Year: 2024
Type: article
Abstract: Stochastic analytic continuation (SAC) of quantum Monte Carlo (QMC) imaginary-time correlation function data is a valuable tool in connecting many-body models to experimentally measurable dynamic response functions. Recent developments of the SAC method have allowed for spectral functions with sharp features, e.g., narrow peaks and divergent edges, to be resolved with unprecedented fidelity. Often it is not known what exact sharp features, if any, are present a priori, and, due to the ill-posed nature of the analytic continuation problem, multiple spectral representations may be acceptable. In this work we borrow from the machine learning and statistics literature and implement a cross validation technique to provide an unbiased method to identify the most likely spectrum among a set obtained with different spectral parametrizations and imposed constraints. We demonstrate the power of this method with examples using imaginary-time data generated by QMC simulations and synthetic data generated from artificial spectra. Our procedure, which can be considered a form of model selection, can be applied to a variety of numerical analytic continuation methods, beyond just SAC.
Source: Physical review. E
Authors: Gabe Schumm, Sibin Yang, Anders W. Sandvik
Institution: Boston University
Language: English
Topic: Quantum many-body systems
Subfield: Atomic and Molecular Physics, and Optics
Field: Physics and Astronomy
Domain: Physical Sciences
Open Access status: green
Funder: Simons Foundation
Award: G8080513852
OpenAlex ID: W4404694463