In recent years, quantum kernel methods have shown promising applications on near-term quantum devices. However, selecting an appropriate encoding circuit for a given dataset requires costly evaluation of multiple candidates, formulated as a meta-learning problem. In this paper, we propose an automated recommender that utilizes the intrinsic characteristics of datasets to predict the optimal circuit without any quantum evaluation. Nine candidates are assessed alongside 24 classical complexity metrics serving as features, evaluated through two training approaches with four configurations, along with 14 machine learning models. Both approaches achieve Top-3 accuracy of up to 85.7% in identifying the best-performing encoding circuit, and demonstrate that classical data complexity metrics provide sufficient predictive signal for circuit selection.
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22 pages, 4 figures. This paper is submitted to Quantum Machine Intelligence
In recent years, quantum kernel methods have shown promising applications on near-term quantum devices. However, selecting an appropriate encoding circuit for a given dataset requires costly evaluation of multiple candidates, formulated as a meta-learning problem. In this paper, we propose an automated recommender that utilizes the intrinsic characteristics of datasets to predict the optimal circuit without any quantum evaluation. Nine candidates are assessed alongside 24 classical complexity metrics serving as features, evaluated through two training approaches with four configurations, along with 14 machine learning models. Both approaches achieve Top-3 accuracy of up to 85.7% in identifying the best-performing encoding circuit, and demonstrate that classical data complexity metrics provide sufficient predictive signal for circuit selection.
Selecting an effective encoding quantum circuit is a key challenge in quantum kernel methods because different feature maps can lead to different performance. Conventional methods require constructing and evaluating every circuit for each new dataset, making it computationally expensive. We present Qmes, an open-source Python package that automatically recommends circuits through meta-learning. Qmes characterizes a dataset using classical complexity measures and queries a pre-trained model to recommend circuits without quantum evaluation at inference time. The package provides modular components for meta-feature extraction, quantum-kernel evaluation, recommender training, model selection, and user-defined circuit extension. We validate Qmes on 105 classification and 86 regression benchmark datasets. Qmes reduces the mean recommendation regret by 2.2x and 4.2x for classification and regression, respectively, compared to a non-adaptive baseline, with statistical significance confirmed via a paired Wilcoxon signed-rank test (p<10−4). Qmes thus enables efficient and practical encoding-circuit selection for quantum kernel methods.
The performance of quantum neural network models depends strongly on architectural decisions, including circuit depth, placement of parametrized operations, and data-encoding strategies. Selecting an effective architecture is challenging and closely related to the classical difficulty of choosing suitable neural-network topologies, which is computationally hard. This work investigates automated quantum-circuit construction for regression tasks and introduces a genetic-algorithm framework that discovers Reduced Regressor QNN architectures. The approach explores depth, parametrized gate configurations, and flexible data re-uploading patterns, formulating the construction of quantum regressors as an optimization process. The discovered circuits are evaluated against seventeen classical regression models on twenty-two nonlinear benchmark functions and four analytical functions. Although classical methods often achieve comparable results, they typically require far more parameters, whereas the evolved quantum models remain compact while providing competitive performance. We further analyze dataset complexity using twelve structural descriptors and show, across five increasingly challenging meta-learning scenarios, that these measures can reliably predict which quantum architecture will perform best. The results demonstrate perfect or near-perfect predictive accuracy in several scenarios, indicating that complexity metrics offer powerful and compact representations of dataset structure and can effectively guide automated model selection. Overall, this study provides a principled basis for meta-learning-driven quantum architecture design and advances the understanding of how quantum models behave in regression settings--a topic that has received limited exploration in prior work. These findings pave the way for more systematic and theoretically grounded approaches to quantum regression.
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 computing combined with machine learning, is a promising emerging field for tackling problems that are extremely expensive or fundamentally infeasible for classical computers. Nonetheless, design of the optimal quantum circuit for machine learning is a major challenge, which can be attributed to the exponential search space of the quantum gate arrangement and unmatched structured design methods. To resolve this, our work introduces a novel automated framework for quantum architecture search (AQAS) that adopts both meta-learning and evolutionary algorithms to automatically learn, transfer, and optimize quantum circuit architectures to suit different machine learning tasks. Our strategy relies on meta-learning to introduce a learning scheme, i.e. it allows the AQAS system to generalize across distributions by learning from a shared structural and functional prior from the distribution of machine learning problems. This enables the approach to quickly home in effective quantum circuit implementations for new tasks with low data or retraining. At the same time, we use evolutionary algorithms– mimicking natural selection– to breed populations of quantum circuit architectures. These circuits are represented in genotypes, are varied under mutation and crossover, and are selected according to a fitness function that blends quantum resource utilization (e.g., depth, qubits) with task-specific performance (e.g., classification accuracy or loss). The architecture is realized in a mixed quantum-classical environment, with quantum circuits simulated on quantum simulators and/or Noisy-Intermediate-Scale-Quantum (NISQ) devices. We verify the effectiveness of our approach on a number of benchmarked datasets and tasks which range from quantum-aided image recognition, time series prediction to medical diagnostics. We demonstrate that AQAS can discover compact, high-performing quantum models, which generalize better and are computationally more efficient than the custom-built quantum models.
The way in which classical data are encoded into quantum states plays a significant role in both classification performance and quantum circuit complexity in Quantum Machine Learning. In this study, the effects of different quantum feature encoding strategies on Quantum Support Vector Machine performance were investigated using five binary classification datasets. In particular, the statistical relationships between features were incorporated into quantum circuits through RY(θ) and controlled-RY(θ) gates, and this approach was compared with conventional quantum feature maps. The results demonstrate that incorporating statistical relationships into the encoding process can influence classification performance. However, more complex and densely entangled circuits do not necessarily yield higher performance. In addition, a composite evaluation metric was employed to jointly assess predictive performance, generalization, and circuit cost. The findings across the five datasets indicate that the choice of quantum feature encoding strategy should account for the underlying structure of the data and that predictive performance should be evaluated together with quantum circuit complexity.
Quantum computing can empower machine learning models by enabling kernel machines to leverage quantum kernels for representing similarity measures between data. Quantum kernels are able to capture relationships in the data that are not efficiently computable on classical devices. However, there is no straightforward method to engineer the optimal quantum kernel for each specific use case. We present an approach to this problem, which employs optimization techniques, similar to those used in neural architecture search and AutoML, to automatically find an optimal kernel in a heuristic manner. To this purpose we define an algorithm for constructing a quantum circuit implementing the similarity measure as a combinatorial object, which is evaluated based on a cost function and then iteratively modified using a meta-heuristic optimization technique. The cost function can encode many criteria ensuring favorable statistical properties of the candidate solution, such as the rank of the Dynamical Lie Algebra. Importantly, our approach is independent of the optimization technique employed. The results obtained by testing our approach on a high-energy physics problem demonstrate that, in the best-case scenario, we can either match or improve testing accuracy with respect to the manual design approach, showing the potential of our technique to deliver superior results with reduced effort.