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In the quest to achieve scalable quantum information processing technologies, gradient-based optimal control algorithms (e.g., GRAPE) are broadly used for implementing high-precision quantum gates, but their performance is often hindered by…

Quantum Physics · Physics 2019-01-31 Re-Bing Wu , Bing Chu , David Owens , Herschel Rabitz

Solving combinatorial optimization problems using variational quantum algorithms (VQAs) might be a promise application in the NISQ era. However, the limited trainability of VQAs could hinder their scalability to large problem sizes. In this…

Quantum Physics · Physics 2026-05-26 Shengbin Wang , Guihui Li , Zhimin Wang , Zhaoyun Chen , Peng Wang , Yongjian Gu , Yu-Chun Wu , Guo-Ping Guo

In recent years, the Variational Quantum Eigensolver (VQE) has emerged as one of the most popular algorithms for solving the electronic structure problem on near-term quantum computers. The utility of VQE is often hindered by the…

Quantum Physics · Physics 2026-02-04 M. R. Nirmal , Ankit Khandelwal , Manoj Nambiar , Sharma S. R. K. C. Yamijala

Calculations of molecular spectral properties, like photodissociation rates and absorption bands, rely on knowledge of the excited state energies of the molecule of interest. Protocols based on the variational quantum eigensolver (VQE) are…

Quantum Physics · Physics 2021-10-19 Yordan S. Yordanov , Crispin H. W. Barnes , David R. M. Arvidsson-Shukur

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…

Quantum Physics · Physics 2022-07-08 Philipp Schleich , Jakob S. Kottmann , Alán Aspuru-Guzik

We develop a quantum-classical hybrid algorithm to calculate the analytical second-order derivative of the energy for the orbital-optimized variational quantum eigensolver (OO-VQE), which is a method to calculate eigenenergies of a given…

Chemical Physics · Physics 2023-04-19 Yuya O. Nakagawa , Jiabao Chen , Shotaro Sudo , Yu-ya Ohnishi , Wataru Mizukami

In the emergent realm of quantum computing, the Variational Quantum Eigensolver (VQE) stands out as a promising algorithm for solving complex quantum problems, especially in the noisy intermediate-scale quantum (NISQ) era. However, the…

Quantum Physics · Physics 2024-03-13 Subhasree Bhattacharjee , Soumyadip Sarkar , Kunal Das , Bikramjit Sarkar

Data clipping is crucial in reducing noise in quantization operations and improving the achievable accuracy of quantization-aware training (QAT). Current practices rely on heuristics to set clipping threshold scalars and cannot be shown to…

Machine Learning · Computer Science 2022-06-15 Charbel Sakr , Steve Dai , Rangharajan Venkatesan , Brian Zimmer , William J. Dally , Brucek Khailany

Quantum computation places very stringent demands on gate fidelities, and experimental implementations require both the controls and the resultant dynamics to conform to hardware-specific constraints. Superconducting qubits present the…

Quantum Physics · Physics 2018-04-11 Shai Machnes , Elie Assémat , David J. Tannor , Frank K. Wilhelm

This paper introduces a unified framework for accelerated gradient methods through the variable and operator splitting (VOS). The operator splitting decouples the optimization process into simpler subproblems, and more importantly, the…

Optimization and Control · Mathematics 2025-05-08 Long Chen , Luo Hao , Jingrong Wei

Measuring the state of quantum computers is a highly non-trivial task, with implications for virtually all quantum algorithms. We propose a novel scheme where identical copies of a quantum state are measured jointly so that all Pauli…

Quantum Physics · Physics 2025-09-03 Rick P. A. Simon , Zheng Shi , Charlie Nation , Andrew Jena , Luca Dellantonio

Quantization is a fundamental optimization for many machine-learning use cases, including compressing gradients, model weights and activations, and datasets. The most accurate form of quantization is \emph{adaptive}, where the error is…

Machine Learning · Computer Science 2025-08-01 Ran Ben-Basat , Yaniv Ben-Itzhak , Michael Mitzenmacher , Shay Vargaftik

Solving the electronic structure problem using the Variational Quantum Eigensolver (VQE) technique involves measurement of the Hamiltonian expectation value. Current hardware can perform only projective single-qubit measurements, and thus,…

Quantum Physics · Physics 2020-04-22 Vladyslav Verteletskyi , Tzu-Ching Yen , Artur F. Izmaylov

In recent years, Variational Quantum Algorithms (VQAs) have emerged as a promising approach for solving optimization problems on quantum computers in the NISQ era. However, one limitation of VQAs is their reliance on fixed-structure…

Quantum Physics · Physics 2026-03-03 Gloria Turati , Maurizio Ferrari Dacrema , Paolo Cremonesi

The logarithm-determinant is an widely-present operation in many areas of physics and computer science. Derivatives of the logarithm-determinant compute physically relevant quantities in statistical physics models, quantum field theories,…

Quantum Physics · Physics 2025-09-23 Thomas E. Baker , Jaimie A. Greasley

Residual neural networks can be viewed as the forward Euler discretization of an Ordinary Differential Equation (ODE) with a unit time step. This has recently motivated researchers to explore other discretization approaches and train ODE…

Machine Learning · Computer Science 2019-07-02 Amir Gholami , Kurt Keutzer , George Biros

The variational quantum eigensolver (VQE) algorithm combines the ability of quantum computers to efficiently compute expectation values with a classical optimization routine in order to approximate ground state energies of quantum systems.…

Pulses to steer the time evolution of quantum systems can be designed with optimal control theory. In most cases it is the coherent processes that can be controlled and one optimizes the time evolution towards a target unitary process,…

Quantum Physics · Physics 2015-06-22 Daniel J. Egger , Frank K. Wilhelm

The advent of cloud quantum computing has led to the rapid development of quantum algorithms. In particular, it is necessary to study variational quantum-classical hybrid algorithms, which are executable on noisy intermediate-scale quantum…

Quantum Physics · Physics 2020-07-02 Ikko Hamamura , Takashi Imamichi

Algorithms for bandit convex optimization and online learning often rely on constructing noisy gradient estimates, which are then used in appropriately adjusted first-order algorithms, replacing actual gradients. Depending on the properties…

Machine Learning · Computer Science 2020-07-07 Xiaowei Hu , Prashanth L. A. , András György , Csaba Szepesvári