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arXiv:2508.07104 · Physica Scripta

QuProFS: an evolutionary training-free approach to efficient quantum feature map search

Yaswitha Gujju, Romain Harang, Chao Li, Tetsuo Shibuya, Qibin Zhao

Published Jul 20, 2026• 1 citation
arXivHTMLPDF

Abstract

Abstract The quest for effective quantum feature maps for data encoding presents significant challenges, particularly due to the flat training landscapes and lengthy training processes associated with parameterized quantum circuits. To address the gap between training-free search evaluation and downstream task performance, we propose Quantum Proxy-assisted Feature Search (QuProFS) framework that employs circuit-based heuristics focused on trainability, hardware robustness, generalization ability, expressivity, complexity, and kernel-target alignment. By ranking circuit architectures with various proxies, we reduce evaluation costs and incorporate hardware-aware circuits to enhance robustness against noise. We evaluate QuProFS on binary classification tasks using a quantum support vector machine on nine benchmark datasets, including Breast Cancer, MNIST-2, Fashion-MNIST-2, Coset-10, Two Curves, Hidden Manifold, Linearly Separable, Bars-and-Stripes, and Hyperplane, using both quantum simulators and IBM Quantum hardware. Compared with existing quantum architecture search methods, QuProFS achieves the highest accuracy on the majority of benchmark datasets while reducing architecture search time by up to 2 × . Furthermore, QuProFS achieves classification performance comparable to strong classical machine learning baselines on several benchmark datasets, demonstrating an efficient and scalable strategy for quantum feature map optimization.

DOI
10.1088/1402-4896/ae8cca

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Quantum machine learning methods often rely on fixed, hand-crafted quantum encodings that may not capture optimal features for downstream tasks. In this work, we study the power of quantum autoencoders in learning data-driven quantum representations. We first theoretically demonstrate that the quantum autoencoder method is efficient in terms of sample complexity throughout the entire training process. Then we numerically train the quantum autoencoder on 3 million peptide sequences, and evaluate their effectiveness across multiple peptide classification problems including antihypertensive peptide prediction, blood-brain barrier-penetration, and cytotoxic activity detection. The learned representations were compared against Hamiltonian-evolved baselines using a quantum kernel with support vector machines. Results show that quantum autoencoder learned representations achieve accuracy improvements ranging from 0.4\% to 8.1\% over Hamiltonian baselines across seven datasets, demonstrating effective generalization to diverse downstream datasets with pre-training enabling effective transfer learning without task-specific fine-tuning. This work establishes that quantum autoencoder architectures can effectively learn from large-scale datasets (3 million samples) with compact parameterizations ($\sim$900 parameters), demonstrating their viability for practical quantum applications.
Variational quantum algorithm (VQA) derives advantages from its error resilience and high flexibility in quantum resource requirements, rendering it broadly applicable in the noisy intermediate-scale quantum era. As the performance of VQA highly relies on the structure of the parameterized quantum circuit, it is worthwhile to propose quantum architecture search (QAS) algorithms to automatically search for high-performance circuits. Nevertheless, existing QAS methods are time-consuming, requiring circuit training to assess circuit performance. This study pioneers training-free QAS by utilizing two training-free proxies to rank quantum circuits, in place of the expensive circuit training employed in conventional QAS. Taking into account the precision and computational overhead of the path-based and expressibility-based proxies, we devise a two-stage progressive training-free QAS (TF-QAS). Initially, directed acyclic graphs (DAGs) are employed for circuit representation, and a zero-cost proxy based on the number of paths in the DAG is designed to filter out a substantial portion of unpromising circuits. Subsequently, an expressibility-based proxy, finely reflecting circuit performance, is employed to identify high-performance circuits from the remaining candidates. These proxies evaluate circuit performance without circuit training, resulting in a remarkable reduction in computational cost compared to current training-based QAS methods. Simulations on three VQE tasks demonstrate that TF-QAS achieves a substantial enhancement of sampling efficiency ranging from 5 to 57 times compared to state-of-the-art QAS, while also being 6 to 17 times faster.