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The ground state of second-quantized quantum chemistry Hamiltonians is key to determining molecular properties. Neural quantum states (NQS) offer flexible and expressive wavefunction ansatze for this task but face two main challenges:…

Chemical Physics · Physics 2025-06-18 An-Jun Liu , Bryan K. Clark

Neural quantum states are a new family of variational ans\"atze for quantum-many body wave functions with advantageous properties in the notoriously challenging case of two spatial dimensions. Since their introduction a wide variety of…

Strongly Correlated Electrons · Physics 2023-05-24 Moritz Reh , Markus Schmitt , Martin Gärttner

Neural quantum states (NQS) have emerged as a promising approach to solve second-quantized Hamiltonians, because of their scalability and flexibility. In this work, we design and benchmark an NQS impurity solver for the quantum embedding…

Strongly Correlated Electrons · Physics 2026-03-16 Yinzhanghao Zhou , Tsung-Han Lee , Ao Chen , Nicola Lanatà , Hong Guo

We study the performance of efficient quantum state tomography methods based on neural network quantum states using measured data from a two-photon experiment. Machine learning inspired variational methods provide a promising route towards…

Quantum State Tomography is the task of determining an unknown quantum state by making measurements on identical copies of the state. Current algorithms are costly both on the experimental front -- requiring vast numbers of measurements --…

Quantum Physics · Physics 2018-12-18 Yihui Quek , Stanislav Fort , Hui Khoon Ng

Modern day quantum simulators can prepare a wide variety of quantum states but the accurate estimation of observables from tomographic measurement data often poses a challenge. We tackle this problem by developing a quantum state tomography…

Quantum Physics · Physics 2022-09-27 Tobias Schmale , Moritz Reh , Martin Gärttner

Modeling quantum many-body systems is enormously challenging due to the exponential scaling of Hilbert dimension with system size. Finding efficient compressions of the wavefunction is key to building scalable models. Here, we introduce…

Computational Physics · Physics 2020-03-16 Christopher Roth

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

We discuss kinetic-based particle optimization methods and variable-sample strategies for problems where the cost function represents the expected value of a random mapping. Kinetic-based optimization methods rely on a consensus mechanism…

Optimization and Control · Mathematics 2025-07-08 Sabrina Bonandin , Michael Herty

The exploration of neural network quantum states has become widespread in the studies of complicated quantum many-body systems. However, achieving high precision remains challenging due to the exponential growth of Hilbert space size and…

Strongly Correlated Electrons · Physics 2025-04-22 Shuai-Tin. Bao , Dian Wu , Pan Zhang , Ling Wang

Due to their immense representative power, neural network quantum states (NQS) have gained significant interest in current research. In recent advances in the field of NQS, it has been demonstrated that this approach can compete with…

Disordered Systems and Neural Networks · Physics 2024-10-21 Fabian Döschl , Felix A. Palm , Hannah Lange , Fabian Grusdt , Annabelle Bohrdt

Neural quantum states (NQS) provide a flexible variational framework for many-body wavefunctions, but suffer from high computational cost and limited interpretability. We introduce DysonNet, a broad class of NQS that couples strictly local…

Quantum Physics · Physics 2026-03-13 Lucas Winter , Andreas Nunnenkamp

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

The eigenvalue problem of quantum many-body systems is a fundamental and challenging subject in condensed matter physics, since the dimension of the Hilbert space (and hence the required computational memory and time) grows exponentially as…

Disordered Systems and Neural Networks · Physics 2021-05-12 Chen-Yu Liu , Daw-Wei Wang

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

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 state tomography is an essential component of modern quantum technology. In application to continuous-variable harmonic-oscilator systems, such as the electromagnetic field, existing tomography methods typically reconstruct the…

Quantum Physics · Physics 2023-01-09 Ekaterina Fedotova , Nikolai Kuznetsov , Egor Tiunov , A. E. Ulanov , A. I. Lvovsky

Neural quantum state (NQS) ans\"atze have shown promise in variational Monte Carlo algorithms by their theoretical capability of representing any quantum state. However, the reason behind the practical improvement in their performance with…

Quantum Physics · Physics 2025-03-11 Sidhartha Dash , Luca Gravina , Filippo Vicentini , Michel Ferrero , Antoine Georges

Simulating quantum many-body dynamics on classical computers is a challenging problem due to the exponential growth of the Hilbert space. Artificial neural networks have recently been introduced as a new tool to approximate quantum-many…

Disordered Systems and Neural Networks · Physics 2022-05-25 Sheng-Hsuan Lin , Frank Pollmann

We present a symmetry-adapted extension of sample-based quantum diagonalization (SQD) that rigorously embeds space-group symmetry into the many-body subspace sampled by quantum hardware. The method is benchmarked on the two-leg ladder…

Quantum Physics · Physics 2025-05-05 Kosuke Nogaki , Steffen Backes , Tomonori Shirakawa , Seiji Yunoki , Ryotaro Arita