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Inspired by proposals for continuous-variable quantum approximate optimization (CV-QAOA), we investigate the utility of continuous-variable neural network quantum states (CV-NQS) for performing continuous optimization, focusing on the…

Quantum Physics · Physics 2022-01-07 Yabin Zhang , David Gorsich , Paramsothy Jayakumar , Shravan Veerapaneni

Neural-network quantum states (NQS) are powerful neural-network ans\"atzes that have emerged as promising tools for studying quantum many-body physics through the lens of the variational principle. These architectures are known to be…

Disordered Systems and Neural Networks · Physics 2025-07-28 Jake McNaughton , Mohamed Hibat-Allah

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

Neural networks (NNs) representing quantum states are typically trained using Markov chain Monte Carlo based methods. However, unless specifically designed, such samplers only consist of local moves, making the slow-mixing problem prominent…

Quantum Physics · Physics 2022-09-28 Yuan-Hang Zhang , Massimiliano Di Ventra

Quantum computers have a potential for solving quantum chemistry problems with higher accuracy than classical computers. Quantum computing quantum Monte Carlo (QC-QMC) is a QMC with a trial state prepared in quantum circuit, which is…

Quantum Physics · Physics 2024-06-07 Shu Kanno , Hajime Nakamura , Takao Kobayashi , Shigeki Gocho , Miho Hatanaka , Naoki Yamamoto , Qi Gao

As neural networks are known to efficiently represent classes of tensor-network states as well as volume-law-entangled states, identifying which properties determine the representational capabilities of neural quantum states (NQS) remains…

Nuclear Theory · Physics 2026-03-31 James W. T. Keeble , Alessandro Lovato , Caroline E. P. Robin

Quantum algorithms present a quadratically improved complexity over classical ones for certain sampling tasks. For instance, the Quantum Amplitude Estimation (QAE) algorithm promises to speedup the estimation of the mean of certain…

Quantum Physics · Physics 2026-03-13 Baptiste Claudon , Sergi Ramos-Calderer , Jean-Philip Piquemal

Neural network quantum states (NQS) have emerged as a powerful and flexible framework for addressing quantum many-body problems. While successful for model Hamiltonians, their application to molecular systems remains challenging for several…

Chemical Physics · Physics 2025-07-28 Zibo Wu , Bohan Zhang , Wei-Hai Fang , Zhendong Li

Neural quantum states (NQS) are a novel class of variational many-body wave functions that are very flexible in approximating diverse quantum states. Optimization of an NQS ansatz requires sampling from the corresponding probability…

Strongly Correlated Electrons · Physics 2021-09-15 Andrey A. Bagrov , Askar A. Iliasov , Tom Westerhout

Variational quantum calculations have borrowed many tools and algorithms from the machine learning community in the recent years. Leveraging great expressive power and efficient gradient-based optimization, researchers have shown that trial…

Disordered Systems and Neural Networks · Physics 2024-08-19 Matija Medvidović , Javier Robledo Moreno

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

Recent progress in the design and optimization of neural-network quantum states (NQSs) has made them an effective method to investigate ground-state properties of quantum many-body systems. In contrast to the standard approach of training a…

Disordered Systems and Neural Networks · Physics 2024-12-18 Riccardo Rende , Sebastian Goldt , Federico Becca , Luciano Loris Viteritti

Variational quantum algorithms are poised to have significant impact on high-dimensional optimization, with applications in classical combinatorics, quantum chemistry, and condensed matter. Nevertheless, the optimization landscape of these…

Quantum Physics · Physics 2022-02-02 Taylor L. Patti , Omar Shehab , Khadijeh Najafi , Susanne F. Yelin

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

Due to the strong correlations present in quantum systems, classical machine learning algorithms like stochastic gradient descent are often insufficient for the training of neural network quantum states (NQSs). These difficulties can be…

Quantum Physics · Physics 2021-04-23 J. Thorben Frank , Michael J. Kastoryano

Neural quantum states have established themselves as a powerful and versatile family of ansatzes for variational Monte Carlo simulations of quantum many-body systems. Of particular prominence are autoregressive neural quantum states (ANQS),…

Quantum Physics · Physics 2023-10-09 Aleksei Malyshev , Juan Miguel Arrazola , A. I. Lvovsky

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

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

Monte Carlo methods are widely used in particle physics to integrate and sample probability distributions (differential cross sections or decay rates) on multi-dimensional phase spaces. We present a Neural Network (NN) algorithm optimized…

High Energy Physics - Phenomenology · Physics 2020-10-21 Matthew D. Klimek , Maxim Perelstein

Variational Monte Carlo calculations have recently reached state-of-the-art accuracy in the approximation of ground state properties of quantum many-body systems. Making use of flexible neural quantum states and automatic differentiation…

Quantum Physics · Physics 2026-05-11 Anton Hul , Matija Medvidović , Juan Carrasquilla