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We develop a machine learning method to construct accurate ground-state wave functions of strongly interacting and entangled quantum spin as well as fermionic models on lattices. A restricted Boltzmann machine algorithm in the form of an…

Strongly Correlated Electrons · Physics 2017-11-30 Yusuke Nomura , Andrew S. Darmawan , Youhei Yamaji , Masatoshi Imada

Simulating strongly correlated fermionic systems remains a fundamental challenge in quantum physics, largely due to the sign problem in quantum Monte Carlo (QMC) methods. We present a neural network-based variational Monte Carlo (NN-VMC)…

Computational Physics · Physics 2025-09-09 William Freitas , B. Abreu , S. A. Vitiello

Inspired by the universal approximation theorem and widespread adoption of artificial neural network techniques in a diversity of fields, we propose feed-forward neural networks as a general purpose trial wave function for quantum Monte…

Computational Physics · Physics 2021-01-26 Jan Kessler , Francesco Calcavecchia , Thomas D. Kühne

Recently developed neural network-based \emph{ab-initio} solutions (Pfau et. al arxiv:1909.02487v2) for finding ground states of fermionic systems can generate state-of-the-art results on a broad class of systems. In this work, we improve…

Chemical Physics · Physics 2021-03-26 Max Wilson , Nicholas Gao , Filip Wudarski , Eleanor Rieffel , Norm M. Tubman

Quantum chemical calculations of the ground-state properties of positron-molecule complexes are challenging. The main difficulty lies in employing an appropriate basis set for representing the coalescence between electrons and a positron.…

Computational Physics · Physics 2024-02-08 G. Cassella , W. M. C. Foulkes , D. Pfau , J. S. Spencer

Solving the Schr\"{o}dinger 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…

Materials Science · Physics 2024-05-27 Avishek Singh , Nirmal Ganguli

In this work we propose an artificial neural network functional to the ground-state energy of fermionic interacting particles in homogeneous chains described by the Hubbard model. Our neural network functional was proven to has an excellent…

Computational Physics · Physics 2019-02-18 C. A. Custodio , E. R. Filletti , V. V. França

Artificial neural networks have been recently introduced as a general ansatz to compactly represent many- body wave functions. In conjunction with Variational Monte Carlo, this ansatz has been applied to find Hamil- tonian ground states and…

Strongly Correlated Electrons · Physics 2018-10-24 Kenny Choo , Giuseppe Carleo , Nicolas Regnault , Titus Neupert

In this paper, we demonstrate the expressibility of artificial neural networks (ANNs) in quantum many-body physics by showing that a feed-forward neural network with a small number of hidden layers can be trained to approximate with high…

Strongly Correlated Electrons · Physics 2018-01-17 Zi Cai , Jinguo Liu

Classical artificial neural networks have witnessed widespread successes in machine-learning applications. Here, we propose fermion neural networks (FNNs) whose physical properties, such as local density of states or conditional…

Quantum Physics · Physics 2023-10-04 Pei-Lin Zheng , Jia-Bao Wang , Yi Zhang

We compute the ground-state properties of fully polarized, trapped, one-dimensional fermionic systems interacting through a gaussian potential. We use an antisymmetric artificial neural network, or neural quantum state, as an ansatz for the…

Nuclear Theory · Physics 2024-02-09 J. W. T. Keeble , M. Drissi , A. Rojo-Francàs , B. Juliá-Díaz , A. Rios

We propose a general framework for finding the ground state of many-body fermionic systems by using feed-forward neural networks. The anticommutation relation for fermions is usually implemented to a variational wave function by the Slater…

Strongly Correlated Electrons · Physics 2021-12-21 Koji Inui , Yasuyuki Kato , Yukitoshi Motome

Given access to accurate solutions of the many-electron Schr\"odinger equation, nearly all chemistry could be derived from first principles. Exact wavefunctions of interesting chemical systems are out of reach because they are NP-hard to…

Chemical Physics · Physics 2021-03-26 David Pfau , James S. Spencer , Alexander G. de G. Matthews , W. M. C. Foulkes

The complexity of many-body quantum wave functions is a central aspect of several fields of physics and chemistry where non-perturbative interactions are prominent. Artificial neural networks (ANNs) have proven to be a flexible tool to…

Nuclear Theory · Physics 2021-07-14 Corey Adams , Giuseppe Carleo , Alessandro Lovato , Noemi Rocco

We conduct experimental simulations of many body quantum systems using a \emph{hybrid} classical-quantum algorithm. In our setup, the wave function of the transverse field quantum Ising model is represented by a restricted Boltzmann…

Quantum Physics · Physics 2018-12-05 Bartłomiej Gardas , Marek M. Rams , Jacek Dziarmaga

Neural networks are emerging as a powerful tool for determining the quantum states of interacting many-body fermionic systems. The standard approach trains a neural-network ansatz by minimizing the mean local energy estimated from Monte…

Superconductivity · Physics 2026-04-02 Dezhe Z. Jin

In this note, variational Monte Carlo method based on neural quantum states for spin systems is reviewed. Using a neural network as the wave function allows for a more generalized expression of various types of interactions, including…

Strongly Correlated Electrons · Physics 2024-06-04 Yuntai Song

Understanding superfluidity remains a major goal of condensed matter physics. Here we tackle this challenge utilizing the recently developed Fermionic neural network (FermiNet) wave function Ansatz [D. Pfau et al., Phys. Rev. Res. 2, 033429…

Deep neural networks have been extremely successful as highly accurate wave function ans\"atze for variational Monte Carlo calculations of molecular ground states. We present an extension of one such ansatz, FermiNet, to calculations of the…

Computational Physics · Physics 2023-02-01 G. Cassella , H. Sutterud , S. Azadi , N. D. Drummond , D. Pfau , J. S. Spencer , W. M. C. Foulkes

The construction of trial wave functions based on neural networks combined with the variational Monte Carlo method is discussed. The mathematical formulation for representing quantum states as artificial neural networks is introduced. The…

Computational Physics · Physics 2026-05-19 William Freitas
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