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arXiv:2501.07986 · IEEE Transactions on Emerging Topics in Computational Intelligence

QGHNN: A Quantum Graph Hamiltonian Neural Network

Wenxuan Wang, Jinjing Shi, Nan Guan, Shichao Zhang, Xuelong Li

Published Sep 8, 2025• 5 citations
arXivHTMLPDF

Abstract

Representing and learning from graphs is essential for developing effective machine learning models tailored to non-Euclidean data. While Graph Neural Networks (GNNs) strive to address the challenges posed by complex, high-dimensional graph data, Quantum Neural Networks (QNNs) present a compelling alternative due to their potential for quantum parallelism. However, much of the current QNN research tends to overlook the vital connection between quantum state encoding and graph structures, which limits the full exploitation of quantum computational advantages. To address these challenges, this paper introduces a quantum graph Hamiltonian neural network (QGHNN) to enhance graph representation and learning on noisy intermediate-scale quantum computers. Concretely, a quantum graph Hamiltonian learning method (QGHL) is first created by mapping graphs to the Hamiltonian of the topological quantum system. Then, QGHNN based on QGHL is presented, which trains parameters by minimizing the loss function and uses the gradient descent method to learn the graph. Experiments on the PennyLane quantum platform reveal that QGHNN outperforms all assessment metrics, achieving the lowest mean squared error of0.004and the maximum cosine similarity of99.8%, which shows that QGHNN not only excels in representing and learning graph information, but it also has high robustness ability. QGHNN can reduce the impact of quantum channel noise and has significant potential application in future research of quantum knowledge graphs and recommendation systems.

DOI
10.1109/tetci.2025.3604791

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Graph Neural Networks (GNNs) are powerful machine learning models that excel at analyzing structured data represented as graphs, demonstrating remarkable performance in applications like social network analysis and recommendation systems. However, classical GNNs face scalability challenges when dealing with large-scale graphs. This paper proposes frameworks for implementing GNNs on quantum computers to potentially address the challenges. We devise quantum algorithms corresponding to the three fundamental types of classical GNNs: Graph Convolutional Networks, Graph Attention Networks, and Message-Passing GNNs. A complexity analysis of our quantum implementation of the Simplified Graph Convolutional (SGC) Network shows potential quantum advantages over its classical counterpart, with significant improvements in time and space complexities. Our complexities can have trade-offs between the two: when optimizing for minimal circuit depth, our quantum SGC achieves logarithmic time complexity in the input sizes (albeit at the cost of linear space complexity). When optimizing for minimal qubit usage, the quantum SGC exhibits space complexity logarithmic in the input sizes, offering an exponential reduction compared to classical SGCs, while still maintaining better time complexity. These results suggest our Quantum GNN frameworks could efficiently process large-scale graphs. This work paves the way for implementing more advanced Graph Neural Network models on quantum computers, opening new possibilities in quantum machine learning for analyzing graph-structured data.
Graph Neural Networks (GNNs) excel at learning from graph-structured data but are limited to modeling pairwise interactions, insufficient for capturing higher-order relationships present in many real-world systems. Topological Deep Learning (TDL) has allowed for systematic modeling of hierarchical higher-order interactions by relying on combinatorial topological spaces such as simplicial complexes. In parallel, Quantum Neural Networks (QNNs) have been introduced to leverage quantum mechanics for enhanced computational and learning power. In this work, we present the first Quantum Topological Deep Learning Model: Quantum Simplicial Networks (QSNs), being QNNs operating on simplicial complexes. QSNs are a stack of Quantum Simplicial Layers, which are inspired by the Ising model to encode higher-order structures into quantum states. Experiments on synthetic classification tasks show that QSNs can outperform classical simplicial TDL models in accuracy and efficiency, demonstrating the potential of combining quantum computing with TDL for processing data on combinatorial topological spaces.
Quantum machine learning is a fast-emerging field that aims to tackle machine learning using quantum algorithms and quantum computing. Due to the lack of physical qubits and an effective means to map real-world data from Euclidean space to Hilbert space, most of these methods focus on quantum analogies or process simulations rather than devising concrete architectures based on qubits. In this paper, we propose a novel hybrid quantum-classical algorithm for graph-structured data, which we refer to as the Ego-graph based Quantum Graph Neural Network (egoQGNN). egoQGNN implements the GNN theoretical framework using the tensor product and unity matrix representation, which greatly reduces the number of model parameters required. When controlled by a classical computer, egoQGNN can accommodate arbitrarily sized graphs by processing ego-graphs from the input graph using a modestly-sized quantum device. The architecture is based on a novel mapping from real-world data to Hilbert space. This mapping maintains the distance relations present in the data and reduces information loss. Experimental results show that the proposed method outperforms competitive state-of-the-art models with only 1.68\% parameters compared to those models.
Graph Neural Networks (GNNs) are now one of the key tools to model relational and non-Euclidean data in multiagent systems, infrastructure networks and even molecular modeling applications. Nevertheless, in very dense or noisy graph topologies, classical message-passing architectures may experience scalability and representational degeneration, especially due to over-smoothing and insufficient higher-order dependency information. The recent developments in quantum machine learning indicate that hybrid quantum-classical models can also provide an alternative feature representation by projecting relational data to parameterized quantum circuits. This article presents a Quantum-Enhanced Graph Neural Network (QGNN) architecture that extends variational quantum circuits with graph learning pipelines, based on classical learning. Parameters are represented as parameterized qubits, and relational dependencies are represented as structured entanglement mappings. We benchmark the regimes where quantum-enhanced relational encoding proves to be more robust and stable through the swarm coordination, molecular property prediction, and financial transaction network. We also elaborate on the issue of scalability, hardware issues, and practical aspects of near-term hybrid implementations and give a critical view of the changing role of quantum methods in computational intelligence systems.