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A General Framework for Equivariant Neural Networks on Reductive Lie Groups

About

Reductive Lie Groups, such as the orthogonal groups, the Lorentz group, or the unitary groups, play essential roles across scientific fields as diverse as high energy physics, quantum mechanics, quantum chromodynamics, molecular dynamics, computer vision, and imaging. In this paper, we present a general Equivariant Neural Network architecture capable of respecting the symmetries of the finite-dimensional representations of any reductive Lie Group G. Our approach generalizes the successful ACE and MACE architectures for atomistic point clouds to any data equivariant to a reductive Lie group action. We also introduce the lie-nn software library, which provides all the necessary tools to develop and implement such general G-equivariant neural networks. It implements routines for the reduction of generic tensor products of representations into irreducible representations, making it easy to apply our architecture to a wide range of problems and groups. The generality and performance of our approach are demonstrated by applying it to the tasks of top quark decay tagging (Lorentz group) and shape recognition (orthogonal group).

Ilyes Batatia, Mario Geiger, Jose Munoz, Tess Smidt, Lior Silberman, Christoph Ortner• 2023

Related benchmarks

TaskDatasetResultRank
Molecular property predictionQM9 (test)
mu32
174
3D shape recognitionModelNet10 (test)
Accuracy96.1
64
top taggingTop Tagging Benchmark Dataset
AUC0.987
30
3D shape recognitionModelNet10
Accuracy96.1
23
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