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arXiv:2106.00712 · Chinese Physics Letters

Network-Initialized Monte Carlo Based on Generative Neural Networks

Hongyu Lu, Chuhao Li, Bin-Bin Chen, Wei Li, Yang Qi, Zi Yang Meng

Published May 1, 2022• 6 citations
arXivHTMLPDF

Abstract

We design generative neural networks that generate Monte Carlo configurations with complete absence of autocorrelation from which only short Markov chains are needed before making measurements for physical observables, irrespective of the system locating at the classical critical point, fermionic Mott insulator, Dirac semimetal, or quantum critical point. We further propose a network-initialized Monte Carlo scheme based on such neural networks, which provides independent samplings and can accelerate the Monte Carlo simulations by significantly reducing the thermalization process. We demonstrate the performance of our approach on the two-dimensional Ising and fermion Hubbard models, expect that it can systematically speed up the Monte Carlo simulations especially for the very challenging many-electron problems.

DOI
10.1088/0256-307x/39/5/050701

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We find artificial neural networks can constructively help the Monte Carlo computations to provide better sampling and complete absence of autocorrelation between configurations in the study of classical and quantum many-body systems. We design generic generative neural-network architecture for the Ising and Hubbard models on two-dimensional lattices and demonstrate it can overcome the traditional computational complexity as well as the difficulty in generating uncorrelated configurations, irrespective of the system locating at the classical critical point, antiferromagnetic Mott insulator, correlated Dirac semimetal or the Gross-Neveu quantum criticality. Our work therefore paves the avenue for highly efficient AI-assisted quantum many-body computation beyond the Markov-chain Monte Carlo.
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Monte Carlo (MC) simulations are essential computational approaches with widespread use throughout all areas of science. We present a method for accelerating lattice MC simulations using fully connected and convolutional artificial neural networks that are trained to perform local and global moves in configuration space, respectively. Both networks take local spacetime MC configurations as input features and can, therefore, be trained using samples generated by conventional MC runs on smaller lattices before being utilized for simulations on larger systems. This approach is benchmarked for the case of determinant quantum Monte Carlo (DQMC) studies of the two-dimensional Holstein model. We find that both artificial neural networks are capable of learning an unspecified effective model that accurately reproduces the MC configuration weights of the original Hamiltonian and achieve an order of magnitude speedup over the conventional DQMC algorithm. Our approach is broadly applicable to many classical and quantum lattice MC algorithms.
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Solving the Schrödinger equation for interacting many-body quantum systems faces computational challenges due to exponential scaling with system size. This complexity limits the study of important phenomena in materials science and physics. We develop an Artificial Neural Network (ANN)-driven algorithm to simulate fermionic systems on lattices. Our method uses Pauli matrices to represent quantum states, incorporates Markov Chain Monte Carlo sampling, and leverages an adaptive momentum optimizer. We demonstrate the algorithm's accuracy by simulating the Heisenberg Hamiltonian on a one-dimensional lattice, achieving results with an error in the order of 10−410^{-4}10−4 compared to exact diagonalization. Furthermore, we successfully model a magnetic phase transition in a two-dimensional lattice under an applied magnetic field. Importantly, our approach avoids the sign problem common to traditional Fermionic Monte Carlo methods, enabling the investigation of frustrated systems. This work demonstrates the potential of ANN-based algorithms for efficient simulation of complex quantum systems, opening avenues for discoveries in condensed matter physics and materials science.