In the era of Noisy Intermediate-Scale Quantum (NISQ) computing, traditional quantum algorithms face the challenges of limited number of qubits, noise and decoherence. In order to address these issues, we propose a Quantum Architecture Search (QAS) method driven by Bayesian Optimization (BO), which is applied to variational quantum algorithms. In this work, QAS is regarded as a fixed-scale sampling problem. We innovatively propose a quantum gate pool and use a parameterized probabilistic model to dynamically determine the optimal quantum gate for each position in the quantum circuit, thus optimizing the circuit structure. Through using a gradient-free BO method based on radial basis function, we adaptively design end-to-end quantum circuits, significantly reducing circuit depths and improving computational accuracy. We conducted experiments on ground state energy estimation in quantum chemistry and combinatorial optimization problem. The experimental results show that our method is significantly superior to traditional methods and other meta-heuristic search methods in accuracy and efficiency. Our method not only reduces the depth of quantum circuits by up to 85% under a certain accuracy, but also improves the accuracy rate to nearly 100% in combinatorial optimization problem. This provides a powerful and efficient tool for designing optimal quantum circuits and promotes the practical application of quantum algorithms in the NISQ era.
In the era of Noisy Intermediate-Scale Quantum (NISQ) computing, traditional quantum algorithms face the challenges of limited number of qubits, noise and decoherence. In order to address these issues, we propose a Quantum Architecture Search (QAS) method driven by Bayesian Optimization (BO), which is applied to variational quantum algorithms. In this work, QAS is regarded as a fixed-scale sampling problem. We innovatively propose a quantum gate pool and use a parameterized probabilistic model to dynamically determine the optimal quantum gate for each position in the quantum circuit, thus optimizing the circuit structure. Through using a gradient-free BO method based on radial basis function, we adaptively design end-to-end quantum circuits, significantly reducing circuit depths and improving computational accuracy. We conducted experiments on ground state energy estimation in quantum chemistry and combinatorial optimization problem. The experimental results show that our method is significantly superior to traditional methods and other meta-heuristic search methods in accuracy and efficiency. Our method not only reduces the depth of quantum circuits by up to 85% under a certain accuracy, but also improves the accuracy rate to nearly 100% in combinatorial optimization problem. This provides a powerful and efficient tool for designing optimal quantum circuits and promotes the practical application of quantum algorithms in the NISQ era.
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.
Variational quantum algorithms (VQAs) have emerged as a promising quantum alternative for solving optimization and machine learning problems using parameterized quantum circuits (PQCs). The design of these circuits influences the ability of the algorithm to efficiently explore the solution space and converge to more optimal solutions. Quantum architecture search (QAS) is therefore a highly relevant topic, in which the selection of an appropriate circuit topology, gate set, and parameterization scheme is determinant to achieve good performance. In addition, it is not only problem-dependent, but the quantum hardware used also has a significant impact on the results. Therefore, we present BPQCO, a Bayesian optimization-based strategy to search for optimal PQCs adapted to the problem to be solved and to the characteristics and limitations of the chosen quantum hardware. To this end, we experimentally demonstrate the influence of the circuit design on the performance obtained for two classification problems (a synthetic dataset and the well-known Iris dataset), focusing on the design of the circuit ansatz. In addition, we study the degradation of the obtained circuits in the presence of noise when simulating real quantum computers. To mitigate the effect of noise, two alternative optimization strategies based on the characteristics of the quantum system are proposed. The results obtained confirm the relevance of the presented approach and allow its adoption in further work based on the use of PQCs.
Abstract Quantum architecture search (QAS) is the process of automating architecture engineering of quantum circuits. It has been desired to construct a powerful and general QAS platform which can significantly accelerate current efforts to identify quantum advantages of error-prone and depth-limited quantum circuits in the NISQ era. Hereby, we propose a general framework of differentiable quantum architecture search (DQAS), which enables automated designs of quantum circuits in an end-to-end differentiable fashion. We present several examples of circuit design problems to demonstrate the power of DQAS. For instance, unitary operations are decomposed into quantum gates, noisy circuits are re-designed to improve accuracy, and circuit layouts for quantum approximation optimization algorithm are automatically discovered and upgraded for combinatorial optimization problems. These results not only manifest the vast potential of DQAS being an essential tool for the NISQ application developments, but also present an interesting research topic from the theoretical perspective as it draws inspirations from the newly emerging interdisciplinary paradigms of differentiable programming, probabilistic programming, and quantum programming.
Abstract Variational Quantum Algorithms (VQAs) have made great success in the Noisy Intermediate-Scale Quantum (NISQ) era due to their relative resilience to noise and high flexibility relative to quantum resources. Quantum Architecture Search (QAS) aims to enhance the performance of VQAs by refining the structure of the adopted Parameterized Quantum Circuit (PQC). QAS is garnering increased attention owing to its automation, reduced reliance on expert experience, and its ability to achieve better performance while requiring fewer quantum gates than manually designed circuits. However, existing QAS algorithms optimize the structure from scratch for each VQA without using any prior experience, rendering the process inefficient and time-consuming. Moreover, determining the number of quantum gates, a crucial hyper-parameter in these algorithms is a challenging and time-consuming task. To mitigate these challenges, we accelerate the QAS algorithm via a meta-trained generator. The proposed algorithm directly generates high-performance circuits for a new VQA by utilizing a meta-trained Variational AutoEncoder (VAE). The number of quantum gates required in the designed circuit is automatically determined based on meta-knowledge learned from a variety of training tasks. Furthermore, we have developed a meta-predictor to filter out circuits with suboptimal performance, thereby accelerating the algorithm. Simulation results on variational quantum compiling and Quantum Approximation Optimization Algorithm (QAOA) demonstrate the superior performance of our method over a state-of-the-art algorithm, namely Differentiable Quantum Architecture Search (DQAS).
Unsupervised representation learning presents new opportunities for advancing Quantum Architecture Search (QAS) on Noisy Intermediate-Scale Quantum (NISQ) devices. QAS is designed to optimize quantum circuits for Variational Quantum Algorithms (VQAs). Most QAS algorithms tightly couple the search space and search algorithm, typically requiring the evaluation of numerous quantum circuits, resulting in high computational costs and limiting scalability to larger quantum circuits. Predictor-based QAS algorithms mitigate this issue by estimating circuit performance based on structure or embedding. However, these methods often demand time-intensive labeling to optimize gate parameters across many circuits, which is crucial for training accurate predictors. Inspired by the classical neural architecture search algorithm A r c h 2 v e c , we investigate the potential of unsupervised representation learning for QAS without relying on predictors. Our framework decouples unsupervised architecture representation learning from the search process, enabling the learned representations to be applied across various downstream tasks. Additionally, it integrates an improved quantum circuit graph encoding scheme, addressing the limitations of existing representations and enhancing search efficiency. This predictor-free approach removes the need for large labeled datasets. During the search, we employ REINFORCE and Bayesian Optimization to explore the latent representation space and compare their performance against baseline methods. We further validate our approach by executing the best-discovered MaxCut circuits on IBM's ibm_sherbrooke quantum processor, confirming that the architectures retain optimal performance even under real hardware noise. Our results demonstrate that the framework efficiently identifies high-performing quantum circuits with fewer search iterations.
Abstract Variational quantum algorithms (VQAs) are expected to be a path to quantum advantages on noisy intermediate-scale quantum devices. However, both empirical and theoretical results exhibit that the deployed ansatz heavily affects the performance of VQAs such that an ansatz with a larger number of quantum gates enables a stronger expressivity, while the accumulated noise may render a poor trainability. To maximally improve the robustness and trainability of VQAs, here we devise a resource and runtime efficient scheme termed quantum architecture search (QAS). In particular, given a learning task, QAS automatically seeks a near-optimal ansatz (i.e., circuit architecture) to balance benefits and side-effects brought by adding more noisy quantum gates to achieve a good performance. We implement QAS on both the numerical simulator and real quantum hardware, via the IBM cloud, to accomplish data classification and quantum chemistry tasks. In the problems studied, numerical and experimental results show that QAS cannot only alleviate the influence of quantum noise and barren plateaus but also outperforms VQAs with pre-selected ansatze.