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Quantum computing and quantum Monte Carlo (QMC) are respectively the state-of-the-art quantum and classical computing methods for understanding many-body quantum systems. Here, we propose a hybrid quantum-classical algorithm that integrates…

Quantum Physics · Physics 2025-11-17 Yukun Zhang , Yifei Huang , Jinzhao Sun , Dingshun Lv , Xiao Yuan

In statistical analysis, Monte Carlo (MC) stands as a classical numerical integration method. When encountering challenging sample problem, Markov chain Monte Carlo (MCMC) is a commonly employed method. However, the MCMC estimator is biased…

Numerical Analysis · Mathematics 2024-11-05 Jiarui Du , Zhijian He

We explore the use in quantum Monte Carlo (QMC) of trial wave functions consisting of a Jastrow factor multiplied by a truncated configuration-interaction (CI) expansion in Slater determinants obtained from a CI perturbatively selected…

Chemical Physics · Physics 2016-01-25 Emmanuel Giner , Roland Assaraf , Julien Toulouse

In this work, we develop a stochastic matrix product state (stoMPS) approach that combines the MPS technique and Monte Carlo samplings and can be applied to simulate quantum lattice models down to low temperature. In particular, we exploit…

Strongly Correlated Electrons · Physics 2023-12-08 Jianxin Gao , Yuan Gao , Qiaoyi Li , Wei Li

Atomistic simulations provide valuable insights into the physical processes governing material behavior. However, their applicability is fundamentally constrained by the limited time scales accessible to brute-force simulations. This…

Computational Physics · Physics 2026-02-16 Michael Kim , Wei Cai

Over the last decade tensor network states (TNS) have emerged as a powerful tool for the study of quantum many body systems. The matrix product states (MPS) are one particular class of TNS and are used for the simulation of…

High Energy Physics - Lattice · Physics 2016-06-27 Boye Buyens , Jutho Haegeman , Frank Verstraete , Karel Van Acoleyen

This paper examines the use of tensor networks, which can efficiently represent high-dimensional quantum states, in language modeling. It is a distillation and continuation of the work done in (van der Poel, 2023). To do so, we will…

Machine Learning · Computer Science 2024-03-21 Constantijn van der Poel , Dan Zhao

Quantum Monte-Carlo (QMC) simulations involving fermions have the notorious sign problem. Some well-known exceptions of the auxiliary field QMC algorithm rely on the factorizibility of the fermion determinant. Recently, a fermionic QMC…

Strongly Correlated Electrons · Physics 2009-02-06 Congjun Wu , Shou-Cheng Zhang

Quantum Monte Carlo (QMC) methods can very accurately compute ground state properties of quantum systems. We applied these methods to a system of boson hard spheres to get exact, infinite system size results for the ground state at several…

Computational Physics · Physics 2016-09-08 Mark Dewing

Monte Carlo simulations away from half-filling suffer from a sign problem that can be reduced by deforming the contour of integration. Such a transformation, which induces a Jacobian determinant in the Boltzmann weight, can be implemented…

Computational Physics · Physics 2022-09-30 Marcel Rodekamp , Evan Berkowitz , Christoph Gäntgen , Stefan Krieg , Thomas Luu , Johann Ostmeyer

Many machine learning problems optimize an objective that must be measured with noise. The primary method is a first order stochastic gradient descent using one or more Monte Carlo (MC) samples at each step. There are settings where…

Machine Learning · Computer Science 2021-04-22 Sifan Liu , Art B. Owen

We introduce a method that combines the power of both the lattice Green function Monte Carlo (LGFMC) with the auxiliary field techniques (AFQMC), and allows us to compute exact ground state properties of the Hubbard model for U<~ 4t on…

Strongly Correlated Electrons · Physics 2015-06-03 Sandro Sorella

We extend correlated sampling from classical auxiliary-field quantum Monte Carlo to the quantum-classical (QC-AFQMC) framework, enabling accurate nuclear force computations crucial for geometry optimization and reaction dynamics. Stochastic…

Neural-network quantum states (NQS) employ artificial neural networks to encode many-body wave functions in second quantization through variational Monte Carlo (VMC). They have recently been applied to accurately describe electronic wave…

Chemical Physics · Physics 2023-11-27 Xiang Li , Jia-Cheng Huang , Guang-Ze Zhang , Hao-En Li , Chang-su Cao , Dingshun Lv , Han-Shi Hu

The application of Tensor Networks (TN) in quantum computing has shown promise, particularly for data loading. However, the assumption that data is readily available often renders the integration of TN techniques into Quantum Monte Carlo…

We study signal processing tasks in which the signal is mapped via some generalized time-frequency transform to a higher dimensional time-frequency space, processed there, and synthesized to an output signal. We show how to approximate such…

Numerical Analysis · Mathematics 2021-09-07 Ron Levie , Haim Avron , Gitta Kutyniok

Reliably simulating two-dimensional many-body quantum dynamics with projected entangled pair states (PEPS) has long been a difficult challenge. In this work, we overcome this barrier for low-energy quantum dynamics by developing a stable…

Strongly Correlated Electrons · Physics 2026-01-29 Yantao Wu , Jannes Nys

Quantum Monte Carlo (QMC) methods are one of the most important tools for studying interacting quantum many-body systems. The vast majority of QMC calculations in interacting fermion systems require a constraint to control the sign problem.…

Strongly Correlated Electrons · Physics 2016-12-08 Mingpu Qin , Hao Shi , Shiwei Zhang

The accurate computation of forces and other energy derivatives has been a long-standing challenge for quantum Monte Carlo methods. A number of technical obstacles contribute to this challenge. We discuss how these obstacles can be removed…

Materials Science · Physics 2023-05-29 Siyuan Chen , Shiwei Zhang

In recent years, interest in expressing the success of neural networks to the quantum computing has increased significantly. Tensor network theory has become increasingly popular and widely used to simulate strongly entangled correlated…

Quantum Physics · Physics 2019-05-07 Amandeep Singh Bhatia , Mandeep Kaur Saggi , Ajay Kumar , Sushma Jain