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Probabilistic Frequent Subtree Kernels

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Part of the book series: Lecture Notes in Computer Science ((LNAI,volume 9607))

Abstract

We propose a new probabilistic graph kernel. It is defined by the set of frequent subtrees generated from a small random sample of spanning trees of the transaction graphs. In contrast to the ordinary frequent subgraph kernel it can be computed efficiently for any arbitrary graphs. Due to its probabilistic nature, the embedding function corresponding to our graph kernel is not always correct. Our empirical results on artificial and real-world chemical datasets, however, demonstrate that the graph kernel we propose is much faster than other frequent pattern based graph kernels, with only marginal loss in predictive accuracy.

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Notes

  1. 1.

    We assume that the query graph has been selected from the same (unknown) probability distribution as the graphs in the input database.

  2. 2.

    http://glaros.dtc.umn.edu/gkhome/pafi/overview.

  3. 3.

    MUTAG, NCI1, NCI109, and PTC were obtained from http://www.di.ens.fr/~shervashidze/code.html.

  4. 4.

    http://cactus.nci.nih.gov/.

  5. 5.

    http://zinc.docking.org/subsets/lead-like.

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Correspondence to Pascal Welke .

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Welke, P., Horváth, T., Wrobel, S. (2016). Probabilistic Frequent Subtree Kernels. In: Ceci, M., Loglisci, C., Manco, G., Masciari, E., Ras, Z. (eds) New Frontiers in Mining Complex Patterns. NFMCP 2015. Lecture Notes in Computer Science(), vol 9607. Springer, Cham. https://doi.org/10.1007/978-3-319-39315-5_12

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  • DOI: https://doi.org/10.1007/978-3-319-39315-5_12

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  • Publisher Name: Springer, Cham

  • Print ISBN: 978-3-319-39314-8

  • Online ISBN: 978-3-319-39315-5

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