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Neural Network Variational Monte Carlo (NNVMC) has emerged as a promising paradigm for solving quantum many-body problems by combining variational Monte Carlo with expressive neural-network wave-function ans\"atze. Although NNVMC can…

Hardware Architecture · Computer Science 2026-03-24 Zhengze Xiao , Xuanzhe Ding , Yuyang Lou , Lixue Cheng , Chaojian Li

The variational approach is a cornerstone of computational physics, considering both conventional and quantum computing computational platforms. The variational quantum eigensolver (VQE) algorithm aims to prepare the ground state of a…

Quantum Physics · Physics 2022-12-16 Nikita Astrakhantsev , Guglielmo Mazzola , Ivano Tavernelli , Giuseppe Carleo

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

It is believed that one of the first useful applications for a quantum computer will be the preparation of groundstates of molecular Hamiltonians. A crucial task involving state preparation and readout is obtaining physical observables of…

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

We propose the simulation of quantum-optical systems in the ultrastrong-coupling regime using a variational quantum algorithm. More precisely, we introduce a short-depth variational form to prepare the groundstate of the multimode Dicke…

Quantum Physics · Physics 2020-09-09 Agustin Di Paolo , Panagiotis Kl. Barkoutsos , Ivano Tavernelli , Alexandre Blais

Variational quantum algorithms (VQAs) are prominent candidates for near-term quantum advantage but lack rigorous guarantees of convergence and generalization. By contrast, quantum phase estimation (QPE) provides provable performance under…

Quantum Physics · Physics 2025-10-09 Tuyen Nguyen , Mária Kieferová

Quantum matter, the research field studying phases of matter whose properties are intrinsically quantum mechanical, draws from areas as diverse as hard condensed matter physics, materials science, statistical mechanics, quantum information,…

Computational Physics · Physics 2020-08-21 Juan Carrasquilla

Deep-Learning-based Variational Monte Carlo (DL-VMC) has recently emerged as a highly accurate approach for finding approximate solutions to the many-electron Schr\"odinger equation. Despite its favorable scaling with the number of…

Computational Physics · Physics 2024-05-14 Leon Gerard , Michael Scherbela , Halvard Sutterud , Matthew Foulkes , Philipp Grohs

Quantum Monte Carlo methods have proven to predict atomic and bulk properties of light and non-light elements with high accuracy. Here we report on the first variational quantum Monte Carlo (VMC) calculations for solid surfaces. Taking the…

Materials Science · Physics 2009-10-31 R. Bahnsen , H. Eckstein , W. Schattke , N. Fitzer , R. Redmer

Excited states play a central role in determining the physical properties of quantum matter, yet their accurate computation in many-body systems remains a formidable challenge for numerical methods. While neural quantum states have…

Quantum Physics · Physics 2025-07-15 Douglas Hendry , Alessandro Sinibaldi , Giuseppe Carleo

Given the notably increasing complexity of mathematical models to study realistic systems and their coupling to their environment that constrains their dynamics, both analytical approaches and numerical methods that build on these models,…

Quantum Physics · Physics 2019-11-11 I. Luchnikov , A. Ryzhov , P. -J. C. Stas , S. N. Filippov , H. Ouerdane

Variational methods have proven to be excellent tools to approximate ground states of complex many body Hamiltonians. Generic tools like neural networks are extremely powerful, but their parameters are not necessarily physically motivated.…

Strongly Correlated Electrons · Physics 2022-03-04 Agnes Valenti , Eliska Greplova , Netanel H. Lindner , Sebastian D. Huber

Monte Carlo methods are widely used importance sampling techniques for studying complex physical systems. Integrating these methods with deep learning has significantly improved efficiency and accuracy in high-dimensional problems and…

Disordered Systems and Neural Networks · Physics 2024-12-24 Yixiong Ren , Jianhui Zhou

We use neural networks to represent the characteristic function of many-body Gaussian states in the quantum phase space. By a pullback mechanism, we model transformations due to unitary operators as linear layers that can be cascaded to…

Quantum Physics · Physics 2021-10-19 Claudio Conti

Variational quantum algorithms (VQAs) incorporate hybrid quantum-classical computation aimed at harnessing the power of noisy intermediate-scale quantum (NISQ) computers to solve challenging computational problems. In this thesis, three…

Quantum Physics · Physics 2025-02-18 Mirko Consiglio

We present a variational Monte Carlo (VMC) method that works equally well for the ground and the excited states of a quantum system. The method is based on the minimization of the variance of energy, as opposed to the energy itself in…

Computational Physics · Physics 2007-05-23 Imran Khan , Bo Gao

Machine learning has emerged as a promising approach to study the properties of many-body systems. Recently proposed as a tool to classify phases of matter, the approach relies on classical simulation methods$-$such as Monte Carlo$-$which…

Quantum Physics · Physics 2020-07-17 Alexey Uvarov , Andrey Kardashin , Jacob Biamonte

Tensor network theory and quantum simulation are respectively the key classical and quantum computing methods in understanding quantum many-body physics. Here, we introduce the framework of hybrid tensor networks with building blocks…

Quantum Physics · Physics 2021-09-02 Xiao Yuan , Jinzhao Sun , Junyu Liu , Qi Zhao , You Zhou

Quantum computing offers several new pathways toward finding many-body eigenstates, with variational approaches being some of the most flexible and near-term oriented. These require particular parameterizations of the state, and for solving…

Quantum Physics · Physics 2024-02-13 Scott E. Smart , Prineha Narang
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