Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Log inSign up
Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Blog
Job Board
Q3AS

© 2026 Aqora Quantum S.A.S.

TermsPrivacyLegal Notice

Parallel-Chain Monte Carlo Based on Generative Neural Networks

Hongyu Lu, Chuhao Li, Wei Li, Yang Qi, Zi Yang Meng

Published Jun 1, 2021• 0 citations
OpenAlex

Abstract

We design generative neural networks that generate Monte Carlo configurations with complete absence of autocorrelation and from which direct measurements of physical observables can be employed, irrespective of the system locating at the classical critical point, fermionic Mott insulator, Dirac semimetal and quantum critical point. We further propose a generic parallel-chain Monte Carlo scheme based on such neural networks, which provides independent samplings and accelerates the Monte Carlo simulations by reducing the thermalization process. We demonstrate the performance of our approach on the two-dimensional Ising and fermion Hubbard models.

Related papers

Network-Initialized Monte Carlo Based on Generative Neural Networks

Hongyu Lu, Chuhao Li, Bin-Bin Chen +3 more

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.

arXiv:2106.00712•Chinese Physics Letters•May 1, 2022•6 citations

AI-assisted quantum many-body computation beyond Markov-chain Monte Carlo

Hongyu Lu, Chuhao Li, Wei Li +2 more

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.

•Jun 1, 2021•0 citations

Accelerating lattice quantum Monte Carlo simulations using artificial neural networks: Application to the Holstein model

Shaozhi Li, Philip M. Dee, Ehsan Khatami +1 more

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.

arXiv:1905.07440•Physical review. B./Physical review. B•Jul 22, 2019•38 citations

Deep Autoregressive Models for the Efficient Variational Simulation of Many-Body Quantum Systems

Or Sharir, Yoav Levine, Noam Wies +2 more

Artificial neural networks were recently shown to be an efficient representation of highly entangled many-body quantum states. In practical applications, neural-network states inherit numerical schemes used in variational Monte Carlo method, most notably the use of Markov-chain Monte Carlo (MCMC) sampling to estimate quantum expectations. The local stochastic sampling in MCMC caps the potential advantages of neural networks in two ways: (i) Its intrinsic computational cost sets stringent practical limits on the width and depth of the networks, and therefore limits their expressive capacity; (ii) its difficulty in generating precise and uncorrelated samples can result in estimations of observables that are very far from their true value. Inspired by the state-of-the-art generative models used in machine learning, we propose a specialized neural-network architecture that supports efficient and exact sampling, completely circumventing the need for Markov-chain sampling. We demonstrate our approach for two-dimensional interacting spin models, showcasing the ability to obtain accurate results on larger system sizes than those currently accessible to neural-network quantum states.

arXiv:1902.04057•Physical Review Letters•Jan 16, 2020•257 citations

Generative neural samplers for the quantum Heisenberg chain

Johanna Vielhaben, Nils Strodthoff

Generative neural samplers offer a complementary approach to Monte Carlo methods for problems in statistical physics and quantum field theory. This paper tests the ability of generative neural samplers to estimate observables for real-world low-dimensional spin systems. It maps out how autoregressive models can sample configurations of a quantum Heisenberg chain via a classical approximation based on the Suzuki-Trotter transformation. We present results for energy, specific heat, and susceptibility for the isotropic XXX and the anisotropic XY chain are in good agreement with Monte Carlo results within the same approximation scheme.

arXiv:2012.10264•Physical review. E•Jun 7, 2021•6 citations

Super-resolution of spin configurations based on flow-based generative models

Kenta Shiina, 弘之 森, Yutaka Okabe +1 more

Abstract We present a super-resolution method for spin systems using a flow-based generative model that is a deep generative model with reversible neural network architecture. Starting from spin configurations on a two-dimensional square lattice, our model generates spin configurations of a larger lattice. As a flow-based generative model precisely estimates the distribution of the generated configurations, it can be combined with Monte Carlo simulation to generate large lattice configurations according to the Boltzmann distribution. Hence, the long-range correlation on a large configuration is reduced into the shorter one through the flow-based generative model. This alleviates the critical slowing down near the critical temperature. We demonstrated an 8 times increased lattice size in the linear dimensions using our super-resolution scheme repeatedly. We numerically show that by performing simulations for 16 × 16 configurations, our model can sample lattice configurations at 128 × 128 on which the thermal average of physical quantities has good agreement with the one evaluated by the traditional Metropolis–Hasting Monte Carlo simulation.

arXiv:2108.11494•Journal of Physics A Mathematical and Theoretical•Aug 22, 2024•1 citation
We design generative neural networks that generate Monte Carlo configurations with complete absence of autocorrelation and from which direct measurements of physical observables can be employed, irrespective of the system locating at the classical critical point, fermionic Mott insulator, Dirac semimetal and quantum critical point. We further propose a generic parallel-chain Monte Carlo scheme based on such neural networks, which provides independent samplings and accelerates the Monte Carlo simulations by reducing the thermalization process. We demonstrate the performance of our approach on the two-dimensional Ising and fermion Hubbard models.
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.
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.
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.
Artificial neural networks were recently shown to be an efficient representation of highly entangled many-body quantum states. In practical applications, neural-network states inherit numerical schemes used in variational Monte Carlo method, most notably the use of Markov-chain Monte Carlo (MCMC) sampling to estimate quantum expectations. The local stochastic sampling in MCMC caps the potential advantages of neural networks in two ways: (i) Its intrinsic computational cost sets stringent practical limits on the width and depth of the networks, and therefore limits their expressive capacity; (ii) its difficulty in generating precise and uncorrelated samples can result in estimations of observables that are very far from their true value. Inspired by the state-of-the-art generative models used in machine learning, we propose a specialized neural-network architecture that supports efficient and exact sampling, completely circumventing the need for Markov-chain sampling. We demonstrate our approach for two-dimensional interacting spin models, showcasing the ability to obtain accurate results on larger system sizes than those currently accessible to neural-network quantum states.
Generative neural samplers offer a complementary approach to Monte Carlo methods for problems in statistical physics and quantum field theory. This paper tests the ability of generative neural samplers to estimate observables for real-world low-dimensional spin systems. It maps out how autoregressive models can sample configurations of a quantum Heisenberg chain via a classical approximation based on the Suzuki-Trotter transformation. We present results for energy, specific heat, and susceptibility for the isotropic XXX and the anisotropic XY chain are in good agreement with Monte Carlo results within the same approximation scheme.
Abstract We present a super-resolution method for spin systems using a flow-based generative model that is a deep generative model with reversible neural network architecture. Starting from spin configurations on a two-dimensional square lattice, our model generates spin configurations of a larger lattice. As a flow-based generative model precisely estimates the distribution of the generated configurations, it can be combined with Monte Carlo simulation to generate large lattice configurations according to the Boltzmann distribution. Hence, the long-range correlation on a large configuration is reduced into the shorter one through the flow-based generative model. This alleviates the critical slowing down near the critical temperature. We demonstrated an 8 times increased lattice size in the linear dimensions using our super-resolution scheme repeatedly. We numerically show that by performing simulations for 16 × 16 configurations, our model can sample lattice configurations at 128 × 128 on which the thermal average of physical quantities has good agreement with the one evaluated by the traditional Metropolis–Hasting Monte Carlo simulation.