Anti-symmetric Barron functions and their approximation with sums of determinants
Nilin Abrahamsen, Lin Lin

TL;DR
This paper demonstrates that anti-symmetric functions in the Barron space can be efficiently approximated using sums of determinants, offering a factorial complexity improvement and explaining the success of determinant-based neural architectures in quantum chemistry.
Contribution
The paper introduces a novel approximation method for anti-symmetric Barron functions using sums of determinants, providing theoretical complexity improvements.
Findings
Efficient approximation of anti-symmetric functions with sums of determinants.
Factorial reduction in complexity over standard Barron space representations.
Theoretical justification for determinant-based architectures in quantum chemistry.
Abstract
A fundamental problem in quantum physics is to encode functions that are completely anti-symmetric under permutations of identical particles. The Barron space consists of high-dimensional functions that can be parameterized by infinite neural networks with one hidden layer. By explicitly encoding the anti-symmetric structure, we prove that the anti-symmetric functions which belong to the Barron space can be efficiently approximated with sums of determinants. This yields a factorial improvement in complexity compared to the standard representation in the Barron space and provides a theoretical explanation for the effectiveness of determinant-based architectures in ab-initio quantum chemistry.
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Taxonomy
TopicsMachine Learning in Materials Science · Computational Drug Discovery Methods · Neural Networks and Applications
