Stable Recovery of Matrix Gauge Classes from Pointwise Invariants

Abstract

A parameterized matrix family $x\mapsto H(x)$ on a configuration domain is determined by its physical content only up to a constant orthogonal change of basis. This gauge ambiguity is intrinsic to data-driven Hamiltonian models, such as tight-binding parameterizations, reduced-order electronic structure methods, or excited-state models. It raises a basic inverse problem: what observations of $H(x)$ suffice to identify the family up to this gauge? The pointwise spectrum is incomplete already for linear families on $\mathbb{R}$. Here, we prove that, under natural non-degeneracy and connectivity assumptions, augmenting the spectrum with loop products of the coupling matrices in the instantaneous eigenframe yields a complete invariant and that inversion is stable. We support the theory with numerical experiments.

42 pages, 2 figures