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Sample-based quantum diagonalization (SQD) constructs subspaces from computational-basis configurations obtained via measurements of a quantum state, with the goal of approximating low-energy eigenspaces of many-body Hamiltonians. The…

Quantum Physics · Physics 2026-05-07 Cedric Gaberle , Manpreet Singh Jattana

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

Near-term quantum devices provide only finite-shot measurements and prepare imperfect, contaminated states. This motivates algorithms that convert samples into reliable low-energy estimates without full tomography or exhaustive…

Quantum Physics · Physics 2026-05-12 Rinka Miura

Sample-based quantum diagonalization (SQD) is a hybrid quantum-classical algorithm for estimating ground-state energies in electronic-structure calculations. It uses a quantum processor as a sampler to construct a variational subspace, with…

Quantum Physics · Physics 2026-04-21 Byeongyong Park , Sanha Kang , Jongseok Seo , Juhee Baek , Doyeol Ahn , Keunhong Jeong

A new basis adaptive algorithm for hybrid quantum-classical platforms is introduced to efficiently find the ground-state (gs) properties of quantum many-body systems. The method addresses limitations of many algorithms, such as Variational…

Strongly Correlated Electrons · Physics 2025-12-16 Anutosh Biswas , Sayan Ghosh , Ritajit Majumdar , Mostafizur Rahaman , Manoranjan Kumar

Sample-based quantum diagonalization (SQD) is an algorithm for hybrid quantum-classical molecular simulation that has been of broad interest for application with noisy intermediate scale quantum (NISQ) devices. However, SQD does not always…

Quantum Physics · Physics 2025-12-05 L. Andrew Wray , Cheng-Ju Lin , Vincent Su , Hrant Gharibyan

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

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

We propose a hybrid variational framework that enhances Neural Quantum States (NQS) with a Normalising Flow-based sampler to improve the expressivity and trainability of quantum many-body wavefunctions. Our approach decouples the sampling…

Quantum Physics · Physics 2025-06-17 Vishal S. Ngairangbam , Michael Spannowsky , Timur Sypchenko

Recent research has demonstrated the usefulness of neural networks as variational ansatz functions for quantum many-body states. However, high-dimensional sampling spaces and transient autocorrelations confront these approaches with a…

Quantum Physics · Physics 2021-11-29 Robert Klassert , Andreas Baumbach , Mihai A. Petrovici , Martin Gärttner

Subspace diagonalization techniques based on quantum sampling, such as quantum selected configuration interaction (QSCI) and sample-based quantum diagonalization (SQD), have recently emerged as promising quantum-centric approaches for…

Quantum Physics · Physics 2026-05-28 Han Xu , Tomonori Shirakawa , Seiji Yunoki

Artificial neural networks have been recently introduced as a general ansatz to compactly represent many- body wave functions. In conjunction with Variational Monte Carlo, this ansatz has been applied to find Hamil- tonian ground states and…

Strongly Correlated Electrons · Physics 2018-10-24 Kenny Choo , Giuseppe Carleo , Nicolas Regnault , Titus Neupert

In quantum embedding theories, a quantum many-body system is divided into localized clusters of sites which are treated with an accurate `high-level' theory and glued together self-consistently by a less accurate `low-level' theory at the…

Optimization and Control · Mathematics 2021-06-08 Yuehaw Khoo , Michael Lindsey

We introduce a sum-of-squares SDP hierarchy approximating the ground-state energy from below for quantum many-body problems, with a natural quantum embedding interpretation. We establish the connections between our approach and other…

Quantum Physics · Physics 2023-05-31 Bowen Li , Jianfeng Lu

Accurate ground-state energy calculations remain a central challenge in quantum chemistry due to the exponential scaling of the many-body Hilbert space. Variational Monte Carlo and variational quantum eigensolvers offer promising ansatz…

Quantum Physics · Physics 2026-03-27 Shane Thompson , Daniel Gunlycke

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

Large-scale distributed training of deep neural networks results in models with worse generalization performance as a result of the increase in the effective mini-batch size. Previous approaches attempt to address this problem by varying…

Machine Learning · Computer Science 2020-02-17 Kazuki Osawa , Yohei Tsuji , Yuichiro Ueno , Akira Naruse , Chuan-Sheng Foo , Rio Yokota

We present a deep neural network (DNN)-based model (HubbardNet) to variationally find the ground state and excited state wavefunctions of the one-dimensional and two-dimensional Bose-Hubbard model. Using this model for a square lattice with…

Strongly Correlated Electrons · Physics 2023-09-04 Ziyan Zhu , Marios Mattheakis , Weiwei Pan , Efthimios Kaxiras

Classical simulation of many-body quantum systems remains economical only when wavefunction amplitudes stay localized in the working basis. Fixed-basis sparse-state simulators scale memory as $\mathcal{O}(k)$ by keeping the largest…

Quantum Physics · Physics 2026-05-27 Ch Nihar Kartikeya , Anjana K , Bijita Sarma , Sangkha Borah

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
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