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The recently developed Projective Quantum Eigensolver (PQE) has been demonstrated as an elegant methodology to compute the ground state energy of molecular systems in Noisy Intermdiate Scale Quantum (NISQ) devices. The iterative…

Quantum Physics · Physics 2023-03-21 Sonaldeep Halder , Chayan Patra , Dibyendu Mondal , Rahul Maitra

The variational quantum eigensolver (VQE) is a promising algorithm for demonstrating quantum advantage in the noisy intermediate-scale quantum (NISQ) era. However, optimizing VQE from random initial starting parameters is challenging due to…

Quantum Physics · Physics 2023-10-20 Abid Khan , Bryan K. Clark , Norm M. Tubman

Variational quantum algorithm (VQA), which is comprised of a classical optimizer and a parameterized quantum circuit, emerges as one of the most promising approaches for harvesting the power of quantum computers in the noisy intermediate…

Quantum Physics · Physics 2021-12-01 Samuel Stein , Yufei Ding , Nathan Wiebe , Bo Peng , Karol Kowalski , Nathan Baker , James Ang , Ang Li

The state-of-the-art quantum computing hardware has entered the noisy intermediate-scale quantum (NISQ) era. Having been constrained by the limited number of qubits and shallow circuit depth, NISQ devices have nevertheless demonstrated the…

Quantum Physics · Physics 2022-06-23 Guanglei Xu , Yi-Bin Guo , Xuan Li , Zong-Sheng Zhou , Hai-Jun Liao , T. Xiang

Bayesian optimization (BO) is a powerful approach to sample-efficient optimization of black-box functions. However, in settings with very few function evaluations, a successful application of BO may require transferring information from…

Machine Learning · Computer Science 2024-09-10 Aryan Deshwal , Sait Cakmak , Yuhou Xia , David Eriksson

We formulate and implement the Variational Quantum Eigensolver Self Consistent Field (VQE-SCF) algorithm in combination with polarizable embedding (PE), thereby extending PE to the regime of quantum computing. We test the resulting…

This paper presents a hybrid quantum-classical approach to prime factorization. The proposed algorithm is based on the Variational Quantum Eigensolver (VQE), which employs a classical optimizer to find the ground state of a given…

Quantum Physics · Physics 2025-03-21 Mona Sobhani , Yahui Chai , Tobias Hartung , Karl Jansen

We experimentally demonstrate a qubit-efficient variational quantum eigensolver (VQE) algorithm using a superconducting quantum processor, employing minimal quantum resources with only a transmon qubit coupled to a high-coherence photonic…

We propose a machine-learning approach based on Bayesian optimization to build global potential energy surfaces (PES) for reactive molecular systems using feedback from quantum scattering calculations. The method is designed to correct for…

Chemical Physics · Physics 2019-03-27 R. A. Vargas-Hernández , Y. Guan , D. H. Zhang , R. V. Krems

Variational hybrid quantum-classical optimization represents one of the most promising avenue to show the advantage of nowadays noisy intermediate-scale quantum computers in solving hard problems, such as finding the minimum-energy state of…

Quantum Physics · Physics 2020-11-18 Laura Gentini , Alessandro Cuccoli , Stefano Pirandola , Paola Verrucchi , Leonardo Banchi

Bayesian optimization (BO) is one of the most effective methods for closed-loop experimental design and black-box optimization. However, a key limitation of BO is that it is an inherently sequential algorithm (one experiment is proposed per…

Machine Learning · Statistics 2023-11-21 Leonardo D. González , Victor M. Zavala

The variational quantum eigensolver (VQE) stands as a prominent quantum-classical hybrid algorithm for near-term quantum computers to obtain the ground states of molecular Hamiltonians in quantum chemistry. However, due to the…

Quantum Physics · Physics 2024-02-28 Chenfeng Cao , Hiroshi Yano , Yuya O. Nakagawa

The quantum-classical hybrid variational quantum eigensolver (VQE) algorithm is arguably the most popular noisy intermediate-scale quantum (NISQ) era approach to quantum chemistry. We consider the underexplored quantum annealing eigensolver…

Variational quantum-classical hybrid algorithms are seen as a promising strategy for solving practical problems on quantum computers in the near term. While this approach reduces the number of qubits and operations required from the quantum…

Quantum Physics · Physics 2022-03-07 Ali Rad , Alireza Seif , Norbert M. Linke

The variational quantum eigensolver (VQE) framework has been instrumental in advancing near-term quantum algorithms. However, parameter optimization remains a significant bottleneck for VQE, requiring a large number of measurements for…

Chemical Physics · Physics 2024-06-26 Weitang Li , Yufei Ge , Shixin Zhang , Yuqin Chen , Shengyu Zhang

Quantum chemistry is one of the most promising applications of quantum computers in the near future. For noisy intermediate-scale quantum devices, the quantum-classical hybrid framework based on the variational quantum eigensolver (VQE) has…

Current quantum computers are limited in the number of qubits and coherence time, constraining the algorithms executable with sufficient fidelity. The variational quantum eigensolver (VQE) is an algorithm to find an approximate ground state…

Quantum Physics · Physics 2023-01-24 Luca Erhart , Kosuke Mitarai , Wataru Mizukami , Keisuke Fujii

This work studies the variational quantum eigensolver algorithm, designed to determine the ground state of a quantum mechanical system by combining classical and quantum hardware. Methods of reducing the number of required qubit…

Quantum Physics · Physics 2022-03-01 R. J. P. T. de Keijzer , V. E. Colussi , B. Škorić , S. J. J. M. F. Kokkelmans

Current quantum computers suffer from non-stationary noise channels with high error rates, which undermines their reliability and reproducibility. We propose a Bayesian inference-based adaptive algorithm that can learn and mitigate quantum…

Quantum Physics · Physics 2023-08-30 Samudra Dasgupta , Arshag Danageozian , Travis S. Humble

The variational quantum eigensolver (VQE) is one of the most promising algorithms for low-lying eigenstates calculation on Noisy Intermediate-Scale Quantum (NISQ) computers. Specifically, VQE has achieved great success for ground state…

Numerical Analysis · Mathematics 2025-12-19 Hengzhun Chen , Yingzhou Li , Bichen Lu , Jianfeng Lu