Poster
in
Workshop: AI for Science
Universal Antisymmetry in Fermionic Neural Networks
Tianyu Pang · Shuicheng Yan · Min Lin
Abstract:
Fermionic neural network (FermiNet) is a recently proposed wavefunction Ansatz, which is used in variational Monte Carlo (VMC) methods to solve the many-electron Schr\"{o}dinger equation. FermiNet proposes permutation-equivariant architectures, on which a Slater determinant is applied to induce antisymmetry. FermiNet is proved to have universal approximation capability with a single determinant, namely, it suffices to represent any antisymmetric function given sufficient parameters. However, the asymptotic computational bottleneck comes from the Slater determinant, which scales with for electrons. In this paper, we substitute the Slater determinant with a pairwise antisymmetry construction, which is easy to implement and can reduce the computational cost to . Furthermore, we formally prove that the pairwise construction built upon permutation-equivariant architectures can universally represent any antisymmetric function.
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