Equivariance-aware Architectural Optimization of Neural Networks
Kaitlin Maile, Dennis G. Wilson, Patrick Forr\'e

TL;DR
This paper introduces methods for optimizing neural network architectures to incorporate approximate equivariance, using reparameterization and mixed group constraints, improving performance on symmetry-related tasks.
Contribution
It presents the equivariance relaxation morphism and [G]-mixed equivariant layers, enabling flexible and optimized equivariance constraints within neural network architectures.
Findings
Dynamic equivariance constraints improve architecture performance.
Proposed NAS algorithms effectively optimize equivariance in models.
Experiments demonstrate benefits of approximate equivariance in various datasets.
Abstract
Incorporating equivariance to symmetry groups as a constraint during neural network training can improve performance and generalization for tasks exhibiting those symmetries, but such symmetries are often not perfectly nor explicitly present. This motivates algorithmically optimizing the architectural constraints imposed by equivariance. We propose the equivariance relaxation morphism, which preserves functionality while reparameterizing a group equivariant layer to operate with equivariance constraints on a subgroup, as well as the [G]-mixed equivariant layer, which mixes layers constrained to different groups to enable within-layer equivariance optimization. We further present evolutionary and differentiable neural architecture search (NAS) algorithms that utilize these mechanisms respectively for equivariance-aware architectural optimization. Experiments across a variety of datasets…
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Taxonomy
TopicsNeural Networks and Applications · Machine Learning in Materials Science · Advanced Neural Network Applications
