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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…

Quantum Physics · Physics 2022-09-26 Sharu Theresa Jose , Osvaldo Simeone

The variational quantum eigensolver (VQE) is a hybrid algorithm that has the potential to provide a quantum advantage in practical chemistry problems that are currently intractable on classical computers. VQE trains parameterized quantum…

Quantum Physics · Physics 2023-11-10 Quoc Hoan Tran , Shinji Kikuchi , Hirotaka Oshima

We present a general quantum circuit design for finding eigenvalues of non-unitary matrices on quantum computers using the iterative phase estimation algorithm. In particular, we show how the method can be used for the simulation of…

Quantum Physics · Physics 2013-11-01 Anmer Daskin , Ananth Grama , Sabre Kais

The development of Fault-Tolerant Quantum Computer (FTQC) gradually raises a possibility to implement the Quantum Phase Estimation (QPE) algorithm. However, QPE works only for normalized systems. This requires the minimum and maximum of…

Quantum Physics · Physics 2021-11-19 Hikaru Wakaura , Andriyan B. Suksmono

The computation of electronic structure properties at the quantum level is a crucial aspect of modern physics research. However, conventional methods can be computationally demanding for larger, more complex systems. To address this issue,…

Quantum Physics · Physics 2023-12-05 Nouhaila Innan , Muhammad Al-Zafar Khan , Mohamed Bennai

Hybrid algorithms that combine quantum and classical resources have become commonplace in quantum computing. The variational quantum eigensolver (VQE) is routinely used to solve prototype problems. Currently, hybrid algorithms use no more…

Quantum Physics · Physics 2024-08-27 Manpreet Singh Jattana

Variational quantum algorithms are expected to demonstrate the advantage of quantum computing on near-term noisy quantum computers. However, training such variational quantum algorithms suffers from gradient vanishing as the size of the…

Quantum Physics · Physics 2021-11-30 Anbang Wu , Gushu Li , Yuke Wang , Boyuan Feng , Yufei Ding , Yuan Xie

One of the most important topics in quantum scientific computing is solving differential equations. In this paper, generalized quantum functional expansion (QFE) framework is proposed. In the QFE framework, a functional expansion of…

Quantum Physics · Physics 2024-09-30 Jinhwan Sul , Yan Wang

Variational quantum eigensolver (VQE) is demonstrated to be the promising methodology for quantum chemistry based on near-term quantum devices. However, many problems are yet to be investigated for this methodology, such as the influences…

Chemical Physics · Physics 2021-01-18 Xian-Hu Zha , Chao Zhang , Dengdong Fan , Pengxiang Xu , Shiyu Du , Rui-Qin Zhang , Chen Fu

We present a novel method for improving the quantum simulation of the ground state energy of molecules. We perform a pre-processing step classically, which reduces the dimensionality of the problem by generating a custom mapping which…

Quantum Physics · Physics 2023-03-03 Kaur Kristjuhan , Mark Nicholas Jones

Generalized eigenvalue problems (GEPs) find applications in various fields of science and engineering. For example, principal component analysis, Fisher's discriminant analysis, and canonical correlation analysis are specific instances of…

Machine Learning · Computer Science 2024-11-05 Zhaoqiang Liu , Wen Li , Junren Chen

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

This paper develops a new class of algorithms for general linear systems and eigenvalue problems. These algorithms apply fast randomized sketching to accelerate subspace projection methods, such as GMRES and Rayleigh--Ritz. This approach…

Numerical Analysis · Mathematics 2022-02-17 Yuji Nakatsukasa , Joel A. Tropp

In this paper we analyze and solve eigenvalue programs, which consist of the task of minimizing a function subject to constraints on the "eigenvalues" of the decision variable. Here, by making use of the FTvN systems framework introduced by…

Optimization and Control · Mathematics 2024-07-19 Masaru Ito , Bruno F. Lourenço

Quantum amplitude estimation is one of the core subroutines in quantum algorithms. This paper gives a parallelized amplitude estimation (PAE) algorithm that simultaneously achieves near-Heisenberg scaling in the total number of queries and…

Quantum Physics · Physics 2026-04-10 Kohei Oshio , Kaito Wada , Naoki Yamamoto

The electronic structure problem is one of the main problems in modern theoretical chemistry. While there are many already-established methods both for the problem itself and its applications like semi-classical or quantum dynamics, it…

Quantum Physics · Physics 2024-10-25 Martin Beseda , Silvie Illésová , Saad Yalouz , Bruno Senjean

A central challenge in quantum machine learning is the design and training of parameterized quantum circuits (PQCs). Similar to deep learning, vanishing gradients pose immense problems in the trainability of PQCs, which have been shown to…

The variational quantum eigensolver (VQE) is a hybrid quantum-classical algorithm for finding the minimum eigenvalue of a Hamiltonian that involves the optimization of a parameterized quantum circuit. Since the resulting optimization…

Variational Quantum Eigensolvers (VQEs) are a leading class of noisy intermediate-scale quantum (NISQ) algorithms with broad applications in quantum physics and quantum chemistry. However, as system size increases, VQE optimization is…

Quantum Physics · Physics 2025-07-16 Chi Zhang , Lei Jiang , Fan Chen

The quantum phase estimation (QPE) is one of the fundamental algorithms based on the quantum Fourier transform. It has applications in order-finding, factoring, and finding the eigenvalues of unitary operators. The major challenge in…

Quantum Physics · Physics 2023-12-05 Muhammad Faizan , Muhammad Faryad
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