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arXiv 2503.06332quant-phcs.LG
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一种用于图节点嵌入的量子退火方法

A quantum annealing approach to graph node embedding

Los Alamos National Laboratory(洛斯阿拉莫斯国家实验室)

Hristo N. Djidjev

AI总结:

本文提出将图节点嵌入问题形式化为QUBO,并在D-Wave量子退火器上实现与评估,证明量子退火是一种可扩展且高效的图学习替代方法。

摘要:

节点嵌入是一种将图节点表示为向量、同时保留结构和关系属性的关键技术,可用于特征提取、聚类和分类等机器学习任务。虽然DeepWalk、node2vec和图卷积网络等经典方法通过捕捉图中的结构和关系模式来学习节点嵌入,但它们通常需要大量计算资源,并且在大规模图上面临可扩展性困难。量子计算利用量子效应并引入新颖的优化方法,为基于图的学习提供了一种有前景的替代方案。变分量子电路和量子核方法已被探索用于嵌入任务,但由于含噪声中等规模量子(NISQ)硬件的限制,其可扩展性仍然有限。在本文中,我们研究量子退火(QA)作为一种替代方法,以缓解与基于量子门的模型相关的关键挑战。我们提出了节点嵌入问题的若干种二次无约束二值优化(QUBO)形式化表述,使其与当前由D-Wave等公司开发的量子退火器兼容。我们在D-Wave量子退火器上实现了我们的算法,并在最多包含100个节点、嵌入维度最高为5的图上评估其性能。我们的研究结果表明,QA是一种可行的基于图的学习方法,为以往的量子嵌入技术提供了一种可扩展且高效的替代方案。

英文摘要:

Node embedding is a key technique for representing graph nodes as vectors while preserving structural and relational properties, which enables machine learning tasks like feature extraction, clustering, and classification. While classical methods such as DeepWalk, node2vec, and graph convolutional networks learn node embeddings by capturing structural and relational patterns in graphs, they often require significant computational resources and struggle with scalability on large graphs. Quantum computing provides a promising alternative for graph-based learning by leveraging quantum effects and introducing novel optimization approaches. Variational quantum circuits and quantum kernel methods have been explored for embedding tasks, but their scalability remains limited due to the constraints of noisy intermediate-scale quantum (NISQ) hardware. In this paper, we investigate quantum annealing (QA) as an alternative approach that mitigates key challenges associated with quantum gate-based models. We propose several formulations of the node embedding problem as a quadratic unconstrained binary optimization (QUBO) instance, making it compatible with current quantum annealers such as those developed by D-Wave. We implement our algorithms on a D-Wave quantum annealer and evaluate their performance on graphs with up to 100 nodes and embedding dimensions of up to 5. Our findings indicate that QA is a viable approach for graph-based learning, providing a scalable and efficient alternative to previous quantum embedding techniques.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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