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One of the major application areas of interest for both near-term and fault-tolerant quantum computers is the optimization of classical objective functions. In this work, we develop intuitive constructions for a large class of these…

The training of deep neural networks is inherently a nonconvex optimization problem, yet standard approaches such as stochastic gradient descent (SGD) require simultaneous updates to all parameters, often leading to unstable convergence and…

Machine Learning · Computer Science 2025-08-07 Chengcheng Yan , Jiawei Xu , Zheng Peng , Qingsong Wang

We present a deterministic optimization framework for Neural Network Quantum States (NQS) designed to bypass the sampling variance and slow mixing issues inherent in stochastic optimization. By projecting a neural backflow ansatz onto…

Chemical Physics · Physics 2026-05-12 Zheng Che

Studying general quantum many-body systems is one of the major challenges in modern physics because it requires an amount of computational resources that scales exponentially with the size of the system.Simulating the evolution of a state,…

Quantum Physics · Physics 2018-07-03 Andrea Rocchetto , Edward Grant , Sergii Strelchuk , Giuseppe Carleo , Simone Severini

Variational quantum algorithms are viewed as promising candidates for demonstrating quantum advantage on near-term devices. These approaches typically involve the training of parameterized quantum circuits through a classical optimization…

We propose a new variational scheme based on the neural-network quantum states to simulate the stationary states of open quantum many-body systems. Using the high expressive power of the variational ansatz described by the restricted…

Disordered Systems and Neural Networks · Physics 2019-07-03 Nobuyuki Yoshioka , Ryusuke Hamazaki

Neural-network state representations of quantum many-body systems are attracting great attention and more rigorous quantitative analysis about their expressibility and complexity is warranted. Our analysis of the restricted Boltzmann…

Quantum Physics · Physics 2024-05-24 Ruizhi Pan , Charles W. Clark

Performing experiments on small-scale quantum computers is certainly a challenging endeavor. Many parameters need to be optimized to achieve high-fidelity operations. This can be done efficiently for operations acting on single qubits as…

Quantum Physics · Physics 2016-08-31 M. Müller , A. Rivas , E. A. Martínez , D. Nigg , P. Schindler , T. Monz , R. Blatt , M. A. Martin-Delgado

The ground state properties of quantum many-body systems are a subject of interest across chemistry, materials science, and physics. Thus, algorithms for finding ground states can have broad impacts. Variational quantum algorithms are one…

Quantum Physics · Physics 2023-09-28 James B. Larsen , Matthew D. Grace , Andrew D. Baczewski , Alicia B. Magann

In this paper, we develop a new optimization framework for the least squares learning problem via fully connected neural networks or physics-informed neural networks. The gradient descent sometimes behaves inefficiently in deep learning…

Machine Learning · Computer Science 2025-05-01 Yaru Liu , Yiqi Gu , Michael K. Ng

A reinforcement algorithm solves a classical optimization problem by introducing a feedback to the system which slowly changes the energy landscape and converges the algorithm to an optimal solution in the configuration space. Here, we use…

Disordered Systems and Neural Networks · Physics 2017-11-08 A. Ramezanpour

The numerical emulation of quantum systems often requires an exponential number of degrees of freedom which translates to a computational bottleneck. Methods of machine learning have been used in adjacent fields for effective feature…

Disordered Systems and Neural Networks · Physics 2020-08-10 A Berezutskii , M Beketov , D Yudin , Z Zimborás , J Biamonte

Deep neural networks (DNNs) enable high performance across domains but remain vulnerable to adversarial perturbations, limiting their use in safety-critical settings. Here, we introduce two quantum-optimization-based models for robust…

Machine Learning · Computer Science 2026-03-03 Wenxin Li , Wenchao Liu , Chuan Wang , Qi Gao , Yin Ma , Hai Wei , Kai Wen

Quantum ground-state problems are computationally hard problems; for general many-body Hamiltonians, there is no classical or quantum algorithm known to be able to solve them efficiently. Nevertheless, if a trial wavefunction approximating…

We introduce Neural Tensor Network States ($\nu$TNS), a variational many-body wave-function ansatz that integrates deep neural networks with tensor-network architectures. In the $\nu$TNS framework, a neural network serves as a disentangler…

Strongly Correlated Electrons · Physics 2026-03-17 Chaohui Fan , Bo Zhan , Yuntian Gu , Tong Liu , Yantao Wu , Mingpu Qin , Dingshun Lv , Tao Xiang

The theory of open quantum systems lays the foundations for a substantial part of modern research in quantum science and engineering. Rooted in the dimensionality of their extended Hilbert spaces, the high computational complexity of…

Strongly Correlated Electrons · Physics 2024-06-10 Di Luo , Zhuo Chen , Juan Carrasquilla , Bryan K. Clark

Quantum computing allows for the manipulation of highly correlated states whose properties quickly go beyond the capacity of any classical method to calculate. Thus one natural problem which could lend itself to quantum advantage is the…

Quantum Physics · Physics 2024-12-19 Kevin Lively , Tim Bode , Jochen Szangolies , Jian-Xin Zhu , Benedikt Fauseweh

Machine-learning-based variational Monte Carlo simulations are a promising approach for targeting quantum many-body ground states, especially in two dimensions and in cases where the ground state is known to have a non-trivial sign…

Strongly Correlated Electrons · Physics 2025-10-14 M. Schuyler Moss , Roeland Wiersema , Mohamed Hibat-Allah , Juan Carrasquilla , Roger G. Melko

New generations of ultracold-atom experiments are continually raising the demand for efficient solutions to optimal control problems. Here, we apply Bayesian optimization to improve a state-preparation protocol recently implemented in an…

Quantum Gases · Physics 2024-07-03 Tizian Blatz , Joyce Kwan , Julian Léonard , Annabelle Bohrdt

We demonstrate how to map out the phase diagram of a two dimensional quantum many body system with no prior physical knowledge by applying deep \textit{anomaly detection} to ground states from infinite projected entangled pair state…

Quantum Physics · Physics 2021-08-13 Korbinian Kottmann , Philippe Corboz , Maciej Lewenstein , Antonio Acín