Variational quantum algorithms (VQAs) constitute a prominent paradigm for exploring the capabilities of near-term quantum computers. As the effectiveness of VQAs depends heavily on the design of variational quantum circuits, Quantum Architecture Search (QAS) has emerged as a critical research area to automate the discovery of high-performing circuit structures. This paper reviews key advancements in current research on QAS, including its core concepts, representative methodologies, applications, and emerging trends. The content is structured to ensure broad accessibility for a diverse audience of researchers while preserving the core principles of complex methodologies. In addition, we discuss remaining challenges and suggest potential research directions to offer perspectives on future exploration in this rapidly evolving field.
Journal reference
Frontiers of Physics (Beijing), 22(3):033301 (2027)
Variational quantum algorithms (VQAs) constitute a prominent paradigm for exploring the capabilities of near-term quantum computers. As the effectiveness of VQAs depends heavily on the design of variational quantum circuits, Quantum Architecture Search (QAS) has emerged as a critical research area to automate the discovery of high-performing circuit structures. This paper reviews key advancements in current research on QAS, including its core concepts, representative methodologies, applications, and emerging trends. The content is structured to ensure broad accessibility for a diverse audience of researchers while preserving the core principles of complex methodologies. In addition, we discuss remaining challenges and suggest potential research directions to offer perspectives on future exploration in this rapidly evolving field.
Designing efficient variational quantum algorithms (VQAs) is crucial for transforming the theoretical advantages of quantum algorithms into practical applications. In this context, quantum architecture search (QAS) has been introduced to automate the search and design of VQAs. However, current mainstream QAS algorithms typically perform both global and local searches simultaneously, which can result in high search space complexity and optimization challenges. In this paper, we propose a hierarchical quantum architecture search framework based on a two-stage search structure. In the first stage, global exploration of the overall quantum circuit structure is performed, while in the second stage, local optimization of quantum gate selection is carried out. We provide a numerical analysis of the theoretical advantages of the proposed framework in reducing the search space. To evaluate practical performance, we conduct experiments on quantum chemistry tasks with different algorithm combinations integrated into the framework. The results demonstrate the effectiveness of the hierarchical search structure in automating quantum circuit design.
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 investigate whether quantum architectures discovered on small-scale systems can be directly extended to large-scale quantum circuits. Our results demonstrate that the performance advantage of an optimal quantum architecture, identified on a small-scale system via a layerwise construction method, can be largely preserved and effectively transferred to large-scale systems. This work establishes a viable and efficient paradigm for designing effective large-scale quantum circuits, offering a practical shortcut that bypasses the primary bottlenecks of conventional QAS.
A significant hurdle in the noisy intermediate-scale quantum (NISQ) era is identifying functional quantum circuits. These circuits must also adhere to the constraints imposed by current quantum hardware limitations. Variational quantum algorithms (VQAs), a class of quantum-classical optimization algorithms, were developed to address these challenges in the currently available quantum devices. However, the overall performance of VQAs depends on the initialization strategy of the variational circuit, the structure of the circuit (also known as ansatz), and the configuration of the cost function. Focusing on the structure of the circuit, in this thesis, we improve the performance of VQAs by automating the search for an optimal structure for the variational circuits using reinforcement learning (RL). Within the thesis, the optimality of a circuit is determined by evaluating its depth, the overall count of gates and parameters, and its accuracy in solving the given problem. The task of automating the search for optimal quantum circuits is known as quantum architecture search (QAS). The majority of research in QAS is primarily focused on a noiseless scenario. Yet, the impact of noise on the QAS remains inadequately explored. In this thesis, we tackle the issue by introducing a tensor-based quantum circuit encoding, restrictions on environment dynamics to explore the search space of possible circuits efficiently, an episode halting scheme to steer the agent to find shorter circuits, a double deep Q-network (DDQN) with an ε-greedy policy for better stability. The numerical experiments on noiseless and noisy quantum hardware show that in dealing with various VQAs, our RL-based QAS outperforms existing QAS. Meanwhile, the methods we propose in the thesis can be readily adapted to address a wide range of other VQAs.
Quantum computing has made significant progress in recent years, attracting immense interest not only in research laboratories but also in various industries. However, the application of quantum computing to solve real-world problems is still hampered by a number of challenges, including hardware limitations and a relatively under-explored landscape of quantum algorithms, especially when compared to the extensive development of classical computing. The design of quantum circuits, in particular parameterized quantum circuits (PQCs), which contain learnable parameters optimized by classical methods, is a non-trivial and time-consuming task requiring expert knowledge. As a result, research on the automated generation of PQCs, known as quantum architecture search (QAS), has gained considerable interest. QAS focuses on the use of machine learning and optimization-driven techniques to generate PQCs tailored to specific problems and characteristics of quantum hardware. In this paper, we provide an overview of QAS methods by examining relevant research studies in the field. We discuss the main challenges in designing and performing an automated search for an optimal PQC, and survey ways to address them to ease future research.
Abstract Variational quantum algorithms (VQAs) have been successfully applied to quantum approximate optimization algorithms, variational quantum compiling and quantum machine learning models. The performances of VQAs largely depend on the architecture of parameterized quantum circuits (PQCs). Quantum architecture search (QAS) aims to automate the design of PQCs in different VQAs with classical optimization algorithms. However, current QAS algorithms do not use prior experiences and search the quantum architecture from scratch for each new task, which is inefficient and time consuming. In this paper, a meta quantum architecture search (MetaQAS) algorithm is proposed, which learns good initialization heuristics of the architecture (i.e., meta‐architecture), along with the meta‐parameters of quantum gates from a number of training tasks such that they can adapt to new tasks with fewer gradient updates, which leads to fast learning on new tasks. The proposed MetaQAS can be used with arbitrary gradient‐based QAS algorithms. Simulation results on variational quantum compiling (VQC) and quantum approximate optimization algorithm (QAOA) show that the architectures optimized by MetaQAS converge faster than a state‐of‐the‐art gradient‐based QAS algorithm, namely DQAS. MetaQAS also achieves a better solution than DQAS after fine‐tuning of gate parameters.
Variational quantum algorithms (VQAs) have established themselves as a central computational paradigm in the Noisy Intermediate-Scale Quantum (NISQ) era. By coupling parameterized quantum circuits (PQCs) with classical optimization, they operate effectively under strict hardware limitations. However, as quantum architectures transition toward early fault-tolerant (EFT) and ultimate fault-tolerant (FT) regimes, the foundational principles and long-term viability of VQAs require systematic reassessment. This review offers an insightful analysis of VQAs and their progression toward the fault-tolerant regime. We deconstruct the core algorithmic framework by examining ansatz design and classical optimization strategies, including cost function formulation, gradient computation, and optimizer selection. Concurrently, we evaluate critical training bottlenecks, notably barren plateaus (BPs), alongside established mitigation strategies. The discussion then explores the EFT phase, detailing how the integration of quantum error mitigation and partial error correction can sustain algorithmic performance. Addressing the FT phase, we analyze the inherent challenges confronting current hybrid VQA models. Furthermore, we synthesize recent VQA applications across diverse domains, including many-body physics, quantum chemistry, machine learning, and mathematical optimization. Ultimately, this review outlines a theoretical roadmap for adapting quantum algorithms to future hardware generations, elucidating how variational principles can be systematically refined to maintain their relevance and efficiency within an error-corrected computational environment.