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arXiv 2103.16093quant-ph
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利用量子叠加编码所有子图特征的图核

Graph kernels encoding features of all subgraphs by quantum superposition

Kaito Kishi, Takahiko Satoh, Rudy Raymond, Naoki Yamamoto, Yasubumi Sakakibara

摘要:

图核在生物信息学和网络应用中经常被用来度量图之间的相似性,因此,它们可以被用来构建高效的图分类器。迄今为止,已经开发了许多图核,但据我们所知,还没有现有的图核考虑所有子图来度量相似性。我们提出了一种新的图核,该图核应用量子计算机来测量图的相似性,通过充分利用量子叠加的能力将每个子图编码为一个特征,从而将所有子图都考虑在内。对于量子核的构造,我们开发了一个有效的协议,该协议去除了编码在量子态中的子图的索引信息。我们还证明了量子计算机需要更少的查询复杂度来构造特征向量比经典的采样器用于近似相同的向量。一个生物信息学问题的详细数值模拟表明,在许多情况下,建议的量子内核实现更好的分类精度比现有的图形内核。

英文摘要:

Graph kernels are often used in bioinformatics and network applications to measure the similarity between graphs; therefore, they may be used to construct efficient graph classifiers. Many graph kernels have been developed thus far, but to the best of our knowledge there is no existing graph kernel that considers all subgraphs to measure similarity. We propose a novel graph kernel that applies a quantum computer to measure the graph similarity taking all subgraphs into account by fully exploiting the power of quantum superposition to encode every subgraph into a feature. For the construction of the quantum kernel, we develop an efficient protocol that removes the index information of subgraphs encoded in the quantum state. We also prove that the quantum computer requires less query complexity to construct the feature vector than the classical sampler used to approximate the same vector. A detailed numerical simulation of a bioinformatics problem is presented to demonstrate that, in many cases, the proposed quantum kernel achieves better classification accuracy than existing graph kernels.

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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