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Main Authors: Huang, Haozhe, Cheng, Leo Kaixuan, Chen, Kaiwen, Aspuru-Guzik, Alán
Format: Preprint
Published: 2024
Subjects:
Online Access:https://arxiv.org/abs/2410.03989
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author Huang, Haozhe
Cheng, Leo Kaixuan
Chen, Kaiwen
Aspuru-Guzik, Alán
author_facet Huang, Haozhe
Cheng, Leo Kaixuan
Chen, Kaiwen
Aspuru-Guzik, Alán
contents In machine learning datasets with symmetries, the paradigm for backward compatibility with symmetry-breaking has been to relax equivariant architectural constraints, engineering extra weights to differentiate symmetries of interest. However, this process becomes increasingly over-engineered as models are geared towards specific symmetries/asymmetries hardwired of a particular set of equivariant basis functions. In this work, we introduce symmetry-cloning, a method for inducing equivariance in machine learning models. We show that general machine learning architectures (i.e., MLPs) can learn symmetries directly as a supervised learning task from group equivariant architectures and retain/break the learned symmetry for downstream tasks. This simple formulation enables machine learning models with group-agnostic architectures to capture the inductive bias of group-equivariant architectures.
format Preprint
id arxiv_https___arxiv_org_abs_2410_03989
institution arXiv
publishDate 2024
record_format arxiv
spellingShingle Symmetry From Scratch: Group Equivariance as a Supervised Learning Task
Huang, Haozhe
Cheng, Leo Kaixuan
Chen, Kaiwen
Aspuru-Guzik, Alán
Machine Learning
In machine learning datasets with symmetries, the paradigm for backward compatibility with symmetry-breaking has been to relax equivariant architectural constraints, engineering extra weights to differentiate symmetries of interest. However, this process becomes increasingly over-engineered as models are geared towards specific symmetries/asymmetries hardwired of a particular set of equivariant basis functions. In this work, we introduce symmetry-cloning, a method for inducing equivariance in machine learning models. We show that general machine learning architectures (i.e., MLPs) can learn symmetries directly as a supervised learning task from group equivariant architectures and retain/break the learned symmetry for downstream tasks. This simple formulation enables machine learning models with group-agnostic architectures to capture the inductive bias of group-equivariant architectures.
title Symmetry From Scratch: Group Equivariance as a Supervised Learning Task
topic Machine Learning
url https://arxiv.org/abs/2410.03989