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Scaling quantum computers, i.e., quantum processing units (QPUs) to enable the execution of large quantum circuits is a major challenge, especially for applications that should provide a quantum advantage over classical algorithms. One…

Quantum Physics · Physics 2026-01-27 Leo Sünkel , Jonas Stein , Jonas Nüßlein , Tobias Rohe , Claudia Linnhoff-Popien

Solving electronic structure problems is considered one of the most promising applications of quantum computing. However, due to limitations imposed by the coherence time of qubits in the Noisy Intermediate Scale Quantum (NISQ) era or the…

Quantum Physics · Physics 2025-03-20 Shuo Sun , Chandan Kumar , Kevin Shen , Elvira Shishenina , Christian B. Mendl

Conventional clustering methods based on pairwise affinity usually suffer from the concentration effect while processing huge dimensional features yet low sample sizes data, resulting in inaccuracy to encode the sample proximity and…

Machine Learning · Computer Science 2023-02-06 Hongmin Cai , Fei Qi , Junyu Li , Yu Hu , Yue Zhang , Yiu-ming Cheung , Bin Hu

We present a self consistent field approach (SCF) within the Adaptive Derivative-Assembled Problem-Tailored Ansatz Variational Quantum Eigensolver (ADAPT-VQE) framework for efficient quantum simulations of chemical systems on near-term…

In this work, we give a hybrid quantum-classical algorithm for solving electronic structure problems of molecules using only linear quantum optical systems. The variational ansatz we proposed is a hybrid of non-interacting Boson dynamics…

We develop computationally affordable and encoding independent gradient evaluation procedures for unitary coupled-cluster type operators, applicable on quantum computers. We show that, within our framework, the gradient of an expectation…

Quantum Physics · Physics 2021-01-28 Jakob S. Kottmann , Abhinav Anand , Alán Aspuru-Guzik

We apply the microscopic coupled-cluster method (CCM) to the spin-$1\over2$ $XXZ$ models on both the one-dimensional chain and the two-dimensional square lattice. Based on a systematic approximation scheme of the CCM developed by us…

Condensed Matter · Physics 2017-08-24 R. F. Bishop , R. G. Hale , Y. Xian

A formal analysis is conducted on the exactness of various forms of unitary coupled cluster (UCC) theory based on particle-hole excitation and de-excitation operators. Both the conventional single exponential UCC parameterization and a…

Chemical Physics · Physics 2020-01-29 Francesco A. Evangelista , Garnet Kin-Lic Chan , Gustavo E. Scuseria

Clustering samples according to an effective metric and/or vector space representation is a challenging unsupervised learning task with a wide spectrum of applications. Among several clustering algorithms, k-means and its kernelized version…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-10-10 Marco Jacopo Ferrarotti , Sergio Decherchi , Walter Rocchia

We study a hardware-efficient variational quantum algorithm ansatz tailored for the trapped-ion quantum simulator, HEA-TI. We leverage programmable single-qubit rotations and global spin-spin interactions among all ions, reducing the…

Quantum Physics · Physics 2024-07-04 J. -Z. Zhuang , Y. -K. Wu , L. -M. Duan

We propose a sequential minimal optimization method for quantum-classical hybrid algorithms, which converges faster, is robust against statistical error, and is hyperparameter-free. Specifically, the optimization problem of the…

Quantum Physics · Physics 2020-11-04 Ken M. Nakanishi , Keisuke Fujii , Synge Todo

In recent years, machine-learning methods have become increasingly important for the experiments at the Large Hadron Collider (LHC). They are utilised in everything from trigger systems to reconstruction and data analysis. The recent…

Ordinary differential equations are widely-used in the field of systems biology and chemical engineering to model chemical reaction networks. Numerous techniques have been developed to estimate parameters like rate constants, initial…

Molecular Networks · Quantitative Biology 2012-07-06 Daniel Kaschek , Jens Timmer

Resource scheduling is critical in many industries, especially in power systems. The Unit Commitment problem determines the on/off status and output levels of generators under many constraints. Traditional exact methods, such as…

Systems and Control · Electrical Eng. & Systems 2025-11-04 Tyler Christeson , Md Habib Ullah , Ali Arabnya , Amin Khodaei , Rui Fan

With the aim of establishing a framework to efficiently perform the practical application of quantum chemistry simulation on near-term quantum devices, we envision a hybrid quantum--classical framework for leveraging problem decomposition…

Many near-term quantum computing algorithms are conceived as variational quantum algorithms, in which parameterized quantum circuits are optimized in a hybrid quantum-classical setup. Examples are variational quantum eigensolvers, quantum…

Quantum Physics · Physics 2022-05-17 Thomas Hubregtsen , Frederik Wilde , Shozab Qasim , Jens Eisert

Quantum algorithms are of great interest for their possible use in optimization problems. In particular, variational algorithms that use classical counterparts to optimize parameters hold promise for use in currently existing devices.…

Quantum Physics · Physics 2026-05-13 Bruno Oziel Fernandez , Rodrigo Bloot , Marcelo Moret

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,…

Quantum Physics · Physics 2025-12-18 Joona V. Pankkonen , Lauri Ylinen , Matti Raasakka , Ilkka Tittonen

Quantum algorithms are prominent in the pursuit of achieving quantum advantage in various computational tasks. However, addressing challenges, such as limited qubit coherence and high error rate in near-term devices, requires extensive…

Quantum Physics · Physics 2024-07-31 Julián Ferreiro-Vélez , Iñaki Iriarte-Zendoia , Yue Ban , Xi Chen

We present a procedure for averaging one-parameter random unitary groups and random self-adjoint groups. Central to this is a generalization of the notion of weak convergence of a sequence of measures and the corresponding generalization of…

Mathematical Physics · Physics 2021-07-13 John E. Gough , Yurii N. Orlov , Vsevolod Zh. Sakbaev , Oleg G. Smolyanov