NALGQUANT-PHMar 22, 2023

Anti-symmetric Barron functions and their approximation with sums of determinants

arXiv:2303.12856v16 citationsh-index: 16
Originality Highly original
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This provides a theoretical explanation for the effectiveness of determinant-based architectures in ab-initio quantum chemistry, addressing a fundamental challenge in encoding anti-symmetric functions for identical particles.

The paper tackled the problem of approximating anti-symmetric functions in quantum physics by showing that such functions in the Barron space can be efficiently approximated with sums of determinants, achieving a factorial improvement in complexity compared to standard representations.

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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