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arXiv:1911.12021 · npj Quantum Information

Experimental quantum kernel trick with nuclear spins in a solid

Takeru Kusumoto, Kosuke Mitarai, Keisuke Fujii, Masahiro Kitagawa, Makoto Negoro

Published Jun 8, 2021• 52 citations
arXivHTMLPDF

Abstract

Abstract The kernel trick allows us to employ high-dimensional feature space for a machine learning task without explicitly storing features. Recently, the idea of utilizing quantum systems for computing kernel functions using interference has been demonstrated experimentally. However, the dimension of feature spaces in those experiments have been smaller than the number of data, which makes them lose their computational advantage over explicit method. Here we show the first experimental demonstration of a quantum kernel machine that achieves a scheme where the dimension of feature space greatly exceeds the number of data using 1 H nuclear spins in solid. The use of NMR allows us to obtain the kernel values with single-shot experiment. We employ engineered dynamics correlating 25 spins which is equivalent to using a feature space with a dimension over 10 15 . This work presents a quantum machine learning using one of the largest quantum systems to date.

DOI
10.1038/s41534-021-00423-0

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Abstract The kernel trick allows us to employ high-dimensional feature space for a machine learning task without explicitly storing features. Recently, the idea of utilizing quantum systems for computing kernel functions using interference has been demonstrated experimentally. However, the dimension of feature spaces in those experiments have been smaller than the number of data, which makes them lose their computational advantage over explicit method. Here we show the first experimental demonstration of a quantum kernel machine that achieves a scheme where the dimension of feature space greatly exceeds the number of data using 1 H nuclear spins in solid. The use of NMR allows us to obtain the kernel values with single-shot experiment. We employ engineered dynamics correlating 25 spins which is equivalent to using a feature space with a dimension over 10 15 . This work presents a quantum machine learning using one of the largest quantum systems to date.
Quantum kernel learning (QKL) promises efficient machine learning by encoding feature maps onto exponentially large Hilbert spaces inherent in quantum systems. Using the liquid-state nuclear magnetic resonance (NMR) platform, we implement and benchmark QKL for one-dimensional regression and two-dimensional classification tasks. We then classify entangling and non-entangling operators by extending QKL to handle parametrized or non-parameterized operator inputs. We first compute the kernel numerically for a double-layered star system and then experimentally validate it on a 3-qubit NMR register. QKL provides a practical route to compare operators on native quantum hardware without expensive tomography protocols. Our results confirm the superiority of QKL over other classical methods for processing quantum data, thereby highlighting its ability to capture the inherent structure of quantum space and to extend its domain of operation beyond the training domain by exploiting symmetries in the operator space.
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 Quantum computers promise to enhance machine learning for practical applications. Quantum machine learning for real-world data has to handle extensive amounts of high-dimensional data. However, conventional methods for measuring quantum kernels are impractical for large datasets as they scale with the square of the dataset size. Here, we measure quantum kernels using randomized measurements. The quantum computation time scales linearly with dataset size and quadratic for classical post-processing. While our method scales in general exponentially in qubit number, we gain a substantial speed-up when running on intermediate-sized quantum computers. Further, we efficiently encode high-dimensional data into quantum computers with the number of features scaling linearly with the circuit depth. The encoding is characterized by the quantum Fisher information metric and is related to the radial basis function kernel. Our approach is robust to noise via a cost-free error mitigation scheme. We demonstrate the advantages of our methods for noisy quantum computers by classifying images with the IBM quantum computer. To achieve further speedups we distribute the quantum computational tasks between different quantum computers. Our method enables benchmarking of quantum machine learning algorithms with large datasets on currently available quantum computers.
Kernel methods have demonstrated remarkable success in various machine learning tasks, including classification and regression. However, a significant limitation of traditional kernel methods lies in their computational complexity, particularly when dealing with sparse datasets. The need to construct and invert dense kernel matrices, denoted as KKK, where Kij=k(si,sj)K_{ij} = k(s_i, s_j)Kij​=k(si​,sj​) with kernel function kkk, leads to a quadratic scaling problem, rendering these methods impractical for datasets with a large number of features or data points. This paper introduces a novel kernel learning algorithm, termed Quantum-Inspired Kernel Learning (QIKL), which addresses this challenge by mimicking quantum interference. QIKL leverages the inherent correlations within sparse datasets to efficiently learn kernel functions without explicitly constructing dense kernel matrices. The algorithm employs a probabilistic approach, represented by a set of quantum-inspired amplitudes, (a1,a2,...,aK)(a_1, a_2, ..., a_K)(a1​,a2​,...,aK​), where K≈∑i=1Kai2K \approx \sum_{i=1}^{K} a_i^2K≈∑i=1K​ai2​, to approximate the kernel matrix. The core idea is to utilize the interference patterns generated by these amplitudes to capture the relationships between data points. This approach significantly reduces the computational cost and memory requirements, making kernel methods viable for sparse data scenarios. We demonstrate the effectiveness of QIKL through theoretical analysis and a simplified numerical example, highlighting its potential for scaling to large-scale sparse data problems.
We experimentally demonstrate quantum machine learning using NMR based on a framework of quantum reservoir computing. Reservoir computing is for exploiting natural nonlinear dynamics with large degrees of freedom, which is called a reservoir, for a machine learning purpose. Here we propose a concrete physical implementation of a quantum reservoir using controllable dynamics of a nuclear spin ensemble in a molecular solid. In this implementation, we demonstrate learning of nonlinear functions with binary or continuous variable inputs with low mean squared errors. Our implementation and demonstration paves a road toward exploiting quantum computational supremacy in NMR ensemble systems for information processing with reachable technologies.
Quantum processors may enhance machine learning by mapping high-dimensional data onto quantum systems for processing. Conventional feature maps, for encoding data onto a quantum circuit are currently impractical, as the number of entangling gates scales quadratically with the dimension of the dataset and the number of qubits. In this work, we introduce a quantum feature map designed to handle high-dimensional data with a significantly reduced number of qubits and entangling operations. Our approach preserves essential data characteristics while promoting computational efficiency, as evidenced by extensive experiments on benchmark datasets that demonstrate a marked improvement in both accuracy and resource utilization when using our feature map as a kernel for characterization, as compared to state-of-the-art quantum feature maps. Our noisy simulation results, combined with lower resource requirements, highlight our map's ability to function within the constraints of noisy intermediate-scale quantum devices. Through numerical simulations and small-scale implementation on a superconducting circuit quantum computing platform, we demonstrate that our scheme performs on par or better than a set of classical algorithms for classification. While quantum kernels are typically stymied by exponential concentration, our approach is affected with a slower rate with respect to both the number of qubits and features, which allows practical applications to remain within reach. Our findings herald a promising avenue for the practical implementation of quantum machine learning algorithms on near future quantum computing platforms.