NASA Logo

NTRS

NTRS - NASA Technical Reports Server

Back to Results
A Look at the Truths and Misconceptions of the Variational Quantum Eigensolver and the Implications of OverparameterizationIn this work, we investigate loss landscapes of the variational quantum eigensolver (VQE) by quantifying the number of local minima through empirical analyses. We focus on minimal models in chemistry and physics so that we can do a complete analysis using more computationally expensive tools. We employ Hessian eigenvalue calculations and the nudged elastic band algorithm to characterize these landscapes. Our results expand upon the existing literature by highlighting the optimization challenges faced by VQE. We find that, as the number of parameters in our ansatz increases, the number of basins increases while the corresponding loss function values converge toward the global minimum value. This observation implies that overparameterization may lead to an ``effective convexity'' in VQE loss landscapes, a phenomenon supported by theoretical and numerical work in classical machine learning.
Document ID
20230015283
Acquisition Source
Ames Research Center
Document Type
Conference Paper
Authors
Diana Chamaki
(Universities Space Research Association Columbia, United States)
Wayne Mullinax
(Wyle (United States) El Segundo, California, United States)
David Esteban Bernal Neira
(Universities Space Research Association Columbia, Maryland, United States)
Norman Tubman
(Ames Research Center Mountain View, United States)
Katie Klymko
(Lawrence Berkeley National Laboratory Berkeley, California, United States)
Farshud Sorourifar
(The Ohio State University Wexner Medical Center Columbus, Ohio, United States)
Saavanth Velury
(University of Illinois Urbana-Champaign Urbana, United States)
Stuart Hadfield
(Universities Space Research Association Columbia, Maryland, United States)
Kathleen Hamilton
(Oak Ridge National Laboratory Oak Ridge, United States)
Grant Rotskoff
(Stanford University Stanford, California, United States)
Cory Hargus
(University of California, Berkeley Berkeley, California, United States)
Joel Paulson
(The Ohio State University Wexner Medical Center Columbus, Ohio, United States)
Date Acquired
October 20, 2023
Subject Category
Chemistry and Materials (General)
Numerical Analysis
Meeting Information
Meeting: American Physical Society's (APS) March Meeting
Location: Minneapolis, MN
Country: US
Start Date: March 3, 2024
End Date: March 8, 2024
Sponsors: American Physical Society
Funding Number(s)
PROJECT: NASA ARMD Transformational Tools and Technology (TTT)
CONTRACT_GRANT: NNA16BD14C
CONTRACT_GRANT: 80ARC020D0010
Distribution Limits
Public
Copyright
Portions of document may include copyright protected material.
Keywords
quantum computing
electronic structure
variational quantum eigensolver
lattice models

Available Downloads

There are no available downloads for this record.
No Preview Available