Smidt, Tess

25 publications

NeurIPS 2025 A Tale of Two Symmetries: Exploring the Loss Landscape of Equivariant Models YuQing Xie, Tess Smidt

ICLRW 2025 Detecting Symmetry-Breaking in Molecular Data Distributions Hannah Lawrence, Elyssa Hofgard, Yuxuan Chen, Tess Smidt, Robin Walters

ICLRW 2025 Direct Prediction of Tensorial Properties with Equivariant Message-Passing: Applications to Nonlinear Optics Peter R. Miedaner, Kin Long Kelvin Lee, Shiang Fang, Tess Smidt, Keith Nelson

ICLRW 2025 EquiJump: Protein Dynamics Simulation via SO(3)-Equivariant Stochastic Interpolants Allan Dos Santos Costa, Ilan Mitnikov, Franco Pellegrini, Ameya Daigavane, Mario Geiger, Zhonglin Cao, Karsten Kreis, Tess Smidt, Emine Kucukbenli, Joseph Jacobson

ICML 2025 The Price of Freedom: Exploring Expressivity and Runtime Tradeoffs in Equivariant Tensor Products Yuqing Xie, Ameya Daigavane, Mit Kotak, Tess Smidt

NeurIPSW 2024 A Cosmic-Scale Benchmark for Symmetry-Preserving Data Processing Julia Balla, Siddharth Mishra-Sharma, Carolina Cuesta-Lazaro, Tommi Jaakkola, Tess Smidt

NeurIPS 2024 A Recipe for Charge Density Prediction Xiang Fu, Andrew Rosen, Kyle Bystrom, Rui Wang, Albert Musaelian, Boris Kozinsky, Tess Smidt, Tommi Jaakkola

ICMLW 2024 A Recipe for Charge Density Prediction Xiang Fu, Andrew Scott Rosen, Kyle Bystrom, Rui Wang, Albert Musaelian, Boris Kozinsky, Tess Smidt, Tommi Jaakkola

ICML 2024 Discovering Symmetry Breaking in Physical Systems with Relaxed Group Convolution Rui Wang, Elyssa Hofgard, Han Gao, Robin Walters, Tess Smidt

ICLR 2024 EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations Yi-Lun Liao, Brandon M Wood, Abhishek Das, Tess Smidt

TMLR 2024 Equivariant Symmetry Breaking Sets YuQing Xie, Tess Smidt

TMLR 2024 Generalizing Denoising to Non-Equilibrium Structures Improves Equivariant Force Fields Yi-Lun Liao, Tess Smidt, Muhammed Shuaibi, Abhishek Das

ICLRW 2024 Ophiuchus: Scalable Modeling of Protein Structures Through Hierarchical Coarse-Graining SO(3)-Equivariant Autoencoders Allan Dos Santos Costa, Ilan Mitnikov, Mario Geiger, Manvitha Ponnapati, Tess Smidt, Joseph Jacobson

ICMLW 2024 Relaxed Equivariant Graph Neural Networks Elyssa Hofgard, Rui Wang, Robin Walters, Tess Smidt

ICLR 2024 Symphony: Symmetry-Equivariant Point-Centered Spherical Harmonics for 3D Molecule Generation Ameya Daigavane, Song Eun Kim, Mario Geiger, Tess Smidt

ICMLW 2024 The Price of Freedom: Exploring Tradeoffs Between Expressivity and Computational Efficiency in Equivariant Tensor Products YuQing Xie, Ameya Daigavane, Mit Kotak, Tess Smidt

NeurIPS 2023 A General Framework for Equivariant Neural Networks on Reductive Lie Groups Ilyes Batatia, Mario Geiger, Jose Munoz, Tess Smidt, Lior Silberman, Christoph Ortner

ICLR 2023 Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs Yi-Lun Liao, Tess Smidt

NeurIPSW 2023 Phonon Predictions with E(3)-Equivariant Graph Neural Networks Shiang Fang, Mario Geiger, Joseph Checkelsky, Tess Smidt

NeurIPSW 2023 Relaxed Octahedral Group Convolution for Learning Symmetry Breaking in 3D Physical Systems Rui Wang, Robin Walters, Tess Smidt

ICLR 2023 Sign and Basis Invariant Networks for Spectral Graph Representation Learning Derek Lim, Joshua David Robinson, Lingxiao Zhao, Tess Smidt, Suvrit Sra, Haggai Maron, Stefanie Jegelka

ICML 2022 Generative Coarse-Graining of Molecular Conformations Wujie Wang, Minkai Xu, Chen Cai, Benjamin K Miller, Tess Smidt, Yusu Wang, Jian Tang, Rafael Gomez-Bombarelli

JMLR 2022 Graph Partitioning and Sparse Matrix Ordering Using Reinforcement Learning and Graph Neural Networks Alice Gatti, Zhixiong Hu, Tess Smidt, Esmond G. Ng, Pieter Ghysels

ICLRW 2022 Sign and Basis Invariant Networks for Spectral Graph Representation Learning Derek Lim, Joshua David Robinson, Lingxiao Zhao, Tess Smidt, Suvrit Sra, Haggai Maron, Stefanie Jegelka

NeurIPS 2021 SE(3)-Equivariant Prediction of Molecular Wavefunctions and Electronic Densities Oliver Unke, Mihail Bogojeski, Michael Gastegger, Mario Geiger, Tess Smidt, Klaus-Robert Müller