A perspective on machine learning and data science for strongly correlated electron problems

TL;DR

This paper reviews how machine learning and data science techniques are advancing the simulation and understanding of strongly correlated electron systems, addressing traditional computational bottlenecks and enabling scientific discovery.

Contribution

It provides a comprehensive overview of ML applications in correlated electron problems, highlighting progress, challenges, and future research directions.

Findings

ML methods improve simulation efficiency for classical models

ML enables discovery of new phases in correlated systems

ML accelerates quantum many-body computational methods

Abstract

Numerical approaches to the correlated electron problem have achieved considerable success, yet are still constrained by several bottlenecks, including high order polynomial or exponential scaling in system size, long autocorrelation times, challenges in recognizing novel phases, and the Fermion sign problem. Methods in machine learning (ML), artificial intelligence, and data science promise to help address these limitations and open up a new frontier in strongly correlated quantum system simulations. In this paper, we review some of the progress in this area. We begin by examining these approaches in the context of classical models, where their underpinnings and application can be easily illustrated and benchmarked. We then discuss cases where ML methods have enabled scientific discovery. Finally, we will examine their applications in accelerating model solutions in state-of-the-art quantum many-body methods like quantum Monte Carlo and discuss potential future research directions.