equivariant neural networks for 3D point clouds
    2018/02/22 by Nathaniel Thomas, Tess Smidt, Thomas, Nathaniel +11 · 2 voices · 120 citations
    Engineering · Computer Science · #cs.LG #cs.AI #cs.CV #cs.NE
  2. E(3)-equivariant graph neural networks for data-efficient and accurate interatomic potentials
    2022/05/04 by Simon Batzner, Albert Musaelian, Lixin Sun +6 · 172 citations
    Biochemistry, Genetics and Molecular Biology · Computer Science · Materials Science · #Machine Learning in Materials Science #Protein Structure and Dynamics #Topic Modeling
  3. EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations
    2023/06/21 by Yi-Lun Liao, Brandon C. Wood, Liao, Yi-Lun +6 · 1 voice · 61 citations
    Computer Science · Materials Science · #Advanced Neural Network Applications #Machine Learning in Materials Science #Topic Modeling #cs.AI #cs.LG #physics.comp-ph
  4. Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs
    2022/06/23 by Yi-Lun Liao, Tess Smidt, Liao, Yi-Lun +1 · 43 citations
    Computer Science · Materials Science · #Advanced Graph Neural Networks #Artificial Intelligence (cs.AI) #Computational Physics (physics.comp-ph) #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (cs.LG) #Machine Learning in Materials Science
  5. e3nn: Euclidean Neural Networks
    2022/07/18 by Mario Geiger, Tess Smidt, Geiger, Mario +1 · 31 citations
    Engineering · Computer Science · #Medical Imaging and Analysis #Neural Networks and Applications #3D Shape Modeling and Analysis
  6. Artificial Intelligence for Science in Quantum, Atomistic, and Continuum Systems
    2023/07/17 by Xuan Zhang, Zhang, Xuan, Limei Wang +123 · 1 voice · 22 citations
    #cs.LG #physics.comp-ph
  7. Sign and Basis Invariant Networks for Spectral Graph Representation Learning
    2022/02/25 by Derek Lim, Joshua A. Robinson, Lim, Derek +11 · 17 citations
    Computer Science · Materials Science · #Advanced Graph Neural Networks #Computational Drug Discovery Methods #FOS: Computer and information sciences #Machine Learning (cs.LG) #Machine Learning (stat.ML) #Machine Learning in Materials Science
  8. SE(3)-equivariant prediction of molecular wavefunctions and electronic\n densities
    2021/06/04 by Oliver T. Unke, Unke, Oliver T., Mihail Bogojeski +9 · 11 citations
    Biochemistry, Genetics and Molecular Biology · Chemistry · Computer Science · Materials Science · #Chemical Physics (physics.chem-ph) #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (stat.ML) #Machine Learning in Materials Science #Protein Structure and Dynamics #Seismology and Earthquake Studies #Topic Modeling #Various Chemistry Research Topics
  9. Quantifying chemical short-range order in metallic alloys
    2023/11/02 by Killian Sheriff, Sheriff, Killian, Yifan Cao +5 · 7 citations
    Earth and Planetary Sciences · Engineering · Materials Science · #Advanced Materials Characterization Techniques #FOS: Physical sciences #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci) #nanoparticles nucleation surface interactions
  10. EquiJump: Protein Dynamics Simulation via SO(3)-Equivariant Stochastic Interpolants
    2024/10/12 by Allan dos Santos Costa, Costa, Allan dos Santos, Ilan Mitnikov +17 · 8 citations
    Computer Science · Biochemistry, Genetics and Molecular Biology · Decision Sciences · #Algorithms and Data Compression #Protein Structure and Dynamics #Scientific Computing and Data Management
  11. A Recipe for Charge Density Prediction
    2024/05/29 by Xiang Fu, Fu, Xiang, Andrew Rosen +13 · 6 citations
    Materials Science · #Computational Physics (physics.comp-ph) #Electron and X-Ray Spectroscopy Techniques #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (cs.LG)
  12. A General Framework for Equivariant Neural Networks on Reductive Lie Groups
    2023/05/31 by Ilyes Batatia, Batatia, Ilyes, Mario Geiger +9 · 4 citations
    Computer Science · Earth and Planetary Sciences · #Computational Physics and Python Applications #FOS: Computer and information sciences #FOS: Physical sciences #High Energy Physics - Theory (hep-th) #Machine Learning (cs.LG) #Machine Learning (stat.ML) #Seismic Imaging and Inversion Techniques #Seismology and Earthquake Studies
  13. Phonon predictions with E(3)-equivariant graph neural networks
    2024/03/17 by Shiang Fang, Mario Geiger, Fang, Shiang +5 · 3 citations
    Materials Science · #Disordered Systems and Neural Networks (cond-mat.dis-nn) #FOS: Physical sciences #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci) #Thermal properties of materials
  14. A Cosmic-Scale Benchmark for Symmetry-Preserving Data Processing
    2024/10/27 by Julia Balla, Balla, Julia, Siddharth Mishra-Sharma +7 · 1 voice · 3 citations
    Computer Science · Physics and Astronomy · #Advanced Mathematical Theories and Applications #Dark Matter and Cosmic Phenomena #Parallel Computing and Optimization Techniques #astro-ph.IM #cs.LG
  15. Symphony: Symmetry-Equivariant Point-Centered Spherical Harmonics for 3D Molecule Generation
    2023/11/27 by Ameya Daigavane, Song Eun Kim, Daigavane, Ameya +5 · 2 citations
    Biochemistry, Genetics and Molecular Biology · Materials Science · Physics and Astronomy · #Biomolecules (q-bio.BM) #FOS: Biological sciences #FOS: Computer and information sciences #Machine Learning (cs.LG) #Machine Learning in Materials Science #Protein Structure and Dynamics #Scientific Research and Discoveries
  16. Graph Partitioning and Sparse Matrix Ordering using Reinforcement Learning and Graph Neural Networks
    2021/04/08 by Alice Gatti, Gatti, Alice, Zhixiong Hu +7 · 1 citation
    Engineering · Computer Science · #VLSI and FPGA Design Techniques #Advanced Graph Neural Networks #Graph Theory and Algorithms
  17. Deep Learning and Spectral Embedding for Graph Partitioning
    2021/10/16 by Alice Gatti, Zhixiong Hu, Gatti, Alice +7 · 1 citation
    Computer Science · Engineering · #Advanced Graph Neural Networks #VLSI and FPGA Design Techniques #Graph Theory and Algorithms
  18. Accelerating Protein Molecular Dynamics Simulation with DeepJump
    2025/09/16 by Allan dos Santos Costa, Costa, Allan dos Santos, Manvitha Ponnapati +6 · 5 citations
    Biochemistry, Genetics and Molecular Biology · Computer Science · Decision Sciences · #Biomolecules (q-bio.BM) #Distributed and Parallel Computing Systems #FOS: Biological sciences #FOS: Computer and information sciences #Machine Learning (cs.LG) #Protein Structure and Dynamics #Scientific Computing and Data Management
  19. Ophiuchus: Scalable Modeling of Protein Structures through Hierarchical Coarse-graining SO(3)-Equivariant Autoencoders
    2023/10/04 by Allan dos Santos Costa, Costa, Allan dos Santos, Ilan Mitnikov +9 · 2 citations
    Biochemistry, Genetics and Molecular Biology · #Bioinformatics and Genomic Networks #FOS: Computer and information sciences #Gene expression and cancer classification #Machine Learning (cs.LG) #Protein Structure and Dynamics
  20. Reconstructing local environments from concise atomistic representations
    2026/07/22 by Jigyasa Nigam, Tuong Phung, Ameya Daigavane +2 · 1 citation
    #physics.comp-ph #physics.chem-ph
  21. Rotational equivariance and locality in data-driven subgrid-scale closures
    2026/07/29 by Ryley McConkey, Julia Balla, Elyssa Hofgard +2
    Physics and Astronomy · #physics.flu-dyn #physics.comp-ph
  22. Learning Lattice Parameters from Powder X-Ray Diffraction Data Using Invariants
    2026/07/23 by Elyssa Hofgard, Kyucheol Min, Nofit Segal +7
    #physics.comp-ph #cond-mat.mtrl-sci