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Efficient anti-symmetrization of a neural network layer by taming the sign problem

Machine Learning 2023-09-08 v2 Numerical Analysis Numerical Analysis Quantum Physics

Abstract

Explicit antisymmetrization of a neural network is a potential candidate for a universal function approximator for generic antisymmetric functions, which are ubiquitous in quantum physics. However, this procedure is a priori factorially costly to implement, making it impractical for large numbers of particles. The strategy also suffers from a sign problem. Namely, due to near-exact cancellation of positive and negative contributions, the magnitude of the antisymmetrized function may be significantly smaller than before anti-symmetrization. We show that the anti-symmetric projection of a two-layer neural network can be evaluated efficiently, opening the door to using a generic antisymmetric layer as a building block in anti-symmetric neural network Ansatzes. This approximation is effective when the sign problem is controlled, and we show that this property depends crucially the choice of activation function under standard Xavier/He initialization methods. As a consequence, using a smooth activation function requires re-scaling of the neural network weights compared to standard initializations.

Keywords

Cite

@article{arxiv.2205.12250,
  title  = {Efficient anti-symmetrization of a neural network layer by taming the sign problem},
  author = {Nilin Abrahamsen and Lin Lin},
  journal= {arXiv preprint arXiv:2205.12250},
  year   = {2023}
}

Comments

To appear in JML, ISSN: 2790-2048(e), 2790-203X(p)