← all papers · overview

Symmetry-Protected Basin Localization in Variational Quantum Eigensolvers

Abstract

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 P_eq:R↦θ₀ constrained by the 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, P_eq reduces Hartree--Fock initialization errors by factors of 38×--6250×, reaches sub-mHa initialization in CO, LiH, and H₈, and places N₂, H₂O, and BeH₂ in the mHa-scale correlated basin. In disordered H₁₀ 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.

Related papers

Ranked by semantic similarity — how closely each paper's abstract matches this one (100% = near-identical topic).