Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Log inSign up
Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Blog
Job Board
Q3AS

© 2026 Aqora Quantum S.A.S.

TermsPrivacyLegal Notice

Machine Learning Science and Technology

Variational quantum principal component analysis for Hilbert space Gaussian process regression

Kerem Bükrü, Ralf Sturm, Tjark Siefkes

Published Oct 15, 2026• 0 citations
Publisher

Abstract

Abstract Gaussian processes are widely used probabilistic models for regression and classification tasks. Their flexibility and ability to quantify uncertainties make them well-suited for many applications. However, their applicability to large datasets is limited by the cubic computational time complexity. While reduced-rank methods such as Hilbert space approximations reduce this complexity, scaling to very large datasets remains challenging. Quantum algorithms are promising candidates to further accelerate such computations. Quantum principal component analysis has previously been applied to Hilbert space Gaussian process regression to address this scaling limitation. However, its applicability is limited by the requirement for fault-tolerant quantum hardware. In this work, we present a hybrid quantum-classical model for reduced-rank Gaussian process regression, where we apply a quantum principal component analysis algorithm based on parameterized quantum circuits to Hilbert space Gaussian process regression. In noiseless simulations on a one-dimensional test function, the resulting model reaches a regression accuracy comparable to that of the exact Gaussian process and the classical Hilbert space Gaussian process. The framework uses shallow parameterized circuits and does not require fault-tolerant quantum hardware, which makes it a candidate for noisy intermediate-scale quantum devices.

DOI
10.1088/2632-2153/aeb504

Related papers

A Hybrid Quantum Solver for Gaussian Process Regression

Kerem Bükrü, Leger, Steffen, Hickmann, M. Lautaro +3 more

Gaussian processes are widely known for their ability to provide probabilistic predictions in supervised machine learning models. Their non-parametric nature and flexibility make them particularly effective for regression tasks. However, training a Gaussian process model using standard methods requires matrix inversions with a cubic time complexity, which poses significant computational challenges for inference on larger datasets. Quantum algorithms, such as the HHL algorithm, have been proposed as solutions that overcome the need for classical matrix inversions by efficiently solving linear systems of equations using quantum computers. However, to gain a computational advantage over classical algorithms, these algorithms require fault-tolerant quantum computers with a large number of qubits, which are not yet available. The Variational Quantum Linear Solver is a hybrid quantum-classical algorithm that solves linear systems of equations by optimizing the parameters of a variational quantum circuit using a classical computer. This method is especially suitable for noisy intermediate-scale quantum computers, as it does not require many qubits. It can be used to compute the posterior distribution of a Gaussian process by reformulating the matrix inversion into a set of linear systems of equations. We empirically demonstrate that using the Variational Quantum Linear Solver to perform inference for Gaussian process regression delivers regression quality comparable to that of classical methods.

arXiv:2510.15486•Oct 17, 2025•0 citations

Quantum-assisted Hilbert-space Gaussian process regression

Ahmad Farooq, Cristian A. Galvis-Florez, Simo Särkkä

Gaussian processes are probabilistic models that are commonly used as functional priors in machine learning. Due to their probabilistic nature, they can be used to capture prior information on the statistics of noise, smoothness of the functions, and training data uncertainty. However, their computational complexity quickly becomes intractable as the size of the data set grows. We propose a Hilbert-space approximation-based quantum algorithm for Gaussian process regression to overcome this limitation. Our method consists of a combination of classical basis function expansion with quantum computing techniques of quantum principal component analysis, conditional rotations, and Hadamard and tests. The quantum principal component analysis is used to estimate the eigenvalues, while the conditional rotations and the Hadamard and tests are employed to evaluate the posterior mean and variance of the Gaussian process. Our method provides polynomial computational complexity reduction over the classical method. Published by the American Physical Society 2024

arXiv:2402.00544•Physical Review A•May 7, 2024•5 citations

A quantum gradient descent algorithm for optimizing Gaussian process models

Junpeng Hu, Jinglai Li, Lei Zhang +1 more

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 scalability challenges, as they involve matrix operations with a cubic complexity in relation to the dataset size. This computational challenge is further compounded by the demand of optimizing the Gaussian Process (GP) model over its hyperparameters, rendering the total computational cost prohibitive for data intensive problems. To address this issue, we propose a quantum gradient descent algorithm to optimize the GP model. Taking advantage of recent advances in quantum algorithms for linear algebra, our algorithm achieves exponential speedup in computing the gradients of the log marginal likelihood. The entire gradient descent process is integrated into the quantum circuit. Through runtime analysis and error bounds, we demonstrate that our approach significantly improves the scalability of GPR model optimization, making it computationally feasible for large-scale applications.

arXiv:2503.17780•Mathematical Models and Methods in Applied Sciences•Apr 1, 2026•1 citation

Quantum-Assisted Gaussian Process Regression Using Random Fourier Features

Cristian A. Galvis-Florez, Ahmad Farooq, Simo Särkkä

Probabilistic machine learning models are distinguished by their ability to integrate prior knowledge of noise statistics, smoothness parameters, and training data uncertainty. A common approach involves modeling data with Gaussian processes; however, their computational complexity quickly becomes intractable as the training dataset grows. To address this limitation, we introduce a quantum-assisted algorithm for sparse Gaussian process regression based on the random Fourier feature kernel approximation. We start by encoding the data matrix into a quantum state using a multi-controlled unitary operation, which encodes the classical representation of the random Fourier features matrix used for kernel approximation. We then employ a quantum principal component analysis along with a quantum phase estimation technique to extract the spectral decomposition of the kernel matrix. We apply a conditional rotation operator to the ancillary qubit based on the eigenvalue. We then use Hadamard and swap tests to compute the mean and variance of the posterior Gaussian distribution. We achieve a polynomialorder computational speedup relative to the classical method.

IEEE International Conference on Quantum Software (QSW)•Jul 7, 2025•0 citations

Provable Quantum Algorithm Advantage for Gaussian Process Quadrature

Cristian A. Galvis-Florez, Ahmad Farooq, Simo Särkkä

The aim of this paper is to develop novel quantum algorithms for Gaussian process quadrature methods. Gaussian process quadratures are numerical integration methods where Gaussian processes are used as functional priors for the integrands to capture the uncertainty arising from the sparse function evaluations. Quantum computers have emerged as potential replacements for classical computers, offering exponential reductions in the computational complexity of machine learning tasks. In this paper, we combine Gaussian process quadratures and quantum computing by proposing a quantum low-rank Gaussian process quadrature method based on a Hilbert space approximation of the Gaussian process kernel and enhancing the quadrature using a quantum circuit. The method combines the quantum phase estimation algorithm with the quantum principal component analysis technique to extract information up to a desired rank. Then, Hadamard and SWAP tests are implemented to find the expected value and variance that determines the quadrature. We use numerical simulations of a quantum computer to demonstrate the effectiveness of the method. Furthermore, we provide a theoretical complexity analysis that shows a polynomial advantage over classical Gaussian process quadrature methods. The code is available at https://github.com/cagalvisf/Quantum_HSGPQ.

arXiv:2502.14467•Feb 20, 2025•0 citations

Experimental Quantum Principal Component Analysis via Parametrized Quantum Circuits

Tao Xin, Liangyu Che, Xi Cheng +5 more

Principal component analysis (PCA) is a widely applied but rather time-consuming tool in machine learning techniques. In 2014, Lloyd, Mohseni, and Rebentrost proposed a quantum PCA (qPCA) algorithm [Lloyd, Mohseni, and Rebentrost, Nat. Phys. 10, 631 (2014)NPAHAX1745-247310.1038/nphys3029] that still lacks experimental demonstration due to the experimental challenges in preparing multiple quantum state copies and implementing quantum phase estimations. Here, we propose a new qPCA algorithm using the hybrid classical-quantum control, where parameterized quantum circuits are optimized with simple measurement observables, which significantly reduces the experimental complexity. As one important PCA application, we implement a human face recognition process using the images from the Yale Face Dataset. By training our quantum processor, the eigenface information in the training dataset is encoded into the parameterized quantum circuit, and the quantum processor learns to recognize new face images from the test dataset with high fidelities. Our work paves a new avenue toward the study of qPCA applications in theory and experiment.

Physical Review Letters•Mar 18, 2021•60 citations
Abstract Gaussian processes are widely used probabilistic models for regression and classification tasks. Their flexibility and ability to quantify uncertainties make them well-suited for many applications. However, their applicability to large datasets is limited by the cubic computational time complexity. While reduced-rank methods such as Hilbert space approximations reduce this complexity, scaling to very large datasets remains challenging. Quantum algorithms are promising candidates to further accelerate such computations. Quantum principal component analysis has previously been applied to Hilbert space Gaussian process regression to address this scaling limitation. However, its applicability is limited by the requirement for fault-tolerant quantum hardware. In this work, we present a hybrid quantum-classical model for reduced-rank Gaussian process regression, where we apply a quantum principal component analysis algorithm based on parameterized quantum circuits to Hilbert space Gaussian process regression. In noiseless simulations on a one-dimensional test function, the resulting model reaches a regression accuracy comparable to that of the exact Gaussian process and the classical Hilbert space Gaussian process. The framework uses shallow parameterized circuits and does not require fault-tolerant quantum hardware, which makes it a candidate for noisy intermediate-scale quantum devices.
Gaussian processes are widely known for their ability to provide probabilistic predictions in supervised machine learning models. Their non-parametric nature and flexibility make them particularly effective for regression tasks. However, training a Gaussian process model using standard methods requires matrix inversions with a cubic time complexity, which poses significant computational challenges for inference on larger datasets. Quantum algorithms, such as the HHL algorithm, have been proposed as solutions that overcome the need for classical matrix inversions by efficiently solving linear systems of equations using quantum computers. However, to gain a computational advantage over classical algorithms, these algorithms require fault-tolerant quantum computers with a large number of qubits, which are not yet available. The Variational Quantum Linear Solver is a hybrid quantum-classical algorithm that solves linear systems of equations by optimizing the parameters of a variational quantum circuit using a classical computer. This method is especially suitable for noisy intermediate-scale quantum computers, as it does not require many qubits. It can be used to compute the posterior distribution of a Gaussian process by reformulating the matrix inversion into a set of linear systems of equations. We empirically demonstrate that using the Variational Quantum Linear Solver to perform inference for Gaussian process regression delivers regression quality comparable to that of classical methods.
Gaussian processes are probabilistic models that are commonly used as functional priors in machine learning. Due to their probabilistic nature, they can be used to capture prior information on the statistics of noise, smoothness of the functions, and training data uncertainty. However, their computational complexity quickly becomes intractable as the size of the data set grows. We propose a Hilbert-space approximation-based quantum algorithm for Gaussian process regression to overcome this limitation. Our method consists of a combination of classical basis function expansion with quantum computing techniques of quantum principal component analysis, conditional rotations, and Hadamard and tests. The quantum principal component analysis is used to estimate the eigenvalues, while the conditional rotations and the Hadamard and tests are employed to evaluate the posterior mean and variance of the Gaussian process. Our method provides polynomial computational complexity reduction over the classical method. Published by the American Physical Society 2024
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 scalability challenges, as they involve matrix operations with a cubic complexity in relation to the dataset size. This computational challenge is further compounded by the demand of optimizing the Gaussian Process (GP) model over its hyperparameters, rendering the total computational cost prohibitive for data intensive problems. To address this issue, we propose a quantum gradient descent algorithm to optimize the GP model. Taking advantage of recent advances in quantum algorithms for linear algebra, our algorithm achieves exponential speedup in computing the gradients of the log marginal likelihood. The entire gradient descent process is integrated into the quantum circuit. Through runtime analysis and error bounds, we demonstrate that our approach significantly improves the scalability of GPR model optimization, making it computationally feasible for large-scale applications.
Probabilistic machine learning models are distinguished by their ability to integrate prior knowledge of noise statistics, smoothness parameters, and training data uncertainty. A common approach involves modeling data with Gaussian processes; however, their computational complexity quickly becomes intractable as the training dataset grows. To address this limitation, we introduce a quantum-assisted algorithm for sparse Gaussian process regression based on the random Fourier feature kernel approximation. We start by encoding the data matrix into a quantum state using a multi-controlled unitary operation, which encodes the classical representation of the random Fourier features matrix used for kernel approximation. We then employ a quantum principal component analysis along with a quantum phase estimation technique to extract the spectral decomposition of the kernel matrix. We apply a conditional rotation operator to the ancillary qubit based on the eigenvalue. We then use Hadamard and swap tests to compute the mean and variance of the posterior Gaussian distribution. We achieve a polynomialorder computational speedup relative to the classical method.
The aim of this paper is to develop novel quantum algorithms for Gaussian process quadrature methods. Gaussian process quadratures are numerical integration methods where Gaussian processes are used as functional priors for the integrands to capture the uncertainty arising from the sparse function evaluations. Quantum computers have emerged as potential replacements for classical computers, offering exponential reductions in the computational complexity of machine learning tasks. In this paper, we combine Gaussian process quadratures and quantum computing by proposing a quantum low-rank Gaussian process quadrature method based on a Hilbert space approximation of the Gaussian process kernel and enhancing the quadrature using a quantum circuit. The method combines the quantum phase estimation algorithm with the quantum principal component analysis technique to extract information up to a desired rank. Then, Hadamard and SWAP tests are implemented to find the expected value and variance that determines the quadrature. We use numerical simulations of a quantum computer to demonstrate the effectiveness of the method. Furthermore, we provide a theoretical complexity analysis that shows a polynomial advantage over classical Gaussian process quadrature methods. The code is available at https://github.com/cagalvisf/Quantum_HSGPQ.
Principal component analysis (PCA) is a widely applied but rather time-consuming tool in machine learning techniques. In 2014, Lloyd, Mohseni, and Rebentrost proposed a quantum PCA (qPCA) algorithm [Lloyd, Mohseni, and Rebentrost, Nat. Phys. 10, 631 (2014)NPAHAX1745-247310.1038/nphys3029] that still lacks experimental demonstration due to the experimental challenges in preparing multiple quantum state copies and implementing quantum phase estimations. Here, we propose a new qPCA algorithm using the hybrid classical-quantum control, where parameterized quantum circuits are optimized with simple measurement observables, which significantly reduces the experimental complexity. As one important PCA application, we implement a human face recognition process using the images from the Yale Face Dataset. By training our quantum processor, the eigenface information in the training dataset is encoded into the parameterized quantum circuit, and the quantum processor learns to recognize new face images from the test dataset with high fidelities. Our work paves a new avenue toward the study of qPCA applications in theory and experiment.