中文

Symmetry-Protected Basin Localization in Variational Quantum Eigensolvers

量子物理 2026-05-12 v1

摘要

Variational quantum eigensolvers fail before optimization begins when strong correlation splits the molecular energy landscape into competing basins and the initial state selects a non-ground-state basin. We introduce a geometry-conditioned preconditioner Peq:Rθ0\mathcal{P}_{\mathrm{eq}}:\mathbf{R}\mapsto\boldsymbol{\theta}_0 constrained by the SE(3)SE(3) covariance of the molecular Hamiltonian, so that nuclear geometry is mapped directly into circuit parameters in the correlated ground-state basin. This basin localization changes the relevant gradient statistics from concentration controlled to curvature controlled. In statevector benchmarks on six stretched molecules, Peq\mathcal{P}_{\mathrm{eq}} reduces Hartree--Fock initialization errors by factors of 38×38\times--6250×6250\times, reaches sub-mHa initialization in CO, LiH, and H8_8, and places N2_2, H2_2O, and BeH2_2 in the mHa-scale correlated basin. In disordered H10_{10} chains, equivariant basin targeting and stochastic escape reach unit success probability at fixed optimization budget. The procedure performs basin selection before the shot-limited quantum loop; the quantum circuit then refines correlation inside the selected basin.

引用

@article{arxiv.2605.09909,
  title  = {Symmetry-Protected Basin Localization in Variational Quantum Eigensolvers},
  author = {Yangshuai Wang},
  journal= {arXiv preprint arXiv:2605.09909},
  year   = {2026}
}