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Within quantum machine learning, parametrized quantum circuits provide flexible quantum models, but their performance is often highly task-dependent, making manual circuit design challenging. Alternatively, quantum architecture search…

Deterministic quantum computation with one qubit (DQC1) is of significant theoretical and practical interest due to its computational advantages in certain problems, despite its subuniversality with limited quantum resources. In this work,…

Quantum Physics · Physics 2025-08-06 Yujin Kim , Daniel K. Park

In structure-based virtual screening, it is often necessary to evaluate the binding free energy of protein-ligand complexes by considering not only molecular conformations but also how these structures shift and rotate in space. The number…

Quantum Physics · Physics 2025-07-25 Pei-Kun Yang

Variational Quantum Circuits (VQC) lie at the forefront of quantum machine learning research. Still, the use of quantum networks for real data processing remains challenging as the number of available qubits cannot accommodate a large…

Quantum Physics · Physics 2024-09-06 G. Maragkopoulos , A. Mandilara , A. Tsili , D. Syvridis

Quantum chemistry calculations of large, strongly correlated systems are typically limited by the computation cost that scales exponentially with the size of the system. Quantum algorithms, designed specifically for quantum computers, can…

Designing effective quantum circuits remains a central challenge in quantum computing, as circuit structure strongly influences expressivity, trainability, and hardware feasibility. Current approaches, whether using manually designed…

Neural and Evolutionary Computing · Computer Science 2026-02-04 Devroop Kar , Daniel Krutz , Travis Desell

It is essential to select efficient topology of parameterized quantum circuits (PQCs) in variational quantum algorithms (VQAs). However, there are problems in current circuits, i.e. optimization difficulties caused by too many parameters or…

Quantum Physics · Physics 2023-08-22 Wenjie Liu , Qingshan Wu

Diagrammatic representations of quantum algorithms and circuits offer novel approaches to their design and analysis. In this work, we describe extensions of the ZX-calculus especially suitable for parameterized quantum circuits, in…

Quantum Physics · Physics 2023-11-16 Tobias Stollenwerk , Stuart Hadfield

Quantum Machine Learning (QML) aims to leverage the principles of quantum mechanics to speed up the process of solving machine learning problems or improve the quality of solutions. Among these principles, entanglement with an auxiliary…

Quantum Physics · Physics 2025-09-15 Alexander Mandl , Johanna Barzen , Marvin Bechtold , Frank Leymann , Lavinia Stiliadou

We present a new hybrid quantum-classical algorithm for optimizing unitary coupled-cluster (UCC) wave functions deemed the projective quantum eigensolver (PQE), amenable to near-term noisy quantum hardware. Contrary to variational quantum…

Quantum Physics · Physics 2021-08-10 Nicholas H. Stair , Francesco A. Evangelista

Quantum computing holds great potential for advancing the limitations of machine learning algorithms to handle higher dimensions of data and reduce overall training parameters in deep learning (DL) models. This study uses a trainable…

Quantum Physics · Physics 2023-12-05 Hao-Yuan Chen , Yen-Jui Chang , Shih-Wei Liao , Ching-Ray Chang

Classification using variational quantum circuits is a promising frontier in quantum machine learning. Quantum supervised learning (QSL) applied to classical data using variational quantum circuits involves embedding the data into a quantum…

Quantum Physics · Physics 2026-03-16 Yujin Kim , Changjae Im , Taehyun Kim , Tak Hur , Daniel K. Park

Quantum Machine Learning (QML) holds the promise of enhancing machine learning modeling in terms of both complexity and accuracy. A key challenge in this domain is the encoding of input data, which plays a pivotal role in determining the…

Molecular simulations are widely regarded as leading candidates to demonstrate quantum advantage--defined as the point at which quantum methods surpass classical approaches in either accuracy or scale. Yet the qubit counts and error rates…

Quantum Computing aims to streamline machine learning, making it more effective with fewer trainable parameters. This reduction of parameters can speed up the learning process and reduce the use of computational resources. However, in the…

Quantum Physics · Physics 2024-05-22 Michael Kölle , Timo Witter , Tobias Rohe , Gerhard Stenzel , Philipp Altmann , Thomas Gabor

In recent years, parameterized quantum circuits have been regarded as machine learning models within the framework of the hybrid quantum-classical approach. Quantum machine learning (QML) has been applied to binary classification problems…

Quantum Physics · Physics 2020-12-17 Teppei Suzuki , Michio Katouda

We present a novel method for determining gradients of parameterised quantum circuits (PQCs) in hybrid quantum-classical machine learning models by applying the multivariate version of the simultaneous perturbation stochastic approximation…

Quantum Physics · Physics 2022-11-28 Thomas Hoffmann , Douglas Brown

Quantum computers hold unprecedented potentials for machine learning applications. Here, we prove that physical quantum circuits are PAC (probably approximately correct) learnable on a quantum computer via empirical risk minimization: to…

Quantum Physics · Physics 2022-01-04 Haoyuan Cai , Qi Ye , Dong-Ling Deng

The development of quantum computers has been the stimulus that enables the realization of Quantum Machine Learning (QML), an area that integrates the calculational framework of quantum mechanics with the adaptive properties of classical…

Computational Engineering, Finance, and Science · Computer Science 2025-09-04 Bhavna Bose , Saurav Verma

Quantum chemistry simulations that accurately predict the properties of materials are among the most highly anticipated applications of quantum computing. It is widely believed that simulations running on quantum computers will allow for…

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