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arXiv:2304.06981 · Genetic and Evolutionary Computation Conference Companion (GECCO Companion)

QNEAT: Natural Evolution of Variational Quantum Circuit Architecture

Alessandro Giovagnoli, Volker Tresp, Yunpu Ma, Matthias Schubert

Published Jul 15, 2023• 17 citations
arXivHTMLPDF

Abstract

Quantum Machine Learning (QML) is a recent and rapidly evolving field where the theoretical framework and logic of quantum mechanics are employed to solve machine learning tasks. Various techniques with different levels of quantum-classical hybridization have been proposed. Here we focus on variational quantum circuits (VQC), which emerged as the most promising candidates for the quantum counterpart of neural networks in the noisy intermediate-scale quantum (NISQ) era. Although showing promising results, VQCs can be hard to train because of different issues, e.g., barren plateau, periodicity of the weights, or choice of architecture. This paper focuses on this last problem for finding optimal architectures of variational quantum circuits for various tasks. To address it, we propose a gradient-free algorithm inspired by natural evolution to optimize both the weights and the architecture of the VQC. In particular, we present a version of the well-known neuroevolution of augmenting topologies (NEAT) algorithm and adapt it to the case of variational quantum circuits. We refer to the proposed architecture search algorithm for VQC as QNEAT. We test the algorithm with different benchmark problems of classical fields of machine learning i.e. reinforcement learning and combinatorial optimization.

DOI
10.1145/3583133.3590675

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Quantum Machine Learning (QML) is a recent and rapidly evolving field where the theoretical framework and logic of quantum mechanics are employed to solve machine learning tasks. Various techniques with different levels of quantum-classical hybridization have been proposed. Here we focus on variational quantum circuits (VQC), which emerged as the most promising candidates for the quantum counterpart of neural networks in the noisy intermediate-scale quantum (NISQ) era. Although showing promising results, VQCs can be hard to train because of different issues, e.g., barren plateau, periodicity of the weights, or choice of architecture. This paper focuses on this last problem for finding optimal architectures of variational quantum circuits for various tasks. To address it, we propose a gradient-free algorithm inspired by natural evolution to optimize both the weights and the architecture of the VQC. In particular, we present a version of the well-known neuroevolution of augmenting topologies (NEAT) algorithm and adapt it to the case of variational quantum circuits. We refer to the proposed architecture search algorithm for VQC as QNEAT. We test the algorithm with different benchmark problems of classical fields of machine learning i.e. reinforcement learning and combinatorial optimization.
The use of Variational Quantum Circuits (VQCs), which are an important type of model in Quantum Machine Learning (QML) that will be used with Basic Quantum Computers during their Noisy intermediate-scale quantum (NISQ) era, is very dependent on the properties of the circuits themselves (architectures) and how they are trained (training settings). In fact, this model is so dependent on the knowledge of the human designer that creating these models takes significant time and energy to develop properly through qualitatively high amounts of quantum knowledge. In this work, we propose a new method for automatically building and training quantum machine learning models using an AutoML-Assisted approach to optimize VQCs. The overall goal of the AutoML-Assisted approach is to treat the design of quantum circuits as a learning problem and utilize Neural Architecture Search ( NAS ) to search end to end on the architecture, variational parameters, and hyperparameters automatically. Our experimental results on classification tasks show that the automatically learned VQCs not only give better accuracy but also give faster convergence and generally are more robust to quantum noise than warehouse VQCs developed by humans. This work makes a direct contribution to increasing the automation and scalability by which quantum machine learning can be run on NISQ computers.
The rapid advancements in quantum computing (QC) and machine learning (ML) have led to the emergence of quantum machine learning (QML), which integrates the strengths of both fields. Among QML approaches, variational quantum circuits (VQCs), also known as quantum neural networks (QNNs), have shown promise both empirically and theoretically. However, their broader adoption is hindered by reliance on quantum hardware during inference. Hardware imperfections and limited access to quantum devices pose practical challenges. To address this, the Quantum-Train (QT) framework leverages the exponential scaling of quantum amplitudes to generate classical neural network parameters, enabling inference without quantum hardware and achieving significant parameter compression. Yet, designing effective quantum circuit architectures for such quantum-enhanced neural programmers remains non-trivial and often requires expertise in quantum information science. In this paper, we propose an automated solution using differentiable optimization. Our method jointly optimizes both conventional circuit parameters and architectural parameters in an end-to-end manner via automatic differentiation. We evaluate the proposed framework on classification, time-series prediction, and reinforcement learning tasks. Simulation results show that our method matches or outperforms manually designed QNN architectures. This work offers a scalable and automated pathway for designing QNNs that can generate classical neural network parameters across diverse applications.
With the evolution of technology, the need to solve complex computational problems like machine learning and deep learning has shot up. However, even the most powerful classical supercomputers find it difficult to execute these tasks. Advancements in quantum computing are leading researchers and tech-giants who strive for better quantum circuits to do machine learning tasks. Current works on Quantum Machine Learning (QML) ensure less memory consumption and reduced model parameters. However, it is strenuous to simulate the classical deep learning approach on existing quantum computing devices due to the inflexibility of Deep quantum circuits. Consequently, designing viable quantum algorithms for QML for noisy intermediate-scale quantum (NISQ) devices is essential. The proposed work aims to explore Variational Quantum Circuits (VQC) for Deep Q network-based Reinforcement Learning by remodeling the target network and experience replay into a representation of VQC. In addition, to the reduction in model parameters, quantum information encoding schemes are used to achieve better results than classical neural networks. VQCs are employed for policyselection and decision-making reinforcement learning by approximating the deep Q-value function with target network and experience replay.
Neuroevolution, a field that draws inspiration from the evolution of brains in nature, harnesses evolutionary algorithms to construct artificial neural networks. It bears a number of intriguing capabilities that are typically inaccessible to gradient-based approaches, including optimizing neural-network architectures, hyperparameters, and even learning the training rules. In this paper, we introduce a quantum neuroevolution algorithm that autonomously finds near-optimal quantum neural networks for different machine-learning tasks. In particular, we establish a one-to-one mapping between quantum circuits and directed graphs, and reduce the problem of finding the appropriate gate sequences to a task of searching suitable paths in the corresponding graph as a Markovian process. We benchmark the effectiveness of the introduced algorithm through concrete examples including classifications of real-life images and symmetry-protected topological states. Our results showcase the vast potential of neuroevolution algorithms in quantum architecture search, which would boost the exploration towards quantum-learning advantage with noisy intermediate-scale quantum devices.
Recent advancements in machine learning have revolutionised research across various fields. Despite their success, conventional learning techniques are hindered by their significant computational resources and energy requirements. Prompted by recent experimental breakthroughs in quantum computing, variational quantum machine learning (QML) – machine learning integrated with variational quantum circuits (VQCs) – has emerged as a promising alternative. Nonetheless, the theoretical framework underpinning the advantages of variational QML is still rudimentary. Specifically, the training of VQCs faces several challenges, such as the barren plateau problem, where the gradient diminishes exponentially with an increasing qubits. A related issue arises in variational QML training, where the convergence rate is exponentially small. In this thesis, we present theoretically guaranteed solutions to these challenges. First, we construct innovative circuit architectures to address the vanishing gradient problem in deep VQCs. We propose quantum controlled-layer and quantum ResNet structures, demonstrating that the expected gradient norm's lower bound is unaffected by the increase in qubits and circuit depth. Next, we introduce an initialization strategy to mitigate the vanishing gradient issue in general deep quantum circuits. We prove that Gaussian-initialized parameters ensure the gradient norm's decay rate remains inversely polynomial despite the increase in qubit numbers and circuit depth. Finally, we propose a novel and effective theory for analysing the training of quantum neural networks with moderate depths. We prove that, under certain randomness conditions in the circuits and datasets, training converges linearly with a rate inversely proportional to the dataset size. Our approach surpasses previous results, achieving exponentially larger convergence rates with modest depth, or conversely, requiring exponentially less depth for equivalent rates.
In recent years, machine learning and deep learning have driven advances in domains such as image classification, speech recognition, and anomaly detection by leveraging multi-layer neural networks to model complex data. Simultaneously, quantum computing (QC) promises to address classically intractable problems via quantum parallelism, motivating research in quantum machine learning (QML). Among QML techniques, quantum autoencoders show promise for compressing high-dimensional quantum and classical data. However, designing effective quantum circuit architectures for quantum autoencoders remains challenging due to the complexity of selecting gates, arranging circuit layers, and tuning parameters. This paper proposes a neural architecture search (NAS) framework that automates the design of quantum autoencoders using a genetic algorithm (GA). By systematically evolving variational quantum circuit (VQC) configurations, our method seeks to identify high-performing hybrid quantum-classical autoencoders for data reconstruction without becoming trapped in local minima. We demonstrate effectiveness on image datasets, highlighting the potential of quantum autoencoders for efficient feature extraction within a noise-prone, near-term quantum era. Our approach lays a foundation for broader application of genetic algorithms to quantum architecture search, aiming for a robust, automated method that can adapt to varied data and hardware constraints.