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Variational approaches, such as variational Monte Carlo (VMC) or the variational quantum eigensolver (VQE), are powerful techniques to tackle the ground-state many-electron problem. Often, the family of variational states is not invariant…

Quantum Physics · Physics 2023-10-10 Javier Robledo Moreno , Jeffrey Cohn , Dries Sels , Mario Motta

Simulating strongly correlated fermionic systems remains a fundamental challenge in quantum physics, largely due to the sign problem in quantum Monte Carlo (QMC) methods. We present a neural network-based variational Monte Carlo (NN-VMC)…

Computational Physics · Physics 2025-09-09 William Freitas , B. Abreu , S. A. Vitiello

Neural-network quantum states (NQS) has emerged as a powerful application of quantum-inspired deep learning for variational Monte Carlo methods, offering a competitive alternative to existing techniques for identifying ground states of…

Machine Learning · Computer Science 2024-11-07 Oliver Knitter , Dan Zhao , James Stokes , Martin Ganahl , Stefan Leichenauer , Shravan Veerapaneni

Finding the ground-state energy of molecules is an important and challenging computational problem for which quantum computing can potentially find efficient solutions. The variational quantum eigensolver (VQE) is a quantum algorithm that…

Quantum Physics · Physics 2023-02-15 Daniel Yoffe , Amir Natan , Adi Makmal

Owing to their great expressivity and versatility, neural networks have gained attention for simulating large two-dimensional quantum many-body systems. However, their expressivity comes with the cost of a challenging optimization due to…

Disordered Systems and Neural Networks · Physics 2025-03-26 Hannah Lange , Guillaume Bornet , Gabriel Emperauger , Cheng Chen , Thierry Lahaye , Stefan Kienle , Antoine Browaeys , Annabelle Bohrdt

Variational quantum learning faces practical challenges in the noisy intermediate-scale quantum (NISQ) era. Parameterized quantum circuit (PQC) models suffer from statistical uncertainty due to finite-shot measurements and are highly…

Quantum Physics · Physics 2025-05-23 Chen-Yu Liu

Neural Quantum States (NQS) are powerful tools used to represent complex quantum many-body states in an increasingly wide range of applications. However, despite their popularity, at present only a rudimentary understanding of their…

Quantum sensing exploits non-classical effects to overcome limitations of classical sensors, with applications ranging from gravitational-wave detection to nanoscale imaging. However, practical quantum sensors built on noisy…

Quantum Physics · Physics 2025-05-30 Ivana Nikoloska , Hamdi Joudeh , Ruud van Sloun , Osvaldo Simeone

Neural quantum states (NQSs) are powerful variational ans\"atze capable of representing highly entangled quantum many-body wavefunctions. While the average entanglement properties of ensembles of restricted Boltzmann machines are well…

Quantum Physics · Physics 2026-02-11 Andrew Jreissaty , Hang Zhang , Jairo C. Quijano , Juan Carrasquilla , Roeland Wiersema

Neural quantum states (NQS) attract a lot of attention due to their potential to serve as a very expressive variational ansatz for quantum many-body systems. Here we study the main factors governing the applicability of NQS to frustrated…

Disordered Systems and Neural Networks · Physics 2020-04-06 Tom Westerhout , Nikita Astrakhantsev , Konstantin S. Tikhonov , Mikhail Katsnelson , Andrey A. Bagrov

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

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

Projected variational wavefunctions such as the Gutzwiller, many-body correlator and Jastrow ansatzes have provided crucial insight into the nature of superfluid-Mott insulator transition in the Bose Hubbard model (BHM) in two or more…

Quantum Gases · Physics 2024-10-08 Michael Y. Pei , Stephen R. Clark

We utilize neural network quantum states (NQS) to investigate the ground state properties of the Heisenberg model on a Shastry-Sutherland lattice using the variational Monte Carlo method. We show that already relatively simple NQSs can be…

Disordered Systems and Neural Networks · Physics 2024-02-07 Matěj Mezera , Jana Menšíková , Pavel Baláž , Martin Žonda

The rapid development of neural quantum states (NQS) has established it as a promising framework for studying quantum many-body systems. In this work, by leveraging the cutting-edge transformer-based architectures and developing highly…

Strongly Correlated Electrons · Physics 2025-07-11 Yuntian Gu , Wenrui Li , Heng Lin , Bo Zhan , Ruichen Li , Yifei Huang , Di He , Yantao Wu , Tao Xiang , Mingpu Qin , Liwei Wang , Dingshun Lv

Fracton models host unconventional topological orders in three and higher dimensions and provide promising candidates for quantum memory platforms. Understanding their robustness against quantum fluctuations is an important task but also…

Quantum Physics · Physics 2025-04-02 Marc Machaczek , Lode Pollet , Ke Liu

Solving electronic structure problems is considered one of the most promising applications of quantum computing. However, due to limitations imposed by the coherence time of qubits in the Noisy Intermediate Scale Quantum (NISQ) era or the…

Quantum Physics · Physics 2025-03-20 Shuo Sun , Chandan Kumar , Kevin Shen , Elvira Shishenina , Christian B. Mendl

Neural quantum states are a promising framework for simulating many-body quantum dynamics, as they can represent states with volume-law entanglement. As time evolves, the neural network parameters are typically optimized at discrete time…

Quantum Physics · Physics 2026-02-04 Dingzu Wang , Wenxuan Zhang , Xiansong Xu , Dario Poletti

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

We introduce the multistate iterative qubit coupled cluster (MS-iQCC) method, a quantum-inspired algorithm that runs efficiently on classical hardware and is designed to predict both ground and excited electronic states of molecules.…

Chemical Physics · Physics 2026-01-05 Robert A. Lang , Shashank G. Mehendale , Ilya G. Ryabinkin , Artur F. Izmaylov