Abstract Quantum architecture search (QAS) involves optimizing both the quantum parametric circuit configuration but also its parameters for a variational quantum algorithm. Thus, the problem is known to be multi-level as the performance of a given architecture is unknown until its parameters are tuned using classical routines. Moreover, the task becomes even more complicated since well-known trainability issues, e.g., barren plateaus (BPs), can occur. In this paper, we aim to achieve two improvements in QAS: (1) to reduce the number of measurements by an online surrogate model of the evaluation process that aggressively discards architectures of poor performance; (2) to avoid training the circuits when BPs are present. To detect the presence of the BPs, we employed a recently developed metric, information content, which only requires measuring the energy values of a small set of parameters to estimate the magnitude of cost function’s gradient. The main idea of this proposal is to leverage a recently developed metric which can be used to detect the onset of vanishing gradients to ensure the overall search avoids such unfavorable regions. We experimentally validate our proposal for the variational quantum eigensolver and showcase that our algorithm is able to find solutions that have been previously proposed in the literature for the Hamiltonians; but also to outperform the state of the art when initializing the method from the set of architectures proposed in the literature. The results suggest that the proposed methodology could be used in environments where it is desired to improve the trainability of known architectures while maintaining good performance.
Abstract Quantum architecture search (QAS) involves optimizing both the quantum parametric circuit configuration but also its parameters for a variational quantum algorithm. Thus, the problem is known to be multi-level as the performance of a given architecture is unknown until its parameters are tuned using classical routines. Moreover, the task becomes even more complicated since well-known trainability issues, e.g., barren plateaus (BPs), can occur. In this paper, we aim to achieve two improvements in QAS: (1) to reduce the number of measurements by an online surrogate model of the evaluation process that aggressively discards architectures of poor performance; (2) to avoid training the circuits when BPs are present. To detect the presence of the BPs, we employed a recently developed metric, information content, which only requires measuring the energy values of a small set of parameters to estimate the magnitude of cost function’s gradient. The main idea of this proposal is to leverage a recently developed metric which can be used to detect the onset of vanishing gradients to ensure the overall search avoids such unfavorable regions. We experimentally validate our proposal for the variational quantum eigensolver and showcase that our algorithm is able to find solutions that have been previously proposed in the literature for the Hamiltonians; but also to outperform the state of the art when initializing the method from the set of architectures proposed in the literature. The results suggest that the proposed methodology could be used in environments where it is desired to improve the trainability of known architectures while maintaining good performance.
The development of quantum algorithms and their practical applications currently relies heavily on the efficient design, compilation, and optimization of quantum circuits. In particular, parametrized quantum circuits (PQCs), which serve as the basis for variational quantum algorithms~(VQAs), demand carefully engineered architectures that balance performance with hardware constraints. Despite recent progress, identifying structural features of PQCs that enhance trainability, noise resilience, and overall algorithmic performance remains an active area of research. Addressing these challenges, quantum architecture search (QAS) aims to automate the design of problem-specific PQCs by systematically exploring circuit architectures to optimize algorithmic performance, often with varying degrees of consideration for hardware constraints. However, comparing QAS methods is challenging due to the absence of a unified benchmark evaluation pipeline, and the high resource demands. In this paper, we present SQuASH, the Surrogate Quantum Architecture Search Helper, a benchmark that leverages surrogate models to enable uniform comparison of QAS methods and considerably accelerate their evaluation. We present the methodology for creating a surrogate benchmark for QAS and demonstrate its capability to accelerate the execution and comparison of QAS methods. Additionally, we provide the code required to integrate SQuASH into custom QAS methods, enabling not only benchmarking but also the use of surrogate models for rapid prototyping. We further release the dataset used to train the surrogate models, facilitating reproducibility and further research.
Variational Quantum Algorithms (VQAs) are central to the utility of Noisy Intermediate-Scale Quantum (NISQ) devices, but their performance is critically dependent on the design of the parameterized quantum circuit (PQC) ansatz. Manual design of these circuits is a complex, non-trivial task requiring significant expertise. To address this, Quantum Architecture Search (QAS) has emerged to automate the discovery of optimal circuit structures. However, many QAS methods incur substantial computational costs by requiring full training of candidate circuits. In this paper, we introduce QAS via iterative elimination, a novel framework that efficiently identifies high-performing circuits. Our method begins with a large, randomly generated population of circuits and iteratively prunes this set based on a composite score that evaluates both immediate performance and trainability. We introduce a dynamic weighting scheme that initially prioritizes trainability to avoid barren plateaus and gradually shifts focus to performance as the search progresses. We validate our approach on Variational Quantum Eigensolver (VQE) tasks for the 6-qubit Transverse Field Ising Model and the 5-qubit Heisenberg model. Experimental results show that our method, particularly with the dynamic weighting, discovers circuits that are competitive with those found by state-of-the-art training-free QAS methods, demonstrating a powerful balance between search efficiency and solution quality.
Quantum error mitigation techniques are at the heart of quantum hardware implementation, and are the key to performance improvement of the variational quantum learning scheme (VQLS). Although VQLS is partially robust to noise, both empirical and theoretical results exhibit that noise would rapidly deteriorate the performance of most variational quantum algorithms in large-scale problems. Furthermore, VQLS suffers from the barren plateau phenomenon---the gradient generated by the classical optimizer vanishes exponentially with respect to the qubit number. Here we devise a resource and runtime efficient scheme, the quantum architecture search scheme (QAS), to maximally improve the robustness and trainability of VQLS. In particular, given a learning task, QAS actively seeks an optimal circuit architecture to balance benefits and side-effects brought by adding more quantum gates. Specifically, while more quantum gates enable a stronger expressive power of the quantum model, they introduce a larger amount of noise and a more serious barren plateau scenario. Consequently, QAS can effectively suppress the influence of quantum noise and barren plateaus. We implement QAS on both the numerical simulator and real quantum hardware, via the IBM cloud, to accomplish data classification and quantum chemistry tasks. Numerical and experimental results show that QAS significantly outperforms conventional variational quantum algorithms with heuristic circuit architectures. Our work provides practical guidance for developing advanced learning-based quantum error mitigation techniques on near-term quantum devices.
Realizing successful quantum algorithms on current generation of quantum hardware depends on developing appropriate parametrized quantum circuits, which are the quantum computing counterpart to classical neural networks. A key consideration in this context is the algorithm’s trainability that can be hindered by the existence of so-called barren plateaus. In this case, the algorithm suffers from exponentially vanishing gradients as the number of qubits increases, resulting in a flat optimization landscape and making an efficient training intractable. Due to its serious impact on the success of such algorithms, this problem has gained substantial attention in recent years of quantum computing research. Theoretical and heuristic approaches have been proposed to investigate, avoid and mitigate this issue. In this work, we explore this phenomenon in detail and study the underlying mathematical concepts in depth, investigating the factors that influence the structure of the optimization landscape. Using corresponding mathematical tools, we diagnose whether a given variational circuit will exhibit barren plateaus when going beyond tens of qubits. Additionally, a review of mitigation strategies will be provided. The theory will then be applied to a use case that involves image classification to evaluate whether the model is affected by this phenomenon and which hyperparameters improve or degrade the overall performance.
Quantum architecture search (QAS) has shown significant promise in automating quantum circuit design for variational quantum algorithms (VQAs). However, a central challenge remains in the high computational cost of evaluating the ground-truth performance of numerous circuit architectures during the search process. This challenge is further complicated by factors such as inefficient gradient computation, the barren plateau phenomenon, and frequent data exchange between classical and quantum systems within VQAs, all of which restrict the scalability of QAS for increasingly complex VQAs. In this study, we propose an enhanced QAS framework that integrates a performance predictor trained through self-supervised learning with Bayesian optimization to overcome these computational barriers. To address the challenges of circuit performance evaluation, we develop a graph-isomorphism-network-based predictor pretrained using expressibility prediction, an intrinsic measure of a circuit's capacity to explore the Hilbert space uniformly. This pretraining process creates a structured and smooth latent space, significantly improving the predictor's accuracy and generalizability with minimal labeled data. Furthermore, Bayesian optimization is integrated into the QAS framework to refine the predictor iteratively, concentrating the search on regions containing high-performance circuits and thus accelerating the search process. Simulation results for VQAs involving the variational quantum eigensolver and quantum approximate optimization algorithm demonstrate that the proposed framework achieves faster convergence to optimal circuits and substantially reduces computational costs compared to existing QAS methods.
Variational quantum algorithms (VQAs) are hybrid approaches between classical and quantum computation, where a classical optimizer proposes parameter configurations for a quantum parametric circuit which is iteratively sampled. The overall performance of the algorithm depends on how the classical optimizer tunes the parameters of the quantum circuit. Several gradient-free and gradient-based approaches have been proposed in the literature to face this task. Estimation of distribution algorithms (EDAs) are a type of evolutionary algorithms where a probabilistic model is updated and sampled at each generation to optimize a cost function. EDAs have shown to be able to achieve good solutions in a reasonable computation time for different optimization problems, and thus, we believe that this algorithm can be a good option to overcome VQAs challenges such as the Barren plateaus phenomenon. In this paper, we study the use of three different EDAs, characterized by different probabilistic model complexities, to tune the parameters of two different VQAs to solver the Max Cut problem and to a VQA to simulate the behaviour of a molecule. Three EDA variants are compared to some state-of-the-art optimizers widely used for this task. Our results show statistical significant improvement of the EDA variants compared to different optimizers, and identify the VQAs characteristics that best fit to each EDA type. We also perform an analysis of the main EDAs hyper-parameters.