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A faithful description of chemical processes requires exploring extended regions of the molecular potential energy surface (PES), which remains challenging for strongly correlated systems. Transferable deep-learning variational Monte Carlo…

Chemical Physics · Physics 2026-03-27 P. Bernát Szabó , Zeno Schätzle , Frank Noé

We examine applicability of the valence bond basis correlator product state ansatz, equivalent to the restricted Boltzmann machine quantum artificial neural network ansatz, and variational Monte Carlo method for direct optimization of…

Strongly Correlated Electrons · Physics 2020-08-12 Tanja Duric , Tomislav Seva

Variational Quantum Algorithms have emerged as a leading paradigm for near-term quantum computation. In such algorithms, a parameterized quantum circuit is controlled via a classical optimization method that seeks to minimize a…

Quantum Physics · Physics 2021-10-19 Javier Rivera-Dean , Patrick Huembeli , Antonio Acín , Joseph Bowles

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

The gradient descent approach is the key ingredient in variational quantum algorithms and machine learning tasks, which is an optimization algorithm for finding a local minimum of an objective function. The quantum versions of gradient…

Quantum Physics · Physics 2022-04-19 Jin-Min Liang , Shi-Jie Wei , Shao-Ming Fei

Computing accurate yet efficient approximations to the solutions of the electronic Schr\"odinger equation has been a paramount challenge of computational chemistry for decades. Quantum Monte Carlo methods are a promising avenue of…

Chemical Physics · Physics 2023-09-25 Zeno Schätzle , Bernát Szabó , Matĕj Mezera , Jan Hermann , Frank Noé

The representation of a quantum wave function as a neural network quantum state (NQS) provides a powerful variational ansatz for finding the ground states of many-body quantum systems. Nevertheless, due to the complex variational landscape,…

Quantum Physics · Physics 2023-12-06 Eimantas Ledinauskas , Egidijus Anisimovas

When combined with highly expressive ansatz functions such as neural quantum states, variational Monte Carlo (VMC) constitutes a versatile numerical approach to tackle the quantum many-body problem in and out of equilibrium. However, its…

Quantum Physics · Physics 2026-05-06 Wladislaw Krinitsin , Markus Schmitt

Solving ground states of quantum many-body systems has been a long-standing problem in condensed matter physics. Here, we propose a new unsupervised machine learning algorithm to find the ground state of a general quantum many-body system…

Disordered Systems and Neural Networks · Physics 2019-06-27 Jiaxin Wu , Wenjuan Zhang

Nonlinear non-Gaussian state-space models are ubiquitous in statistics, econometrics, information engineering and signal processing. Particle methods, also known as Sequential Monte Carlo (SMC) methods, provide reliable numerical…

Computation · Statistics 2015-09-11 Nikolas Kantas , Arnaud Doucet , Sumeetpal S. Singh , Jan Maciejowski , Nicolas Chopin

Rydberg atom arrays are programmable quantum simulators capable of preparing interacting qubit systems in a variety of quantum states. Due to long experimental preparation times, obtaining projective measurement data can be relatively slow…

Quantum Physics · Physics 2022-05-11 Stefanie Czischek , M. Schuyler Moss , Matthew Radzihovsky , Ejaaz Merali , Roger G. Melko

This paper proposes an efficient method for the simultaneous estimation of the state of a quantum system and the classical parameters that govern its evolution. This hybrid approach benefits from efficient numerical methods for the…

Quantum Physics · Physics 2017-11-08 Jason F Ralph , Simon Maskell , Kurt Jacobs

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

Monte Carlo (MC) reinforcement learning suffers from high sample complexity, especially in environments with sparse rewards, large state spaces, and correlated trajectories. We address these limitations by reformulating episode selection as…

Machine Learning · Computer Science 2026-01-27 Hadi Salloum , Ali Jnadi , Yaroslav Kholodov , Alexander Gasnikov

Quantum computing offers potential solutions for finding ground states in condensed-matter physics and chemistry. However, achieving effective ground state preparation is also computationally hard for arbitrary Hamiltonians. It is necessary…

The variational quantum eigensolver (VQE) is one of the most promising algorithms for low-lying eigenstates calculation on Noisy Intermediate-Scale Quantum (NISQ) computers. Specifically, VQE has achieved great success for ground state…

Numerical Analysis · Mathematics 2025-12-19 Hengzhun Chen , Yingzhou Li , Bichen Lu , Jianfeng Lu

We investigate variational learning of quantum many-body ground states directly in measurement space using autoregressive neural networks. In particular, we represent quantum states via probability distributions of outcomes over a symmetric…

Quantum Physics · Physics 2026-05-29 Kartiek Agarwal

This article addresses online variational estimation in parametric state-space models. We propose a new procedure for efficiently computing the evidence lower bound and its gradient in a streaming-data setting, where observations arrive…

Methodology · Statistics 2026-02-09 Mathis Chagneux , Mathias Müller , Pierre Gloaguen , Sylvain Le Corff , Jimmy Olsson

Variational quantum algorithms (VQAs) utilize a hybrid quantum-classical architecture to recast problems of high-dimensional linear algebra as ones of stochastic optimization. Despite the promise of leveraging near- to intermediate-term…

Quantum Physics · Physics 2022-11-08 Oliver Knitter , James Stokes , Shravan Veerapaneni

Reflecting the increasing interest in quantum computing, the variational quantum eigensolver (VQE) has attracted much attentions as a possible application of near-term quantum computers. Although the VQE has often been applied to quantum…

Quantum Physics · Physics 2022-12-07 Yasutaka Nishida , Fumihiko Aiga
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