Quantum kernels hold great promise for offering computational advantages over classical learners, with the effectiveness of these kernels closely tied to the design of the quantum feature map. However, the challenge of designing effective quantum feature maps for real-world datasets, particularly in the absence of sufficient prior information, remains a significant obstacle. In this study, we present a data-driven approach that automates the design of problem-specific quantum feature maps. Our approach leverages feature-selection techniques to handle high-dimensional data on near-term quantum machines with limited qubits, and incorporates a deep neural predictor to efficiently evaluate the performance of various candidate quantum kernels. Through extensive numerical simulations on different datasets, we demonstrate the superiority of our proposal over prior methods, especially for the capability of eliminating the kernel concentration issue and identifying the feature map with prediction advantages. Our work not only unlocks the potential of quantum kernels for enhancing real-world tasks but also highlights the substantial role of deep learning in advancing quantum machine learning.
Quantum kernels hold great promise for offering computational advantages over classical learners, with the effectiveness of these kernels closely tied to the design of the quantum feature map. However, the challenge of designing effective quantum feature maps for real-world datasets, particularly in the absence of sufficient prior information, remains a significant obstacle. In this study, we present a data-driven approach that automates the design of problem-specific quantum feature maps. Our approach leverages feature-selection techniques to handle high-dimensional data on near-term quantum machines with limited qubits, and incorporates a deep neural predictor to efficiently evaluate the performance of various candidate quantum kernels. Through extensive numerical simulations on different datasets, we demonstrate the superiority of our proposal over prior methods, especially for the capability of eliminating the kernel concentration issue and identifying the feature map with prediction advantages. Our work not only unlocks the potential of quantum kernels for enhancing real-world tasks but also highlights the substantial role of deep learning in advancing quantum machine learning.
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.
Quantum kernels hold significant promise for achieving computational advantages in quantum machine learning (QML), yet their effectiveness critically depends on the design of expressive and hardware-compatible feature maps, a challenge that is particularly pronounced in Noisy Intermediate-Scale Quantum (NISQ) devices with limited qubits, gate errors, and restricted connectivity. In this work, we propose a hardware-aware methodology for automated quantum kernel design that integrates quantum device characteristics with learning-based evaluation. Specifically, candidate quantum circuits explored within the hardware-aware circuit space are represented as directed acyclic graphs (DAGs) encoding hardware-specific information such as gate operations, qubit interactions, and noise properties, while a dual graph neural network (GNN) predictor is employed to estimate key surrogate metrics, including probability of successful trials (PST) and kernel-target alignment (KTA), enabling efficient and accurate assessment of circuit fidelity and kernel performance to facilitate the identification of task-specific quantum kernels. Furthermore, feature selection is incorporated to reduce input dimensionality and ensure compatibility with near-term devices. Extensive experiments on multiple benchmark datasets, including Credit Card (CC), MNIST-5, and FMNIST-4, demonstrate that our method consistently outperforms existing baselines in classification accuracy, effectively balancing hardware constraints and model expressivity under realistic noise conditions. These results highlight the potential of combining hardware-aware design with deep learning techniques to advance practical quantum kernel methods under hardware-calibrated noisy simulation settings.
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.
In recent years, machine learning and deep learning have driven advances in domains such as image classification, speech recognition, and anomaly detection by leveraging multi-layer neural networks to model complex data. Simultaneously, quantum computing (QC) promises to address classically intractable problems via quantum parallelism, motivating research in quantum machine learning (QML). Among QML techniques, quantum autoencoders show promise for compressing high-dimensional quantum and classical data. However, designing effective quantum circuit architectures for quantum autoencoders remains challenging due to the complexity of selecting gates, arranging circuit layers, and tuning parameters.
This paper proposes a neural architecture search (NAS) framework that automates the design of quantum autoencoders using a genetic algorithm (GA). By systematically evolving variational quantum circuit (VQC) configurations, our method seeks to identify high-performing hybrid quantum-classical autoencoders for data reconstruction without becoming trapped in local minima. We demonstrate effectiveness on image datasets, highlighting the potential of quantum autoencoders for efficient feature extraction within a noise-prone, near-term quantum era. Our approach lays a foundation for broader application of genetic algorithms to quantum architecture search, aiming for a robust, automated method that can adapt to varied data and hardware constraints.
The discovery of quantum algorithms offering provable advantages over the best known classical alternatives, together with the parallel ongoing revolution brought about by classical artificial intelligence, motivates a search for applications of quantum information processing methods to machine learning. Among several proposals in this domain, quantum kernel methods have emerged as particularly promising candidates. However, while some rigorous speedups on certain highly specific problems have been formally proven, only empirical proof-of-principle results have been reported so far for real-world datasets. Moreover, no systematic procedure is known, in general, to fine tune and optimize the performances of kernel-based quantum classification algorithms. At the same time, certain limitations such as kernel concentration effects-hindering the trainability of quantum classifiers-have also been recently pointed out. In this work, we propose several general-purpose optimization methods and best practices designed to enhance the practical usefulness of fidelity-based quantum classification algorithms. Specifically, we first describe a data pre-processing strategy that, by preserving the relevant relationships between data points when processed through quantum feature maps, substantially alleviates the effect of kernel concentration on structured datasets. We also introduce a classical post-processing method that, based on standard fidelity measures estimated on a quantum processor, yields non-linear decision boundaries in the feature Hilbert space, thus achieving the quantum counterpart of the radial basis functions technique that is widely employed in classical kernel methods. Finally, we apply the so-called quantum metric learning protocol to engineer and adjust trainable quantum embeddings, demonstrating substantial performance improvements on several paradigmatic real-world classification tasks.