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arXiv:2503.17780 · Mathematical Models and Methods in Applied Sciences

A quantum gradient descent algorithm for optimizing Gaussian process models

Junpeng Hu, Jinglai Li, Lei Zhang, Shi Jin

Published Apr 1, 2026• 1 citation
arXivHTMLPDF

Abstract

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.

DOI
10.1142/s0218202526420042

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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.
Gaussian processes (GPs) are a widely used model for regression problems in supervised machine learning. Implementation of GP regression typically requires O(n3)O({n}^{3})O(n3) logic gates. We show that the quantum linear systems algorithm [Harrow et al., Phys. Rev. Lett. 103, 150502 (2009)] can be applied to Gaussian process regression (GPR), leading to an exponential reduction in computation time in some instances. We show that even in some cases not ideally suited to the quantum linear systems algorithm, a polynomial increase in efficiency still occurs.
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.
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.
The Gaussian process is a widely used model for regression problems in supervised machine learning. However, predicting new inputs via a Gaussian process model becomes computationally inefficient when training a large data set. This paper proposes a fast quantum algorithm for prediction based on the Gaussian process regression. The proposed quantum algorithm consists of two subalgorithms: the first one aims to efficiently prepare the squared exponential covariance matrices and covariance functions vector with annihilation and creation operators; the other is to obtain predictive mean values and covariance values for new inputs. Evidence is also shown that the proposed quantum Gaussian process regression algorithm can achieve quadratic speedup over the classical counterpart.
Abstract Gaussian Process Regression is a machine learning technique with established applications for which several quantum algorithms have been proposed. We show here that in a wide range of scenarios these algorithms show no exponential speedup. We achieve this by rigorously proving that the condition number of a kernel matrix scales at least linearly with the matrix size under general assumptions on the data and kernel. We additionally prove that the sparsity and Frobenius norm of a kernel matrix scale linearly under similar assumptions. Our results give similar conclusions for kernel ridge regression and quantum support vector machines under the same assumptions. The implications for the quantum algorithms runtime are independent of the complexity of loading classical data on a quantum computer and also apply to dequantised algorithms. We supplement our theoretical analysis with numerical verification for popular kernels in machine learning.
Logistic regression (LR) is an important machine learning model for classification, with wide applications in text classification, image analysis and medicine diagnosis, etc. However, training LR generally entails an iterative gradient descent method, and is quite time consuming when processing big data sets. To solve this problem, we present a quantum algorithm for LR to implement the key task of the gradient descent method, obtaining the classical gradients in each iteration. It is shown that our algorithm achieves exponential speedup over its classical counterpart in each iteration when the dimension of each data point M grows polylogarithmically with the number of data points N, i.e.,M=O(polylog N). It is worth noting that the optimal model parameters are finally derived by performing simple calculations on the obtained gradients. So once the optimal model parameters are determined, one can use them to classify new data at little cost.