Papers › Relaxed Equivariant Graph Neural Networks

Relaxed Equivariant Graph Neural Networks

30 Jul 2024arXiv:2407.20471archive 2025-07-28

Elyssa Hofgard, Rui Wang, Robin Walters, Tess Smidt

3D Euclidean symmetry equivariant neural networks have demonstrated notable success in modeling complex physical systems. We introduce a framework for relaxed E(3) graph equivariant neural networks that can learn and represent symmetry breaking within continuous groups. Building on the existing e3nn framework, we propose the use of relaxed weights to allow for controlled symmetry breaking. We show empirically that these relaxed weights learn the correct amount of symmetry breaking.

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setup_geom atomicarchitects/RelaxedE3NN/utils.py official repository unverified MIT (permissive) · 0d583dfc86db7c07 · report
tp_path_exists atomicarchitects/RelaxedE3NN/models/electric_field_model/gate_points_message_passing_relaxed.py official repository unverified MIT (permissive) · e4dd03cfd217a43c · report

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