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arXiv:2101.11020

Supervised quantum machine learning models are kernel methods

Maria Schuld

Published Jan 26, 2021• 173 citations
arXivHTMLPDF

Abstract

With near-term quantum devices available and the race for fault-tolerant quantum computers in full swing, researchers became interested in the question of what happens if we replace a supervised machine learning model with a quantum circuit. While such "quantum models" are sometimes called "quantum neural networks", it has been repeatedly noted that their mathematical structure is actually much more closely related to kernel methods: they analyse data in high-dimensional Hilbert spaces to which we only have access through inner products revealed by measurements. This technical manuscript summarises and extends the idea of systematically rephrasing supervised quantum models as a kernel method. With this, a lot of near-term and fault-tolerant quantum models can be replaced by a general support vector machine whose kernel computes distances between data-encoding quantum states. Kernel-based training is then guaranteed to find better or equally good quantum models than variational circuit training. Overall, the kernel perspective of quantum machine learning tells us that the way that data is encoded into quantum states is the main ingredient that can potentially set quantum models apart from classical machine learning models.

DOI
10.48550/arxiv.2101.11020

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With near-term quantum devices available and the race for fault-tolerant quantum computers in full swing, researchers became interested in the question of what happens if we replace a supervised machine learning model with a quantum circuit. While such "quantum models" are sometimes called "quantum neural networks", it has been repeatedly noted that their mathematical structure is actually much more closely related to kernel methods: they analyse data in high-dimensional Hilbert spaces to which we only have access through inner products revealed by measurements. This technical manuscript summarises and extends the idea of systematically rephrasing supervised quantum models as a kernel method. With this, a lot of near-term and fault-tolerant quantum models can be replaced by a general support vector machine whose kernel computes distances between data-encoding quantum states. Kernel-based training is then guaranteed to find better or equally good quantum models than variational circuit training. Overall, the kernel perspective of quantum machine learning tells us that the way that data is encoded into quantum states is the main ingredient that can potentially set quantum models apart from classical machine learning models.
With near-term devices available and the race for fault-tolerant computers in full swing, researchers became interested in the question of what happens if we replace a machine learning model with a circuit. While such quantum are sometimes called quantum neural networks, it has been repeatedly noted that their mathematical structure is actually much more closely related to kernel methods: they analyse data in high-dimensional Hilbert spaces to which we only have access through inner products revealed by measurements. This technical manuscript summarises, formalises and extends the link by systematically rephrasing models as a kernel method. It shows that most near-term and fault-tolerant models can be replaced by a general support vector machine whose kernel computes distances between data-encoding states. In particular, kernel-based training is guaranteed to find better or equally good models than variational circuit training. Overall, the kernel perspective of machine learning tells us that the way that data is encoded into states is the main ingredient that can potentially set models apart from classical machine learning models.
The quantum support vector machines (QSVMs) offer a paradigm change that may leverage quantum mechanical processes to outperform traditional support vector machines (SVMs) in high-dimensional and nonlinear classification tasks. These machines are located at the crossroads of supervised machine learning and quantum computing. The purpose of this chapter is to provide a comprehensive technical analysis of QSVMs, with a particular emphasis on the use of variation quantum circuits for implicit feature space transformations and the development of these circuits within the context of quantum kernel estimation. Through the use of quantum state preparation and interference, we provide a comprehensive explanation of the possible fabrication of quantum kernels that are based on inner product evaluations in exponentially huge Hilbert spaces. When it comes to boosting model expressivity beyond classical limits, the importance that entanglement and quantum feature mapping play is specifically stressed. In addition to this, we investigate algorithmic implementations on noisy intermediate-scale quantum (NISQ) hardware, focusing on problems associated with quantum decoherence, gate fidelity, and loop depth optimization. Several fields, including quantum-enhanced drug discovery, anomaly detection in quantum sensor networks, fault classification in quantum error correction, and portfolio optimization, are now the focus of research that is being conducted in order to develop real-world applications. This chapter comes to a close with an analysis of the existing theoretical limits, resource needs, and future perspectives for the use of QSVMs in machine learning applications in order to achieve a quantum advantage. In order to facilitate the development of scalable quantum machine learning models that are founded on strong mathematical and computational notions, this synthesis is geared at academics and practitioners.
Quantum kernel methods (QKMs) have emerged as a prominent framework for supervised quantum machine learning. Unlike variational quantum algorithms, which rely on gradient-based optimisation and may suffer from issues such as barren plateaus, non-variational QKMs employ fixed quantum feature maps, with model selection performed classically via convex optimisation and cross-validation. This separation of quantum feature embedding from classical training ensures stable optimisation while leveraging quantum circuits to encode data in high-dimensional Hilbert spaces. In this review, we provide a thorough analysis of non-variational supervised QKMs, covering their foundations in classical kernel theory, constructions of fidelity and projected quantum kernels, and methods for their estimation in practice. We examine frameworks for assessing quantum advantage, including generalisation bounds and necessary conditions for separation from classical models, and analyse key challenges such as exponential concentration, dequantisation via tensor-network methods, and the spectral properties of kernel integral operators. We further discuss structured problem classes that may enable advantage, and synthesise insights from comparative and hardware studies. Overall, this review aims to clarify the regimes in which QKMs may offer genuine advantages, and to delineate the conceptual, methodological, and technical obstacles that must be overcome for practical quantum-enhanced learning.
A basic idea of quantum computing is surprisingly similar to that of kernel methods in machine learning, namely, to efficiently perform computations in an intractably large Hilbert space. In this Letter we explore some theoretical foundations of this link and show how it opens up a new avenue for the design of quantum machine learning algorithms. We interpret the process of encoding inputs in a quantum state as a nonlinear feature map that maps data to quantum Hilbert space. A quantum computer can now analyze the input data in this feature space. Based on this link, we discuss two approaches for building a quantum model for classification. In the first approach, the quantum device estimates inner products of quantum states to compute a classically intractable kernel. The kernel can be fed into any classical kernel method such as a support vector machine. In the second approach, we use a variational quantum circuit as a linear model that classifies data explicitly in Hilbert space. We illustrate these ideas with a feature map based on squeezing in a continuous-variable system, and visualize the working principle with two-dimensional minibenchmark datasets.
Abstract Supervised machine learning is a popular approach to the solution of many real‐life problems. This approach is characterized by the use of labeled datasets to train algorithms for classifying data or predicting outcomes accurately. The question of the extent to which quantum computation can help improve existing classical supervised learning methods is the subject of intense research in the area of quantum machine learning. The debate centers on whether an advantage can be achieved already with current noisy quantum computer prototypes or it is strictly dependent on the full power of a fault‐tolerant quantum computer. The current proposals can be classified into methods that can be suitably implemented on near‐term quantum computers but are essentially empirical, and methods that use quantum algorithms with a provable advantage over their classical counterparts but only when implemented on the still unavailable fault‐tolerant quantum computer. It turns out that, for the latter class, the benefit offered by quantum computation can be shown rigorously using quantum kernels, whereas the approach based on near‐term quantum computers is very unlikely to bring any advantage if implemented in the form of hybrid algorithms that delegate the hard part (optimization) to the far more powerful classical computers.
Quantum machine learning (QML) provides a transformative approach to data analysis by integrating the principles of quantum computing with classical machine learning methods. With the exponential growth of data and the increasing complexity of computational tasks, quantum algorithms offer tremendous advantages in terms of processing speed, memory efficiency, and the ability to resolve issues intractable for classical systems. In this work, the use of QML techniques for both supervised and unsupervised learning problems is explored. Quantum-enhanced models such Quantum Support Vector Machines (QSVMs) and Quantum Neural Networks (QNNs) show outstanding performance in classification and regression tasks by using quantum kernels and entanglement in supervised learning. Moreover, hybrid quantum-classical solutions offer useful implementations on noisy intermediate-scale quantum (NISQ) devices, hence bridging the gap between present quantum technology and practical uses. By means of comparative analysis, this paper emphasizes the possible benefits and drawbacks of QML, thereby providing understanding of its future importance in sectors including material science, finance, and healthcare. In the end, QML opens the path for a new era of intelligent data processing and solves until unthinkable difficult challenges.