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.
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.
Quantum computing leverages quantum mechanics to address computational problems in ways that differ fundamentally from classical approaches. While current quantum hardware remains error-prone and limited in scale, Variational Quantum Circuits offer a noise-resilient framework suitable for today's devices. The performance of these circuits strongly depends on the underlying architecture of their parameterized quantum components. Identifying efficient, hardware-compatible quantum circuit architectures -- known as Quantum Architecture Search (QAS) -- is therefore essential. Manual QAS is complex and error-prone, motivating efforts to automate it. Among various automated strategies, Reinforcement Learning (RL) remains underexplored, particularly in Quantum Machine Learning contexts. This work introduces RL-QAS, a framework that applies RL to discover effective circuit architectures for classification tasks. We evaluate RL-QAS using the Iris and binary MNIST datasets. The agent autonomously discovers low-complexity circuit designs that achieve high test accuracy. Our results show that RL is a viable approach for automated architecture search in quantum machine learning. However, applying RL-QAS to more complex tasks will require further refinement of the search strategy and performance evaluation mechanisms.
Recent advancements in quantum computing have shown promising computational advantages in many problem areas. As one of those areas with increasing attention, hybrid quantum-classical machine learning systems have demonstrated the capability to solve various data-driven learning tasks. Recent works show that parameterized quantum circuits (PQCs) can be used to solve challenging reinforcement learning (RL) tasks with provable learning advantages. While existing works yield potentials of PQC-based methods, the design choices of PQC architectures and their influences on the learning tasks are generally underexplored. In this work, we introduce EQAS-PQC, an evolutionary quantum architecture search framework for PQC-based models, which uses a population-based genetic algorithm to evolve PQC architectures by exploring the search space of quantum operations. Experimental results show that our method can significantly improve the performance of hybrid quantum-classical models in solving benchmark reinforcement problems. We also model the probability distributions of quantum operations in top-performing architectures to identify essential design choices that are critical to the performance.
There is increasing interest in the area of quantum computing, but using and developing new quantum algorithms, often represented as quantum circuits, is arduous and requires designers with a wide area of experience. The exploration of techniques for the automatic design of quantum algorithms, i.e., quantum architecture search, is therefore of high importance. This work explores the use of neural networks for quantum architecture search, since neural networks have proven quite successful in various complex search domains, and current approaches in quantum architecture search make very restricted use of them. There are many different domains in which quantum architecture search can be applied. They can be used to compile unitaries into quantum circuits, develop ansätze for variational quantum circuits, or develop new quantum algorithms by applying it to input output pairs of one task one wishes to solve. The focus in this thesis is on the task of quantum state preparation, a very important task in the field of quantum computing, as it is a subroutine in a large number of quantum algorithms like quantum machine learning and Hamiltonian simulation. This thesis approaches the task of quantum architecture search first by establishing the importance of the structure of quantum circuits. This is done with a large-scale study of the influence different circuit structure parameters, such as qubits and depth, have on the performance on variational quantum machine learning. During this research, four guidelines for designing circuits for variational quantum machine learning were established. DeepQPrep, a neural network-augmented deductive search for the automatic design of quantum circuits for quantum state preparation, was proposed. It is able to create non-parameterized quantum circuits to solve 76.9% of a restrictive set of quantum states with quantum circuits that were much shallower than the ones found in the ground-truth data. The model was trained on a dataset created in this thesis as none were available at the time. During the exploration of extensions of DeepQPrep to enable it to solve more arbitrary quantum state preparation problems without the need for labeled data, different challenges became apparent. A study on the difficulty of training neural networks to create parameterized quantum circuits using reinforcement learning found that training is hampered by the barren plateau problem of quantum computing. It shows that the variance of the gradient of the quantum circuit output with respect to its parameters goes exponentially to zero. A study showed that this problem makes the application of neural networks to encode quantum circuits highly challenging when no intermediate quantum state information is used. This culminated in DeepQPrepGrad, which combines parameterized circuits, the inductive search of DeepQPrep, and the reinforcement learning-based approach with more compact representations. By combining these parts with the gradients of quantum circuits, an approach that is able to create parameterized quantum circuits for arbitrary quantum states was obtained. The approach was evaluated on 20000 arbitrary 3-qubit quantum states without the need for any labeled data, resulting in a mean minimal similarity of 0.97 alleviated the found challenges to a large degree. This thesis explored key challenges faced when training neural networks to encode quantum circuits. These challenges are of paramount importance as they potentially affect a wide range of tasks in the field of quantum computing to which neural networks could be applied. Lastly, DeepQPrepGrad provides a significant step forward for the creation of quantum circuits using neural networks. DeepQPrepGrad makes great progress in solving the challenges highlighted above and has the potential to be applicable in a wide range of quantum architecture search tasks, such as variational eigensolver and variational quantum machine learning.
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.
With the rapid development of quantum computing, the variational quantum algorithms capitalize on the classical optimizer and parametrized quantum circuit to provide outperformance on specific tasks such as combinatorial optimization problems. However, the performance of these hybrid quantum-classical algorithms heavily relies on the design of quantum circuit architecture. Being restricted by the noise of the near-term quantum device, how to trade off the computational power of quantum circuits and the noise of quantum gates is a challenging task for design circuit architecture. In this paper, we give a brief view of the recently proposed methods for quantum architecture search including the differentiable circuit search method, deep reinforcement learning based method, and evolutionary based methods.
Recent advancements in quantum computing (QC) and machine learning (ML) have fueled significant research efforts aimed at integrating these two transformative technologies. Quantum machine learning (QML), an emerging interdisciplinary field, leverages quantum principles to enhance the performance of ML algorithms. Concurrently, the exploration of systematic and automated approaches for designing high-performance quantum circuit architectures for QML tasks has gained prominence, as these methods empower researchers outside the quantum computing domain to effectively utilize quantum-enhanced tools. This tutorial will provide an in-depth overview of recent breakthroughs in both areas, highlighting their potential to expand the application landscape of QML across diverse fields.