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The computation of the ground state (i.e. the eigenvector related to the smallest eigenvalue) is an important task in the simulation of quantum many-body systems. As the dimension of the underlying vector space grows exponentially in the…

Quantum Physics · Physics 2012-12-24 T. Huckle , K. Waldherr , T. Schulte-Herbrueggen

We propose a novel algorithm for calculating the ground-state energy of quantum many-body systems by combining auxiliary-field quantum Monte Carlo (AFQMC) with tensor-train sketching. In AFQMC, a good trial wavefunction to guide the random…

Numerical Analysis · Mathematics 2026-02-17 Ziang Yu , Shiwei Zhang , Yuehaw Khoo

This work introduces optimization strategies to continuous variable measurement based quantum computation (MBQC) at different levels. We provide a recipe for mitigating the effects of finite squeezing, which affect the production of cluster…

Quantum Physics · Physics 2016-05-11 G. Ferrini , J. Roslund , F. Arzani , Y. Cai , C. Fabre , N. Treps

Neural quantum states (NQS) are a promising ansatz for solving many-body quantum problems due to their inherent expressiveness. Yet, this expressiveness can only be harnessed efficiently for treating identical particles if the suitable…

Chemical Physics · Physics 2026-04-24 Lexin Ding , Markus Reiher

Quantum chemistry calculations of large, strongly correlated systems are typically limited by the computation cost that scales exponentially with the size of the system. Quantum algorithms, designed specifically for quantum computers, can…

Inspired by the advancements in large language models based on transformers, we introduce the transformer quantum state (TQS): a versatile machine learning model for quantum many-body problems. In sharp contrast to Hamiltonian/task specific…

Quantum Physics · Physics 2023-03-08 Yuan-Hang Zhang , Massimiliano Di Ventra

Drawing the quantum phase diagram of a many-body system in the parameter space of its Hamiltonian can be seen as a learning problem, which implies labelling the corresponding ground states according to some classification criterium that…

Quantum Physics · Physics 2025-10-17 Mehran Khosrojerdi , Alessandro Cuccoli , Paola Verrucchi , Leonardo Banchi

Neural-Network Quantum State (NQS) has attracted significant interests as a powerful wave-function ansatz to model quantum phenomena. In particular, a variant of NQS based on the restricted Boltzmann machine (RBM) has been adapted to model…

Quantum Physics · Physics 2019-12-09 Chang-yu Hsieh , Qiming Sun , Shengyu Zhang , Chee Kong Lee

The accurate computation of Hamiltonian ground, excited, and thermal states on quantum computers stands to impact many problems in the physical and computer sciences, from quantum simulation to machine learning. Given the challenges posed…

Bilevel optimization, with broad applications in machine learning, has an intricate hierarchical structure. Gradient-based methods have emerged as a common approach to large-scale bilevel problems. However, the computation of the…

Optimization and Control · Mathematics 2025-02-27 Yan Yang , Bin Gao , Ya-xiang Yuan

Neural Network-based Quantum Monte Carlo (NNQMC), an emerging method for solving many-body quantum systems with high accuracy, has been limitedly applied to small systems due to demanding computation requirements. In this work, we introduce…

In the past decade, the field of quantum machine learning has drawn significant attention due to the prospect of bringing genuine computational advantages to now widespread algorithmic methods. However, not all domains of machine learning…

Ab initio quantum Monte Carlo (QMC) is a stochastic approach for solving the many-body Schr\"odinger equation without resorting to one-body approximations. QMC algorithms are readily parallelizable via ensembles of $N_w$ walkers, making…

Chemical Physics · Physics 2025-08-19 Kousuke Nakano , Sandro Sorella , Michele Casula

We present a novel quantum algorithm for approximating the ground-state in quantum many-body systems, particularly suited for Noisy Intermediate-Scale Quantum (NISQ) devices. Our approach integrates Variational Quantum Eigensolvers (VQE)…

Quantum Physics · Physics 2024-03-18 Yihao Liu , Min-Quan He , Z. D. Wang

Gutzwiller-projected fermionic states can be efficiently implemented within quantum Monte Carlo calculations to define extremely accurate variational wave functions for Heisenberg models on frustrated two-dimensional lattices, not only for…

Strongly Correlated Electrons · Physics 2015-10-12 Federico Becca , Wen-Jun Hu , Yasir Iqbal , Alberto Parola , Didier Poilblanc , Sandro Sorella

Random batch algorithms are constructed for quantum Monte Carlo simulations. The main objective is to alleviate the computational cost associated with the calculations of two-body interactions, including the pairwise interactions in the…

Computational Physics · Physics 2020-09-01 Shi Jin , Xiantao Li

We propose a neural-network variational quantum algorithm to simulate the time evolution of quantum many-body systems. Based on a modified restricted Boltzmann machine (RBM) wavefunction ansatz, the proposed algorithm can be efficiently…

Quantum Physics · Physics 2021-05-12 Chee-Kong Lee , Pranay Patil , Shengyu Zhang , Chang-Yu Hsieh

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, most…

Disordered Systems and Neural Networks · Physics 2020-01-22 Or Sharir , Yoav Levine , Noam Wies , Giuseppe Carleo , Amnon Shashua

Quantum systems have historically been formidable to simulate using classical computational methods, particularly as the system size grows. In recent years, advancements in quantum computing technology have offered new opportunities for…

Quantum Physics · Physics 2023-09-06 Jinao Wang , Rimika Jaiswal

The tensor network states (TNS) methods combined with Monte Carlo (MC) techniques have been proved a powerful algorithm for simulating quantum many-body systems. However, because the ground state energy is a highly non-linear function of…

Strongly Correlated Electrons · Physics 2015-06-19 Wenyuan Liu , Chao Wang , Yanbin Li , Yuyang Lao , Yongjian Han , Guang-Can Guo , Lixin He