English

Fermi Sets: Universal and interpretable neural architectures for fermions

Strongly Correlated Electrons 2026-04-21 v2 Materials Science

Abstract

We introduce Fermi Sets, a universal and physically interpretable neural architecture for fermionic many-body wavefunctions. Building on a ``parity-graded'' representation [1], we prove that any continuous fermionic wavefunction on a compact domain can be approximated to arbitrary accuracy by a linear combination of K antisymmetric basis functions--such as pairwise products or Slater determinants--multiplied by symmetric functions. A key result is that the number of required bases is provably small: K=1 suffices in one-dimensional continua (and on lattices in any dimension), K=2 suffices in two dimensions, and in higher dimensions K grows at most linearly with particle number. The antisymmetric bases can be learned by small neural networks, while the symmetric factors are implemented by permutation-invariant networks whose width scales only linearly with particle number. Thus, Fermi Sets achieve universal approximation of fermionic wavefunctions with minimal overhead while retaining clear physical interpretability. As a numerical illustration, a single Fermi Sets model applied to metallic solid hydrogen in three dimensions, trained simultaneously across multiple nuclear geometries, surpasses all diffusion Monte Carlo benchmarks.

Keywords

Cite

@article{arxiv.2601.02508,
  title  = {Fermi Sets: Universal and interpretable neural architectures for fermions},
  author = {Liang Fu},
  journal= {arXiv preprint arXiv:2601.02508},
  year   = {2026}
}

Comments

5 pages

R2 v1 2026-07-01T08:51:41.086Z