Abstract This paper presents a novel approach to quantum architecture search by integrating the techniques of ZX-calculus with Genetic Programming (GP) to optimize the structure of parameterized quantum circuits employed in quantum machine learning (QML). Recognizing the challenges in designing efficient quantum circuits for QML, we propose a GP framework that utilizes mutations defined via ZX-calculus, a graphical language that can simplify visualizing and working with quantum circuits. Our methodology focuses on evolving quantum circuits with the aim of enhancing their capability to approximate functions relevant in various machine learning tasks. We introduce several mutation operators inspired by the transformation rules of ZX-calculus and investigate their impact on the learning efficiency and accuracy of quantum circuits. The empirical analysis involves a comparative study where these mutations are applied to a diverse set of quantum regression problems, measuring performance metrics such as the percentage of valid circuits after the mutation, improvement of the objective, and circuit depth and width. Our results indicate that certain ZX-calculus-based mutations perform significantly better than others for quantum architecture search (QAS) in all metrics considered. They suggest that ZX-diagram-based QAS results in shallower circuits and more uniformly allocated gates than crude genetic optimization based on the circuit model. The code used for the numerical experiments is open source and can be found at TODO https://gitlab.cc-asp.fraunhofer.de/itwm-fm-qc-public/cvqa .
Abstract This paper presents a novel approach to quantum architecture search by integrating the techniques of ZX-calculus with Genetic Programming (GP) to optimize the structure of parameterized quantum circuits employed in quantum machine learning (QML). Recognizing the challenges in designing efficient quantum circuits for QML, we propose a GP framework that utilizes mutations defined via ZX-calculus, a graphical language that can simplify visualizing and working with quantum circuits. Our methodology focuses on evolving quantum circuits with the aim of enhancing their capability to approximate functions relevant in various machine learning tasks. We introduce several mutation operators inspired by the transformation rules of ZX-calculus and investigate their impact on the learning efficiency and accuracy of quantum circuits. The empirical analysis involves a comparative study where these mutations are applied to a diverse set of quantum regression problems, measuring performance metrics such as the percentage of valid circuits after the mutation, improvement of the objective, and circuit depth and width. Our results indicate that certain ZX-calculus-based mutations perform significantly better than others for quantum architecture search (QAS) in all metrics considered. They suggest that ZX-diagram-based QAS results in shallower circuits and more uniformly allocated gates than crude genetic optimization based on the circuit model. The code used for the numerical experiments is open source and can be found at TODO https://gitlab.cc-asp.fraunhofer.de/itwm-fm-qc-public/cvqa .
Abstract With the ongoing advances in noisy intermediate-scale quantum hardware, variational quantum algorithms have demonstrated significant potential in a range of quantum applications. However, obtaining high-performance, shallow-parameterized quantum circuits typically requires repeated optimization of the gate parameters over a large set of candidate circuits, resulting in prohibitively high evaluation costs. To address this challenge, this study proposes a novel predictor-based quantum architecture search (PQAS-ZX) method that leverages ZX-calculus. In this approach, a quantum circuit is first represented as a ZX diagram that supports multi-step equivalent simplifications at the diagram level. By applying these equivalence transformations, multiple circuit variants that share the same performance metric are generated, thereby significantly expanding the training dataset and enhancing the ability of the predictor to manage diverse circuit structures. ZX diagrams offer more flexible characterizations of multi-qubit entanglement and phase interactions, as well as higher-level equivalent transformations, compared with the state-of-the-art predictor-based quantum architecture search with graph measures (PQAS-GM). Numerical simulations of three variational quantum eigensolver tasks, namely the transverse-field Ising, Heisenberg, and BeH2 molecular models, demonstrated that PQAS-ZX required only approximately 80.9%, 82.9%, and 76.1% of the queries required by PQAS-GM, respectively, to achieve the same probability of reaching the target ground-state energy. These results highlight the advantage of using ZX diagrams to identify high-quality circuits efficiently and alleviate the evaluation burden of quantum architecture searches.
Demonstrating quantum advantage using conventional quantum algorithms remains challenging on current noisy gate-based quantum computers. Automated quantum circuit synthesis via quantum machine learning has emerged as a promising solution, employing trainable parametric quantum circuits to alleviate this. The circuit ansatz in these solutions is often designed through reinforcement learning-based quantum architecture search when the domain knowledge of the problem and hardware are not effective. However, the interpretability of these synthesized circuits remains a significant bottleneck, limiting their scalability and applicability across diverse problem domains. This work addresses the challenge of explainability in quantum architecture search (QAS) by introducing a novel genetic programming-based decompiler framework for reverse-engineering high-level quantum algorithms from low-level circuit representations. The proposed approach, implemented in the open-source tool DeQompile, employs program synthesis techniques, including symbolic regression and abstract syntax tree manipulation, to distill interpretable Qiskit algorithms from quantum assembly language. Validation of benchmark algorithms demonstrates the efficacy of our tool. By integrating the decompiler with online learning frameworks, this research potentiates explainable QAS by fostering the development of generalizable and provable quantum algorithms.
Quantum computing combined with machine learning, is a promising emerging field for tackling problems that are extremely expensive or fundamentally infeasible for classical computers. Nonetheless, design of the optimal quantum circuit for machine learning is a major challenge, which can be attributed to the exponential search space of the quantum gate arrangement and unmatched structured design methods. To resolve this, our work introduces a novel automated framework for quantum architecture search (AQAS) that adopts both meta-learning and evolutionary algorithms to automatically learn, transfer, and optimize quantum circuit architectures to suit different machine learning tasks. Our strategy relies on meta-learning to introduce a learning scheme, i.e. it allows the AQAS system to generalize across distributions by learning from a shared structural and functional prior from the distribution of machine learning problems. This enables the approach to quickly home in effective quantum circuit implementations for new tasks with low data or retraining. At the same time, we use evolutionary algorithms– mimicking natural selection– to breed populations of quantum circuit architectures. These circuits are represented in genotypes, are varied under mutation and crossover, and are selected according to a fitness function that blends quantum resource utilization (e.g., depth, qubits) with task-specific performance (e.g., classification accuracy or loss). The architecture is realized in a mixed quantum-classical environment, with quantum circuits simulated on quantum simulators and/or Noisy-Intermediate-Scale-Quantum (NISQ) devices. We verify the effectiveness of our approach on a number of benchmarked datasets and tasks which range from quantum-aided image recognition, time series prediction to medical diagnostics. We demonstrate that AQAS can discover compact, high-performing quantum models, which generalize better and are computationally more efficient than the custom-built quantum models.
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.
Quantum computing is currently strongly limited by the impact of noise, in particular introduced by the application of two-qubit gates. For this reason, reducing the number of two-qubit gates is of paramount importance on noisy intermediate-scale quantum hardware. To advance towards more reliable quantum computing, we introduce a framework based on ZX calculus, graph-neural networks and reinforcement learning for quantum circuit optimization. By combining reinforcement learning and tree search, our method addresses the challenge of selecting optimal sequences of ZX calculus rewrite rules. Instead of relying on existing heuristic rules for minimizing circuits, our method trains a novel reinforcement learning policy that directly operates on ZX-graphs, therefore allowing us to search through the space of all possible circuit transformations to find a circuit significantly minimizing the number of CNOT gates. This way we can scale beyond hard-coded rules towards discovering arbitrary optimization rules. We demonstrate our method's competetiveness with state-of-the-art circuit optimizers and generalization capabilities on large sets of diverse random circuits.
Variational quantum algorithm is a leading approach for quantum chemistry and many-body physics on noisy intermediate-scale quantum devices. The performance depends strongly on the structure of the parameterized quantum circuits. Quantum architecture search (QAS) can automate ansatz design. However, it requires repeated training and evaluation of many candidate circuits, leading to high evaluation cost. In this work, we propose a noise-aware quantum architecture search framework based on ZX-calculus topological reuse (ZX-QAS). The framework encodes the search space with a ternary Gray-code mapping and integrates a noise-aware quantum neural network with a ZX-calculus topological reuse mechanism. The effectiveness of the framework is validated through ground-state energy estimation tasks and one-dimensional transverse-field Ising model tasks under noisy conditions. The results show that the ZX-QAS exhibits stable convergence and remarkably reduces the cost of expensive evaluations under noisy conditions.