A look at the truths and misconceptions of the variational quantum eigensolver and the implications of overparameterization

ORAL

Abstract

In 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 in order to do a complete analysis using 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.

*This work was supported by the NASA Ames Research Center, USRA, and NASA Academic Mission Services

Presenters

  • Diana Chamaki

    • Columbia University
    • NASA Ames

Authors

  • Diana Chamaki

    • Columbia University
    • NASA Ames
  • Farshud Sorourifar

    • The Ohio State University
  • Saavanth Velury

    • University of Illinois at Urbana-Champaign
  • Cory M Hargus

    • Paris Cité University
  • Katherine Klymko

    • Lawrence Berkeley National Laboratory
    • NERSC, Lawrence Berkeley National Laboratory
  • Kathleen E Hamilton

    • Oak Ridge National Laboratory
  • Stuart Hadfield

    • NASA Ames Research Center
  • Wayne Mullinax

    • KBR, Inc.; NASA Ames Research Center
  • Joel A Paulson

    • The Ohio State University
  • David E Bernal Neira

    • USRA - Univ Space Rsch Assoc
    • Purdue University
  • Grant M Rotskoff

    • Stanford University
    • Stanford Univ
  • Norm M Tubman

    • NASA Ames