2012 AStructuralClusterKernelforLear

• (Seeland et al., 2012) ⇒ Madeleine Seeland, Andreas Karwath, and Stefan Kramer. (2012). “A Structural Cluster Kernel for Learning on Graphs.” In: Proceedings of the 18th ACM SIGKDD International Conference on Knowledge Discovery and Data Mining (KDD-2012). ISBN:978-1-4503-1462-6 doi:10.1145/2339530.2339614

Subject Headings:

Cited By

• http://scholar.google.com/scholar?q=%222012%22+A+Structural+Cluster+Kernel+for+Learning+on+Graphs
• http://dl.acm.org/citation.cfm?id=2339530.2339614&preflayout=flat#citedby

Quotes

Author Keywords

• Cheminformatics; cluster kernels; data mining; graph kernels; qsar; structural graph clustering

Abstract

In recent years, graph kernels have received considerable interest within the machine learning and data mining community. Here, we introduce a novel approach enabling kernel methods to utilize additional information hidden in the structural neighborhood of the graphs under consideration. Our novel structural cluster kernel (SCK) incorporates similarities induced by a structural clustering algorithm to improve state-of-the-art graph kernels. The approach taken is based on the idea that graph similarity can not only be described by the similarity between the graphs themselves, but also by the similarity they possess with respect to their structural neighborhood. We applied our novel kernel in a supervised and a semi-supervised setting to regression and classification problems on a number of real-world datasets of molecular graphs.

Our results show that the structural cluster similarity information can indeed leverage the prediction performance of the base kernel, particularly when the dataset is structurally sparse and consequently structurally diverse. By additionally taking into account a large number of unlabeled instances the performance of the structural cluster kernel can further be improved.

References

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	Author	volume	Date Value	title	type	journal	titleUrl	doi	note	year
2012 AStructuralClusterKernelforLear	Stefan Kramer Madeleine Seeland Andreas Karwath			A Structural Cluster Kernel for Learning on Graphs				10.1145/2339530.2339614		2012