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From Graphs to Qubits: A Critical Review of Quantum Graph Neural Networks

arXiv.org Artificial Intelligence

Quantum Graph Neural Networks (QGNNs) represent a novel fusion of quantum computing and Graph Neural Networks (GNNs), aimed at overcoming the computational and scalability challenges inherent in classical GNNs that are powerful tools for analyzing data with complex relational structures but suffer from limitations such as high computational complexity and over-smoothing in large-scale applications. Quantum computing, leveraging principles like superposition and entanglement, offers a pathway to enhanced computational capabilities. This paper critically reviews the state-of-the-art in QGNNs, exploring various architectures. We discuss their applications across diverse fields such as high-energy physics, molecular chemistry, finance and earth sciences, highlighting the potential for quantum advantage. Additionally, we address the significant challenges faced by QGNNs, including noise, decoherence, and scalability issues, proposing potential strategies to mitigate these problems. This comprehensive review aims to provide a foundational understanding of QGNNs, fostering further research and development in this promising interdisciplinary field.


A Comparison Between Invariant and Equivariant Classical and Quantum Graph Neural Networks

arXiv.org Machine Learning

Machine learning algorithms are heavily relied on to understand the vast amounts of data from high-energy particle collisions at the CERN Large Hadron Collider (LHC). The data from such collision events can naturally be represented with graph structures. Therefore, deep geometric methods, such as graph neural networks (GNNs), have been leveraged for various data analysis tasks in high-energy physics. One typical task is jet tagging, where jets are viewed as point clouds with distinct features and edge connections between their constituent particles. The increasing size and complexity of the LHC particle datasets, as well as the computational models used for their analysis, greatly motivate the development of alternative fast and efficient computational paradigms such as quantum computation. In addition, to enhance the validity and robustness of deep networks, one can leverage the fundamental symmetries present in the data through the use of invariant inputs and equivariant layers. In this paper, we perform a fair and comprehensive comparison between classical graph neural networks (GNNs) and equivariant graph neural networks (EGNNs) and their quantum counterparts: quantum graph neural networks (QGNNs) and equivariant quantum graph neural networks (EQGNN). The four architectures were benchmarked on a binary classification task to classify the parton-level particle initiating the jet. Based on their AUC scores, the quantum networks were shown to outperform the classical networks. However, seeing the computational advantage of the quantum networks in practice may have to wait for the further development of quantum technology and its associated APIs.


Financial Fraud Detection using Quantum Graph Neural Networks

arXiv.org Artificial Intelligence

Financial fraud detection is essential for preventing significant financial losses and maintaining the reputation of financial institutions. However, conventional methods of detecting financial fraud have limited effectiveness, necessitating the need for new approaches to improve detection rates. In this paper, we propose a novel approach for detecting financial fraud using Quantum Graph Neural Networks (QGNNs). QGNNs are a type of neural network that can process graph-structured data and leverage the power of Quantum Computing (QC) to perform computations more efficiently than classical neural networks. Our approach uses Variational Quantum Circuits (VQC) to enhance the performance of the QGNN. In order to evaluate the efficiency of our proposed method, we compared the performance of QGNNs to Classical Graph Neural Networks using a real-world financial fraud detection dataset. The results of our experiments showed that QGNNs achieved an AUC of $0.85$, which outperformed classical GNNs. Our research highlights the potential of QGNNs and suggests that QGNNs are a promising new approach for improving financial fraud detection.


QGNN: Value Function Factorisation with Graph Neural Networks

arXiv.org Artificial Intelligence

In multi-agent reinforcement learning, the use of a global objective is a powerful tool for incentivising cooperation. Unfortunately, it is not sample-efficient to train individual agents with a global reward, because it does not necessarily correlate with an agent's individual actions. This problem can be solved by factorising the global value function into local value functions. Early work in this domain performed factorisation by conditioning local value functions purely on local information. Recently, it has been shown that providing both local information and an encoding of the global state can promote cooperative behaviour. In this paper we propose QGNN, the first value factorisation method to use a graph neural network (GNN) based model. The multi-layer message passing architecture of QGNN provides more representational complexity than models in prior work, allowing it to produce a more effective factorisation. QGNN also introduces a permutation invariant mixer which is able to match the performance of other methods, even with significantly fewer parameters. We evaluate our method against several baselines, including QMIX-Att, GraphMIX, QMIX, VDN, and hybrid architectures. Our experiments include Starcraft, the standard benchmark for credit assignment; Estimate Game, a custom environment that explicitly models inter-agent dependencies; and Coalition Structure Generation, a foundational problem with real-world applications. The results show that QGNN outperforms state-of-the-art value factorisation baselines consistently.


Quaternion Graph Neural Networks

arXiv.org Machine Learning

Recently, graph neural networks (GNNs) become a principal research direction to learn low-dimensional continuous embeddings of nodes and graphs to predict node and graph labels, respectively. However, Euclidean embeddings have high distortion when using GNNs to model complex graphs such as social networks. Furthermore, existing GNNs are not very efficient with the high number of model parameters when increasing the number of hidden layers. Therefore, we move beyond the Euclidean space to a hyper-complex vector space to improve graph representation quality and reduce the number of model parameters. To this end, we propose quaternion graph neural networks (QGNN) to generalize GCNs within the Quaternion space to learn quaternion embeddings for nodes and graphs. The Quaternion space, a hyper-complex vector space, provides highly meaningful computations through Hamilton product compared to the Euclidean and complex vector spaces. As a result, our QGNN can reduce the model size up to four times and enhance learning better graph representations. Experimental results show that the proposed QGNN produces state-of-the-art accuracies on a range of well-known benchmark datasets for three downstream tasks, including graph classification, semi-supervised node classification, and text (node) classification.