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We provide an integration of the universal, perturbative explicitly correlated [2]$_\text{R12}$-correction in the context of the Variational Quantum Eigensolver (VQE). This approach is able to increase the accuracy of the underlying…

量子物理 · 物理学 2022-07-08 Philipp Schleich , Jakob S. Kottmann , Alán Aspuru-Guzik

The optimization of Variational Quantum Eigensolver is severely challenged by finite-shot sampling noise, which distorts the cost landscape, creates false variational minima, and induces statistical bias called winner's curse. We…

量子物理 · 物理学 2025-11-12 Vojtěch Novák , Silvie Illésová , Tomáš Bezděk , Ivan Zelinka , Martin Beseda

Variational Quantum Eigensolver (VQE) is a hybrid algorithm for finding the minimum eigenvalue/vector of a given Hamiltonian by optimizing a parametrized quantum circuit (PQC) using a classical computer. Sequential optimization methods,…

量子物理 · 物理学 2024-05-17 Katsuhiro Endo , Yuki Sato , Rudy Raymond , Kaito Wada , Naoki Yamamoto , Hiroshi C. Watanabe

Near-term quantum computers will be limited in the number of qubits on which they can process information as well as the depth of the circuits that they can coherently carry out. To-date, experimental demonstrations of algorithms such as…

化学物理 · 物理学 2023-10-18 Joel Bierman , Yingzhou Li , Jianfeng Lu

The variational quantum eigensolver (VQE) has emerged as one of the leading quantum algorithms for solving electronic structure problems on near-term noisy intermediate-scale quantum devices. However, its practical application to quantum…

化学物理 · 物理学 2026-03-24 Yanxian Tao , Lingyun Wan , Jie Liu

Variational Quantum Eigensolver (VQE) provides a powerful solution for approximating molecular ground state energies by combining quantum circuits and classical computers. However, estimating probabilistic outcomes on quantum hardware…

量子物理 · 物理学 2024-05-07 Senwei Liang , Linghua Zhu , Xiaolin Liu , Chao Yang , Xiaosong Li

Optimization-based samplers such as randomize-then-optimize (RTO) [2] provide an efficient and parallellizable approach to solving large-scale Bayesian inverse problems. These methods solve randomly perturbed optimization problems to draw…

统计计算 · 统计学 2019-10-29 Johnathan Bardsley , Tiangang Cui , Youssef Marzouk , Zheng Wang

The rapid progress in quantum computing has opened up new possibilities for tackling complex scientific problems. Variational quantum eigensolver (VQE) holds the potential to solve quantum chemistry problems and achieve quantum advantages.…

量子物理 · 物理学 2024-03-08 Linghua Zhu , Senwei Liang , Chao Yang , Xiaosong Li

Variational quantum eigensolver (VQE) emerged as a first practical algorithm for near-term quantum computers. Its success largely relies on the chosen variational ansatz, corresponding to a quantum circuit that prepares an approximate…

量子物理 · 物理学 2020-07-10 D. Chivilikhin , A. Samarin , V. Ulyantsev , I. Iorsh , A. R. Oganov , O. Kyriienko

We propose a quantum error mitigation strategy for the variational quantum eigensolver (VQE) algorithm. We find, via numerical simulation, that very small amounts of coherent noise in VQE can cause substantially large errors that are…

The objective to be minimized in the variational quantum eigensolver (VQE) has a restricted form, which allows a specialized sequential minimal optimization (SMO) that requires only a few observations in each iteration. However, the SMO…

Variational quantum circuits (VQCs) are an essential tool in applying noisy intermediate-scale quantum computers to practical problems. VQCs are used as a central component in many algorithms, for example, in quantum machine learning,…

量子物理 · 物理学 2025-12-18 Joona V. Pankkonen , Lauri Ylinen , Matti Raasakka , Ilkka Tittonen

The Variational Quantum Eigensolver (VQE) is a promising candidate for quantum applications on near-term Noisy Intermediate-Scale Quantum (NISQ) computers. Despite a lot of empirical studies and recent progress in theoretical understanding…

量子物理 · 物理学 2022-05-26 Xuchen You , Shouvanik Chakrabarti , Xiaodi Wu

Variational Quantum algorithms, especially Quantum Approximate Optimization and Variational Quantum Eigensolver (VQE) have established their potential to provide computational advantage in the realm of combinatorial optimization. However,…

量子物理 · 物理学 2023-07-11 Dheeraj Peddireddy , Utkarsh Priyam , Vaneet Aggarwal

By exploiting the invariance of the molecular Hamiltonian by a unitary transformation of the orbitals it is possible to significantly shorter the depth of the variational circuit in the Variational Quantum Eigensolver (VQE) algorithm by…

量子物理 · 物理学 2025-09-03 Leonardo Ratini , Chiara Capecci , Leonardo Guidoni

Quantum computing is an advanced area of computing that leverages the principles of quantum mechanics. Quantum computing holds the potential to revolutionize various fields by handling problems that are currently intractable for classical…

量子物理 · 物理学 2024-10-28 Xiaoan Lin

The Variational Quantum Eigensolver (VQE) is a hybrid quantum-classical algorithm for preparing ground states in the current era of noisy devices. The classical component of the algorithm requires a large number of measurements on…

量子物理 · 物理学 2025-03-27 Akib Karim , Shaobo Zhang , Muhammad Usman

Variational quantum algorithms (VQAs) offer the most promising path to obtaining quantum advantages via noisy intermediate-scale quantum (NISQ) processors. Such systems leverage classical optimization to tune the parameters of a…

量子物理 · 物理学 2022-09-26 Sharu Theresa Jose , Osvaldo Simeone

Variational Quantum Eigensolver (VQE) faces significant challenges due to hardware noise and the presence of barren plateaus and local traps in the optimization landscape. To mitigate the detrimental effects of these issues, we introduce a…

量子物理 · 物理学 2025-12-09 Chayan Patra , Rahul Maitra

The variational quantum eigensolver (VQE) is a promising method for simulating molecular systems on near-term quantum computers. This approach employs energy estimation; however, other relevant molecular properties can be extracted from the…

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