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Quantum algorithms for simulating large and complex molecular systems are still in their infancy, and surpassing state-of-the-art classical techniques remains an ever-receding goal post. A promising avenue of inquiry in the meanwhile is to…

Quantum Physics · Physics 2025-08-07 Soohaeng Yoo Willow , D. ChangMo Yang , Chang Woo Myung

Machine learning has been increasingly utilized in the field of biomedical research to accelerate the drug discovery process. In recent years, the emergence of quantum computing has been followed by extensive exploration of quantum machine…

Variational quantum algorithms (VQAs) incorporate hybrid quantum-classical computation aimed at harnessing the power of noisy intermediate-scale quantum (NISQ) computers to solve challenging computational problems. In this thesis, three…

Quantum Physics · Physics 2025-02-18 Mirko Consiglio

Variational quantum algorithms (VQAs) utilize a hybrid quantum-classical architecture to recast problems of high-dimensional linear algebra as ones of stochastic optimization. Despite the promise of leveraging near- to intermediate-term…

Quantum Physics · Physics 2022-11-08 Oliver Knitter , James Stokes , Shravan Veerapaneni

We show that nonlinear problems including nonlinear partial differential equations can be efficiently solved by variational quantum computing. We achieve this by utilizing multiple copies of variational quantum states to treat…

Quantum Physics · Physics 2020-01-15 Michael Lubasch , Jaewoo Joo , Pierre Moinier , Martin Kiffner , Dieter Jaksch

Variational quantum algorithms (VQAs) provide a promising approach to achieve quantum advantage in the noisy intermediate-scale quantum era. In this era, quantum computers experience high error rates and quantum error detection and…

Emerging Technologies · Computer Science 2021-09-07 Salonik Resch , Anthony Gutierrez , Joon Suk Huh , Srikant Bharadwaj , Yasuko Eckert , Gabriel Loh , Mark Oskin , Swamit Tannu

Quantum computing has brought a paradigm change in computer science, where non-classical technologies have promised to outperform their classical counterpart. Such an advantage was only demonstrated for tasks without practical applications,…

Quantile regression (QR) is a powerful tool for estimating one or more conditional quantiles of a target variable $\mathrm{Y}$ given explanatory features $\boldsymbol{\mathrm{X}}$. A limitation of QR is that it is only defined for scalar…

Computation · Statistics 2023-06-05 Aviv A. Rosenberg , Sanketh Vedula , Yaniv Romano , Alex M. Bronstein

Quantum simulation of chemical systems is one of the most promising near-term applications of quantum computers. The variational quantum eigensolver, a leading algorithm for molecular simulations on quantum hardware, has a serious…

Quantum Physics · Physics 2019-07-16 Harper R. Grimsley , Sophia E. Economou , Edwin Barnes , Nicholas J. Mayhall

Many applications of quantum computing in the near term rely on variational quantum circuits (VQCs). They have been showcased as a promising model for reaching a quantum advantage in machine learning with current noisy intermediate scale…

Quantum Physics · Physics 2022-10-25 Jonas Landman , Slimane Thabet , Constantin Dalyac , Hela Mhiri , Elham Kashefi

The state-of-the-art machine learning approaches are based on classical von Neumann computing architectures and have been widely used in many industrial and academic domains. With the recent development of quantum computing, researchers and…

Machine Learning · Computer Science 2020-07-21 Samuel Yen-Chi Chen , Chao-Han Huck Yang , Jun Qi , Pin-Yu Chen , Xiaoli Ma , Hsi-Sheng Goan

We present and benchmark quantum computing approaches for calculating real-time single-particle Green's functions and nonlinear susceptibilities of Hamiltonian systems. The approaches leverage adaptive variational quantum algorithms for…

Quantum Physics · Physics 2025-11-17 Martin Mootz , Thomas Iadecola , Yong-Xin Yao

Quantum Computing is believed to be the ultimate solution for quantum chemistry problems. Before the advent of large-scale, fully fault-tolerant quantum computers, the variational quantum eigensolver~(VQE) is a promising heuristic quantum…

Quantum Physics · Physics 2023-12-06 Chu Guo , Yi Fan , Zhiqian Xu , Honghui Shang

The dynamic linear response of a quantum system is critical for understanding both the structure and dynamics of strongly-interacting quantum systems, including neutron scattering from materials, photon and electron scattering from atomic…

Quantum Physics · Physics 2019-09-18 Alessandro Roggero , Joseph Carlson

Recent days have witnessed significant interests in applying quantum-enhanced techniques for solving a variety of machine learning tasks. Variational methods that use quantum resources of imperfect quantum devices with the help of classical…

Quantum Physics · Physics 2021-11-15 Hiroshi Yano , Yudai Suzuki , Kohei M. Itoh , Rudy Raymond , Naoki Yamamoto

Quantum compiling aims to construct a quantum circuit V by quantum gates drawn from a native gate alphabet, which is functionally equivalent to the target unitary U. It is a crucial stage for the running of quantum algorithms on noisy…

Quantum Physics · Physics 2021-03-23 Zhimin He , Lvzhou Li , Shenggen Zheng , Yongyao Li , Haozhen Situ

Quantum computers hold promise to enable efficient simulations of the properties of molecules and materials; however, at present they only permit ab initio calculations of a few atoms, due to a limited number of qubits. In order to harness…

Materials Science · Physics 2020-07-07 He Ma , Marco Govoni , Giulia Galli

Recent practical approaches for the use of current generation noisy quantum devices in the simulation of quantum many-body problems have been dominated by the use of a variational quantum eigensolver (VQE). These coupled quantum-classical…

Quantum Physics · Physics 2021-09-15 Hongxiang Chen , Max Nusspickel , Jules Tilly , George H. Booth

This work presents a comprehensive overview of variational quantum computing and their key role in advancing quantum simulation. This work explores the simulation of quantum systems and sets itself apart from approaches centered on…

Quantum Physics · Physics 2026-02-04 Lucas Q. Galvão , Anna Beatriz M. de Souza , Marcelo A. Moret , Clebson Cruz

The variational principle serves as a fundamental framework for describing equilibrium states of physical systems via the minimization or extremization of an energy-like functional. While quantum algorithms have demonstrated promising…

Quantum Physics · Physics 2025-08-26 Katsuhiro Endo , Kazuaki Z. Takahashi