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Quantum machine learning could possibly become a valuable alternative to classical machine learning for applications in High Energy Physics by offering computational speed-ups. In this study, we employ a support vector machine with a…

Autonomous materials science, where active learning is used to navigate large compositional phase space, has emerged as a powerful vehicle to rapidly explore new materials. A crucial aspect of autonomous materials science is exploring new…

Materials Science · Physics 2026-01-21 Felix Adams , Daiwei Zhu , David W. Steuerman , A. Gilad Kusne , Ichiro Takeuchi

The importance of analyzing nontrivial datasets when testing quantum machine learning (QML) models is becoming increasingly prominent in literature, yet a cohesive framework for understanding dataset characteristics remains elusive. In this…

Quantum Physics · Physics 2025-08-28 Alona Sakhnenko , Christian B. Mendl , Jeanette M. Lorenz

Gaussian process regression generally does not scale to beyond a few thousands data points without applying some sort of kernel approximation method. Most approximations focus on the high eigenvalue part of the spectrum of the kernel…

Machine Learning · Statistics 2018-01-31 Yi Ding , Risi Kondor , Jonathan Eskreis-Winkler

With the significant advancement in quantum computation in the past couple of decades, the exploration of machine-learning subroutines using quantum strategies has become increasingly popular. Gaussian process regression is a widely used…

Quantum Physics · Physics 2018-03-07 Siddhartha Das , George Siopsis , Christian Weedbrook

Quantum computers solve intractable problems which classically require an exponentially long time to compute. With the development of large-scale experiments that claim quantum advantage, a vital issue has now emerged. What are the errors,…

Quantum Physics · Physics 2026-04-15 Ned Goodman , Alexander S. Dellios , Margaret D. Reid , Peter D. Drummond

The use of kernel functions is a common technique to extract important features from data sets. A quantum computer can be used to estimate kernel entries as transition amplitudes of unitary circuits. Quantum kernels exist that, subject to…

Quantum machine learning with quantum kernels for classification problems is a growing area of research. Recently, quantum kernel alignment techniques that parameterise the kernel have been developed, allowing the kernel to be trained and…

The quantum kernel method, a promising quantum machine learning algorithm, possesses substantial potential for demonstrating quantum advantage. Although the majority of the quantum kernel is constructed in the context of gate-based quantum…

Quantum Physics · Physics 2026-04-15 Hsiang-Wei Huang , Shen-Liang Yang , Chuan-Chi Huang , Yueh-Nan Chen , Hong-Bin Chen

Data representation in quantum state space offers an alternative function space for machine learning tasks. However, benchmarking these algorithms at a practical scale has been limited by ineffective simulation methods. We develop a quantum…

Quantum Physics · Physics 2024-11-15 Mekena Metcalf , Pablo Andrés-Martínez , Nathan Fitzpatrick

The interpolation of high-dimensional potential energy surfaces (PESs) is commonly done with physically-inspired deep-neural network models. In this work, we illustrate that Gaussian Processes (GPs) are also capable of interpolating…

Chemical Physics · Physics 2021-09-30 Rodrigo A. Vargas-Hernández , Jake R. Gardner

Gaussian Processes (GPs) are known to provide accurate predictions and uncertainty estimates even with small amounts of labeled data by capturing similarity between data points through their kernel function. However traditional GP kernels…

Machine Learning · Computer Science 2021-11-16 Ankur Mallick , Chaitanya Dwivedi , Bhavya Kailkhura , Gauri Joshi , T. Yong-Jin Han

The quest for precision in parameter estimation is a fundamental task in different scientific areas. The relevance of this problem thus provided the motivation to develop methods for the application of quantum resources to estimation…

Quantum Physics · Physics 2024-06-18 Valeria Cimini , Emanuele Polino , Mauro Valeri , Nicolò Spagnolo , Fabio Sciarrino

Quantum machine learning is considered one of the current research fields with immense potential. In recent years, Havl\'i\v{c}ek et al. [Nature 567, 209-212 (2019)] have proposed a quantum machine learning algorithm with quantum-enhanced…

Quantum Physics · Physics 2025-06-09 Chao Ding , Shi Wang , Yaonan Wang , Weibo Gao

We propose several approaches for solving differential equations (DEs) with quantum kernel methods. We compose quantum models as weighted sums of kernel functions, where variables are encoded using feature maps and model derivatives are…

Quantum Physics · Physics 2023-04-12 Annie E. Paine , Vincent E. Elfving , Oleksandr Kyriienko

In this thesis, I present several results on quantum statistical inference in the following two directions. Firstly, I demonstrate that quantum algorithms can be applied to enhance the computing and training of Gaussian processes (GPs), a…

Quantum Physics · Physics 2018-12-13 Zhikuan Zhao

Kernel methods have a wide spectrum of applications in machine learning. Recently, a link between quantum computing and kernel theory has been formally established, opening up opportunities for quantum techniques to enhance various existing…

Quantum Physics · Physics 2020-03-25 Carsten Blank , Daniel K. Park , June-Koo Kevin Rhee , Francesco Petruccione

Current technological advancements of quantum computers highlight the need for application-driven, practical and well-defined methods of benchmarking their performance. As the existing NISQ device's quality of two-qubit gate errors rate is…

Performance · Computer Science 2023-12-15 Krzysztof Kurowski , Piotr Rydlichowski , Konrad Wojciechowski , Tomasz Pecyna , Mateusz Slysz

The data encoding circuits used in quantum support vector machine (QSVM) kernels play a crucial role in their classification accuracy. However, manually designing these circuits poses significant challenges in terms of time and performance.…

Quantum Physics · Physics 2026-05-22 Floyd M. Creevey , Jamie A. Heredge , Martin E. Sevior , Lloyd C. L. Hollenberg

Gaussian Process Regression (GPR) is a nonparametric supervised learning method, widely valued for its ability to quantify uncertainty. Despite its advantages and broad applications, classical GPR implementations face significant…

Quantum Physics · Physics 2025-03-25 Junpeng Hu , Jinglai Li , Lei Zhang , Shi Jin