Kernel methods play an important role in machine learning applications due to their conceptual simplicity and superior performance on numerous machine learning tasks. Expressivity of a machine learning model, referring to the ability of the model to approximate complex functions, has a significant influence on its performance in these tasks. One approach to enhancing the expressivity of kernel machines is to combine multiple individual kernels to arrive at a more expressive combined kernel. This approach is referred to as multiple kernel learning (MKL). In this work, we propose an MKL method we refer to as quantum MKL, which combines multiple quantum kernels. Our method leverages the power of deterministic quantum computing with one qubit (DQC1) to estimate the combined kernel for a set of classically intractable individual quantum kernels. The combined kernel estimation is achieved without explicitly computing each individual kernel, while still allowing for the tuning of individual kernels in order to achieve better expressivity. Our simulations on two binary classification problems---one performed on a synthetic dataset and the other on a German credit dataset---demonstrate the superiority of the quantum MKL method over single quantum kernel machines.
Kernel methods play an important role in machine learning applications due to their conceptual simplicity and superior performance on numerous machine learning tasks. Expressivity of a machine learning model, referring to the ability of the model to approximate complex functions, has a significant influence on its performance in these tasks. One approach to enhancing the expressivity of kernel machines is to combine multiple individual kernels to arrive at a more expressive combined kernel. This approach is referred to as multiple kernel learning (MKL). In this work, we propose an MKL method we refer to as quantum MKL, which combines multiple quantum kernels. Our method leverages the power of deterministic quantum computing with one qubit (DQC1) to estimate the combined kernel for a set of classically intractable individual quantum kernels. The combined kernel estimation is achieved without explicitly computing each individual kernel, while still allowing for the tuning of individual kernels in order to achieve better expressivity. Our simulations on two binary classification problems---one performed on a synthetic dataset and the other on a German credit dataset---demonstrate the superiority of the quantum MKL method over single quantum kernel machines.
As quantum computers become increasingly practical, so does the prospect of using quantum computation to improve upon traditional algorithms. Kernel methods in machine learning is one area where such improvements could be realized in the near future. Paired with kernel methods like support-vector machines, small and noisy quantum computers can evaluate classically-hard quantum kernels that capture unique notions of similarity in data. Taking inspiration from techniques in classical machine learning, this work investigates simulated quantum kernels in the context of multiple kernel learning (MKL). We consider pairwise combinations of several classical-classical, quantum-quantum, and quantum-classical kernels in an empirical investigation of their classification performance with support-vector machines. We also introduce a novel approach, which we call QCC-net (quantum-classical-convex neural network), for optimizing the weights of base kernels together with any kernel parameters. We show this approach to be effective for enhancing various performance metrics in an MKL setting. Looking at data with an increasing number of features (up to 13 dimensions), we find parameter training to be important for successfully weighting kernels in some combinations. Using the optimal kernel weights as indicators of relative utility, we find growing contributions from trainable quantum kernels in quantum-classical kernel combinations as the number of features increases. We observe the opposite trend for combinations containing simpler, non-parametric quantum kernels.
This paper explores the potential benefits of quantum coherence and quantum discord in the non-universal quantum computing model called deterministic quantum computing with one qubit (DQC1) in supervised machine learning. We show that the DQC1 model can be leveraged to develop an efficient method for estimating complex kernel functions. We demonstrate a simple relationship between coherence consumption and the kernel function, a crucial element in machine learning. The paper presents an implementation of a binary classification problem on IBM hardware using the DQC1 model and analyzes the impact of quantum coherence and hardware noise. The advantage of our proposal lies in its utilization of quantum discord, which is more resilient to noise than entanglement.
Quantum machine learning is considered one of the current research fields with great potential. In recent years, Havl\'{\i}\ifmmode \check{c}\else \v{c}\fi{}ek et al. [Nature (London) 567, 209 (2019)] have proposed a quantum machine learning algorithm with quantum-enhanced feature spaces, which effectively addressed a binary classification problem and offered a potential pathway to achieving quantum advantage. However, a straightforward binary classification algorithm falls short in solving multiclass classification problems. In this paper, we propose a quantum algorithm that rigorously demonstrates that quantum kernel methods enhance the efficiency of multiclass classification in real-world applications, providing quantum-enhanced performance. To demonstrate this, we design six distinct quantum kernels within the quantum algorithm to map input data into quantum state spaces and estimate the corresponding quantum kernel matrices. The results from quantum simulations reveal that the quantum algorithm outperforms its classical counterpart in handling six real-world multiclass classification problems. Furthermore, we leverage a variety of performance metrics to comprehensively evaluate the classification and generalization performance of the quantum algorithm. The results demonstrate that the quantum algorithm achieves superior classification and better generalization performance relative to classical counterparts.
Quantum-enhanced machine learning is a rapidly evolving field that aims to leverage the unique properties of quantum mechanics to enhance classical machine learning. However, the practical applicability of these methods remains an open question, particularly beyond the context of specifically crafted toy problems, and given the current limitations of quantum hardware. This study focuses on quantum kernel methods in the context of classification tasks. In particular, it examines the performance of quantum kernel estimation and quantum kernel training (QKT) in connection with two quantum feature mappings, namely, ZZFeatureMap and CovariantFeatureMap. Remarkably, these feature maps have been proposed in the literature under the conjecture of possible near-term quantum advantage and have shown promising performance in ad hoc datasets. This study aims to evaluate their versatility and generalization capabilities in a more general benchmark, encompassing both artificial and established reference datasets. Classical machine learning methods, specifically support vector machines and logistic regression, are also incorporated as baseline comparisons. Experimental results indicate that quantum methods exhibit varying performance across different datasets. Despite outperforming classical methods in ad hoc datasets, mixed results are obtained for the general case among standard classical benchmarks. The experimental data call into question a general added value of applying QKT optimization, for which the additional computational cost does not necessarily translate into improved classification performance. Instead, it is suggested that a careful choice of the quantum feature map in connection with proper hyperparameterization may prove more effective.
Financial services is a prospect industry where unlocked near-term quantum utility could yield profitable potential, and, in particular, quantum machine learning algorithms could potentially benefit businesses by improving the quality of predictive models. Quantum kernel methods have demonstrated success in financial, binary classification tasks, like fraud detection, and avoid issues found in variational quantum machine learning approaches. However, choosing a suitable quantum kernel for a classical dataset remains a challenge. We propose a hybrid, quantum multiple kernel learning (QMKL) methodology that can improve classification quality over a single kernel approach. We test the robustness of QMKL on several financially relevant datasets using both fidelity and projected quantum kernel approaches. We further demonstrate QMKL on quantum hardware using an error mitigation pipeline and show the benefits of QMKL in the large qubit regime.
Kernel methods are used extensively in classical machine learning, especially in the field of pattern analysis. In this paper, we propose a kernel-based quantum machine learning algorithm that can be implemented on a near-term, intermediate scale quantum device. Our proposal is based on estimating classically intractable kernel functions, using a restricted quantum model known as deterministic quantum computing with one qubit. Our method provides a framework for studying the role of quantum correlations other than quantum entanglement for machine learning applications.