Is attention all you need to solve the correlated electron problem?

Abstract

The attention mechanism has transformed artificial intelligence research by its ability to learn relations between objects. In this work, we explore how a many-body wavefunction ansatz constructed from a large-parameter self-attention neural network can be used to solve the interacting electron problem in solids. By a systematic neural-network variational Monte Carlo study on a moir\'e quantum material, we demonstrate that the self-attention ansatz provides an accurate and efficient solution without human bias. Moreover, our numerical study finds that the required number of variational parameters scales roughly as $N^2$ with the number of electrons, which opens a path towards efficient large-scale simulations.