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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

In the context of Monte Carlo sampling for lattice models, the complexity of the energy landscape often leads to Markov chains being trapped in local optima, thereby increasing the correlation between samples and reducing sampling…

Statistical Mechanics · Physics 2024-10-29 Jiewei Ding , Jiahao Su , Ho-Kin Tang , Wing Chi Yu

In recent years, neural network quantum states (NNQS) have emerged as powerful tools for the study of quantum many-body systems. Electronic structure calculations are one such canonical many-body problem that have attracted significant…

Chemical Physics · Physics 2022-01-27 Thomas D. Barrett , Aleksei Malyshev , A. I. Lvovsky

Neural-network-based variational quantum states in general, and more recently autoregressive models in particular, have proven to be powerful tools to describe complex many-body wave functions. However, their performance crucially depends…

Strongly Correlated Electrons · Physics 2025-12-02 João Augusto Sobral , Michael Perle , Mathias S. Scheurer

Computing the ground state of interacting quantum matter is a long-standing challenge, especially for complex two-dimensional systems. Recent developments have highlighted the potential of neural quantum states to solve the quantum…

Disordered Systems and Neural Networks · Physics 2025-07-03 Ao Chen , Markus Heyl

Computational methods both open the frontiers of economic analysis and serve as a bottleneck in what can be achieved. We are the first to study whether Quantum Monte Carlo (QMC) algorithm can improve the runtime of economic applications and…

Quantum Physics · Physics 2024-09-24 Vladimir Skavysh , Sofia Priazhkina , Diego Guala , Thomas R. Bromley

Quantum machine learning (QML) shows promise for analyzing quantum data. A notable example is the use of quantum convolutional neural networks (QCNNs), implemented as specific types of quantum circuits, to recognize phases of matter. In…

Quantum Physics · Physics 2025-01-07 Chukwudubem Umeano , Annie E. Paine , Vincent E. Elfving , Oleksandr Kyriienko

Combining insights from machine learning and quantum Monte Carlo, the stochastic reconfiguration method with neural network Ansatz states is a promising new direction for high-precision ground state estimation of quantum many-body problems.…

Quantum Physics · Physics 2020-10-14 Chae-Yeun Park , Michael J. Kastoryano

We present a variational Monte Carlo method that solves the nuclear many-body problem in the occupation number formalism exploiting an artificial neural network representation of the ground-state wave function. A memory-efficient version of…

We present quantum algorithms for the estimation of n-time correlation functions, the local and non-local density of states, and dynamical linear response functions. These algorithms are all based on block-encodings - a versatile technique…

Quantum Physics · Physics 2020-08-19 Patrick Rall

Accurate free energy representations are crucial for understanding phase dynamics in materials. We employ a scale-bridging approach to incorporate atomistic information into our free energy model by training a neural network on DFT-informed…

Computational Physics · Physics 2025-03-12 Jamie Holber , Krishna Garikipati

Partial differential equations frequently appear in the natural sciences and related disciplines. Solving them is often challenging, particularly in high dimensions, due to the "curse of dimensionality". In this work, we explore the…

Quantum Physics · Physics 2023-05-30 Lukas Mouton , Florentin Reiter , Ying Chen , Patrick Rebentrost

We present a quantum Monte Carlo algorithm for the simulation of general quantum and classical many-body models within a single unifying framework. The algorithm builds on a power series expansion of the quantum partition function in its…

Statistical Mechanics · Physics 2020-08-05 Lalit Gupta , Tameem Albash , Itay Hen

This paper introduces the first quantum computing framework for Stochastic Quantum Power Flow (SQPF) analysis in power systems. The proposed method leverages quantum states to encode power flow distributions, enabling the use of Quantum…

Quantum Physics · Physics 2025-01-13 Brynjar Sævarsson , Hjörtur Jóhannsson , Spyros Chatzivasileiadis

Recently, Huggins et. al. [Nature, 603, 416-420 (2022)] devised a general projective Quantum Monte Carlo method suitable for implementation on quantum computers. This hybrid approach, however, relies on a subroutine -the computation of the…

Quantum Physics · Physics 2022-05-20 Guglielmo Mazzola , Giuseppe Carleo

Neural-network quantum states have shown great potential for the study of many-body quantum systems. In statistical machine learning, transfer learning designates protocols reusing features of a machine learning model trained for a problem…

Motivated by recent progress in applying techniques from the field of artificial neural networks (ANNs) to quantum many-body physics, we investigate as to what extent the flexibility of ANNs can be used to efficiently study systems that…

Strongly Correlated Electrons · Physics 2018-05-22 Raphael Kaubruegger , Lorenzo Pastori , Jan Carl Budich

Accurately modeling quantum dissipative dynamics remains challenging due to environmental complexity and non-Markovian memory effects. Although machine learning provides a promising alternative to conventional simulation techniques, most…

Chemical Physics · Physics 2026-03-18 Muhammad Atif , Arif Ullah , Ming Yang

We consider a model of an artificial neural network that uses quantum-mechanical particles in a two-humped potential as a neuron. To simulate such a quantum-mechanical system the Monte-Carlo integration method is used. A form of the…

Quantum Physics · Physics 2018-06-27 V. I. Dorozhinsky , O. V. Pavlovsky

Monte Carlo methods use random sampling to estimate numerical quantities which are hard to compute deterministically. One important example is the use in statistical physics of rapidly mixing Markov chains to approximately compute partition…

Quantum Physics · Physics 2017-07-12 Ashley Montanaro