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2015 | OriginalPaper | Buchkapitel

Transitive Assignment Kernels for Structural Classification

verfasst von : Michele Schiavinato, Andrea Gasparetto, Andrea Torsello

Erschienen in: Similarity-Based Pattern Recognition

Verlag: Springer International Publishing

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Abstract

Kernel methods provide a convenient way to apply a wide range of learning techniques to complex and structured data by shifting the representational problem from one of finding an embedding of the data to that of defining a positive semi-definite kernel. One problem with the most widely used kernels is that they neglect the locational information within the structures, resulting in less discrimination. Correspondence-based kernels, on the other hand, are in general more discriminating, at the cost of sacrificing positive-definiteness due to their inability to guarantee transitivity of the correspondences between multiple graphs. In this paper we adopt a general framework for the projection of (relaxed) correspondences onto the space of transitive correspondences, thus transforming any given matching algorithm onto a transitive multi-graph matching approach. The resulting transitive correspondences can then be used to provide a kernel that both maintains locational information and is guaranteed to be positive-definite. Experimental evaluation validates the effectiveness of the kernel for several structural classification tasks.

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Literatur
1.
Zurück zum Zitat Siddiqi, K., Shokoufandeh, A., Dickinson, S., Zucker, S.: Shock graphs and shape matching. Int. J. Comput. Vis. 35, 13–32 (1999)CrossRef Siddiqi, K., Shokoufandeh, A., Dickinson, S., Zucker, S.: Shock graphs and shape matching. Int. J. Comput. Vis. 35, 13–32 (1999)CrossRef
2.
Zurück zum Zitat Jeong, H., Tombor, B., Albert, R., Oltvai, Z., Barabási, A.: The large-scale organization of metabolic networks. Nature 407, 651–654 (2000)CrossRef Jeong, H., Tombor, B., Albert, R., Oltvai, Z., Barabási, A.: The large-scale organization of metabolic networks. Nature 407, 651–654 (2000)CrossRef
3.
Zurück zum Zitat Ito, T., Chiba, T., Ozawa, R., Yoshida, M., Hattori, M., Sakaki, Y.: A comprehensive two-hybrid analysis to explore the yeast protein interactome. Proc. Natl. Acad. Sci. 98, 4569 (2001)CrossRef Ito, T., Chiba, T., Ozawa, R., Yoshida, M., Hattori, M., Sakaki, Y.: A comprehensive two-hybrid analysis to explore the yeast protein interactome. Proc. Natl. Acad. Sci. 98, 4569 (2001)CrossRef
4.
Zurück zum Zitat Kalapala, V., Sanwalani, V., Moore, C.: The structure of the united states road network. Preprint, University of New Mexico (2003) Kalapala, V., Sanwalani, V., Moore, C.: The structure of the united states road network. Preprint, University of New Mexico (2003)
5.
Zurück zum Zitat Conte, D., Foggia, P., Sansone, C., Vento, M.: Thirty years of graph matching in pattern recognition. IJPRAI 18, 265–298 (2004) Conte, D., Foggia, P., Sansone, C., Vento, M.: Thirty years of graph matching in pattern recognition. IJPRAI 18, 265–298 (2004)
6.
Zurück zum Zitat Luo, B., Wilson, R.C., Hancock, E.R.: Spectral embedding of graphs. Pattern Recogn. 36, 2213–2230 (2003)CrossRefMATH Luo, B., Wilson, R.C., Hancock, E.R.: Spectral embedding of graphs. Pattern Recogn. 36, 2213–2230 (2003)CrossRefMATH
7.
Zurück zum Zitat Wilson, R.C., Hancock, E.R., Luo, B.: Pattern vectors from algebraic graph theory. IEEE Trans. Pattern Anal. Mach. Intell. 27, 1112–1124 (2005)CrossRef Wilson, R.C., Hancock, E.R., Luo, B.: Pattern vectors from algebraic graph theory. IEEE Trans. Pattern Anal. Mach. Intell. 27, 1112–1124 (2005)CrossRef
8.
Zurück zum Zitat Gasparetto, A., Minello, G., Torsello, A.: A non-parametric spectral model for graph classification. In: Proceedings of the International Conference on Pattern Recognition Applications and Methods, pp. 312–319 (2015) Gasparetto, A., Minello, G., Torsello, A.: A non-parametric spectral model for graph classification. In: Proceedings of the International Conference on Pattern Recognition Applications and Methods, pp. 312–319 (2015)
9.
Zurück zum Zitat Torsello, A., Gasparetto, A., Rossi, L., Bai, L., Hancock, E.R.: Transitive state alignment for the quantum Jensen-Shannon kernel. In: Fränti, P., Brown, G., Loog, M., Escolano, F., Pelillo, M. (eds.) S+SSPR 2014. LNCS, vol. 8621, pp. 22–31. Springer, Heidelberg (2014) Torsello, A., Gasparetto, A., Rossi, L., Bai, L., Hancock, E.R.: Transitive state alignment for the quantum Jensen-Shannon kernel. In: Fränti, P., Brown, G., Loog, M., Escolano, F., Pelillo, M. (eds.) S+SSPR 2014. LNCS, vol. 8621, pp. 22–31. Springer, Heidelberg (2014)
11.
Zurück zum Zitat Scholkopf, B., Smola, A.J.: Learning with Kernels: Support Vector Machines, Regularization, Optimization, and Beyond. MIT Press, Cambridge (2001) Scholkopf, B., Smola, A.J.: Learning with Kernels: Support Vector Machines, Regularization, Optimization, and Beyond. MIT Press, Cambridge (2001)
12.
Zurück zum Zitat Gärtner, T., Flach, P.A., Wrobel, S.: On graph kernels: hardness results and efficient alternatives. In: Schölkopf, B., Warmuth, M.K. (eds.) COLT/Kernel 2003. LNCS (LNAI), vol. 2777, pp. 129–143. Springer, Heidelberg (2003) CrossRef Gärtner, T., Flach, P.A., Wrobel, S.: On graph kernels: hardness results and efficient alternatives. In: Schölkopf, B., Warmuth, M.K. (eds.) COLT/Kernel 2003. LNCS (LNAI), vol. 2777, pp. 129–143. Springer, Heidelberg (2003) CrossRef
13.
Zurück zum Zitat Haussler, D.: Convolution kernels on discrete structures. Technical Report UCS-CRL-99-10, University of California at Santa Cruz, Santa Cruz, CA, USA (1999) Haussler, D.: Convolution kernels on discrete structures. Technical Report UCS-CRL-99-10, University of California at Santa Cruz, Santa Cruz, CA, USA (1999)
14.
Zurück zum Zitat Kashima, H., Tsuda, K., Inokuchi, A.: Marginalized kernels between labeled graphs. In: ICML, pp. 321–328 (2003) Kashima, H., Tsuda, K., Inokuchi, A.: Marginalized kernels between labeled graphs. In: ICML, pp. 321–328 (2003)
15.
Zurück zum Zitat Borgwardt, K.M., Kriegel, H.P.: Shortest-path kernels on graphs. In: Proceedings of the Fifth IEEE International Conference on Data Mining (ICDM 2005), Washington, DC, USA, pp. 74–81. IEEE Computer Society (2005) Borgwardt, K.M., Kriegel, H.P.: Shortest-path kernels on graphs. In: Proceedings of the Fifth IEEE International Conference on Data Mining (ICDM 2005), Washington, DC, USA, pp. 74–81. IEEE Computer Society (2005)
16.
Zurück zum Zitat Shervashidze, N., Schweitzer, P., van Leeuwen, E.J., Mehlhorn, K., Borgwardt, K.M.: Weisfeiler-lehman graph kernels. J. Mach. Learn. Res. 12, 2539–2561 (2011)MathSciNetMATH Shervashidze, N., Schweitzer, P., van Leeuwen, E.J., Mehlhorn, K., Borgwardt, K.M.: Weisfeiler-lehman graph kernels. J. Mach. Learn. Res. 12, 2539–2561 (2011)MathSciNetMATH
17.
Zurück zum Zitat Kriege, N., Mutzel, P.: Subgraph matching kernels for attributed graphs. In: ICML. icml.cc/Omnipress (2012) Kriege, N., Mutzel, P.: Subgraph matching kernels for attributed graphs. In: ICML. icml.cc/Omnipress (2012)
18.
Zurück zum Zitat Neumann, M., Patricia, N., Garnett, R., Kersting, K.: Efficient graph kernels by randomization. In: Flach, P.A., De Bie, T., Cristianini, N. (eds.) ECML PKDD 2012, Part I. LNCS, vol. 7523, pp. 378–393. Springer, Heidelberg (2012) CrossRef Neumann, M., Patricia, N., Garnett, R., Kersting, K.: Efficient graph kernels by randomization. In: Flach, P.A., De Bie, T., Cristianini, N. (eds.) ECML PKDD 2012, Part I. LNCS, vol. 7523, pp. 378–393. Springer, Heidelberg (2012) CrossRef
19.
Zurück zum Zitat Ong, C.S., Canu, S., Smola, A.J.: Learning with non-positive kernels. In: Proceedings of the 21st International Conference on Machine Learning (ICML), pp. 639–646 (2004) Ong, C.S., Canu, S., Smola, A.J.: Learning with non-positive kernels. In: Proceedings of the 21st International Conference on Machine Learning (ICML), pp. 639–646 (2004)
20.
Zurück zum Zitat Jain, B.J., Geibel, Wysotzki, F.: SVM learning with the SH inner product. In: 12th European Symposium on Artificial Neural Networks, Bruges, Belgium Jain, B.J., Geibel, Wysotzki, F.: SVM learning with the SH inner product. In: 12th European Symposium on Artificial Neural Networks, Bruges, Belgium
21.
Zurück zum Zitat Jain, B.J., Geibel, P., Wysotzki, F.: SVM learning with the Schur-Hadamard inner product for graphs. Neurocomputing 64, 93–105 (2005)CrossRef Jain, B.J., Geibel, P., Wysotzki, F.: SVM learning with the Schur-Hadamard inner product for graphs. Neurocomputing 64, 93–105 (2005)CrossRef
22.
Zurück zum Zitat Schietgat, L., Ramon, J., Bruynooghe, M., Blockeel, H.: An efficiently computable graph-based metric for the classification of small molecules. In: Boulicaut, J.-F., Berthold, M.R., Horváth, T. (eds.) DS 2008. LNCS (LNAI), vol. 5255, pp. 197–209. Springer, Heidelberg (2008) CrossRef Schietgat, L., Ramon, J., Bruynooghe, M., Blockeel, H.: An efficiently computable graph-based metric for the classification of small molecules. In: Boulicaut, J.-F., Berthold, M.R., Horváth, T. (eds.) DS 2008. LNCS (LNAI), vol. 5255, pp. 197–209. Springer, Heidelberg (2008) CrossRef
23.
Zurück zum Zitat Mohr, J., Jain, B.J., Sutter, A., ter Laak, A., Steger-Hartmann, T., Heinrich, N., Obermayer, K.: A maximum common subgraph kernel method for predicting the chromosome aberration test. J. Chem. Inf. Model. 50, 1821–1838 (2010)CrossRef Mohr, J., Jain, B.J., Sutter, A., ter Laak, A., Steger-Hartmann, T., Heinrich, N., Obermayer, K.: A maximum common subgraph kernel method for predicting the chromosome aberration test. J. Chem. Inf. Model. 50, 1821–1838 (2010)CrossRef
25.
Zurück zum Zitat Fröhlich, H., Wegner, J.K., Sieker, F., Zell, A.: Optimal assignment kernels for attributed molecular graphs. In: de Raedt, L., Wrobel, S. (eds.) Proceedings of the 22nd International Conference on Machine Learning (ICML 2005), pp. 225–232. ACM Press, Bonn (2005) Fröhlich, H., Wegner, J.K., Sieker, F., Zell, A.: Optimal assignment kernels for attributed molecular graphs. In: de Raedt, L., Wrobel, S. (eds.) Proceedings of the 22nd International Conference on Machine Learning (ICML 2005), pp. 225–232. ACM Press, Bonn (2005)
26.
Zurück zum Zitat Neuhaus, M., Bunke, H.: Edit distance-based kernel functions for structural pattern classification. Pattern Recogn. 39, 1852–1863 (2006)CrossRefMATH Neuhaus, M., Bunke, H.: Edit distance-based kernel functions for structural pattern classification. Pattern Recogn. 39, 1852–1863 (2006)CrossRefMATH
27.
Zurück zum Zitat Vert, J.P.: The optimal assignment kernel is not positive definite. CoRR abs/0801.4061 (2008) Vert, J.P.: The optimal assignment kernel is not positive definite. CoRR abs/0801.4061 (2008)
28.
Zurück zum Zitat Williams, M.L., Wilson, R.C., Hancock, E.R.: Multiple graph matching with bayesian inference. Pattern Recogn. Lett. 18, 080 (1997)CrossRef Williams, M.L., Wilson, R.C., Hancock, E.R.: Multiple graph matching with bayesian inference. Pattern Recogn. Lett. 18, 080 (1997)CrossRef
29.
Zurück zum Zitat Solé-Ribalta, A., Serratosa, F.: Models and algorithms for computing the common labelling of a set of attributed graphs. Comput. Vis. Image Underst. 115, 929–945 (2011)CrossRef Solé-Ribalta, A., Serratosa, F.: Models and algorithms for computing the common labelling of a set of attributed graphs. Comput. Vis. Image Underst. 115, 929–945 (2011)CrossRef
30.
Zurück zum Zitat Gold, S., Rangarajan, A.: A graduated assignment algorithm for graph matching. IEEE Trans. Pattern Anal. Mach. Intell. 18, 377–388 (1996)CrossRef Gold, S., Rangarajan, A.: A graduated assignment algorithm for graph matching. IEEE Trans. Pattern Anal. Mach. Intell. 18, 377–388 (1996)CrossRef
31.
Zurück zum Zitat Yan, J., Tian, Y., Zha, H., Yang, X., Zhang, Y., Chu, S.M.: Joint optimization for consistent multiple graph matching. In: Proceedings of the 2013 IEEE International Conference on Computer Vision, ICCV 2013, Washington, DC, USA, pp. 1649–1656. IEEE Computer Society (2013) Yan, J., Tian, Y., Zha, H., Yang, X., Zhang, Y., Chu, S.M.: Joint optimization for consistent multiple graph matching. In: Proceedings of the 2013 IEEE International Conference on Computer Vision, ICCV 2013, Washington, DC, USA, pp. 1649–1656. IEEE Computer Society (2013)
32.
Zurück zum Zitat Yan, J., Wang, J., Zha, H., Yang, X., Chu, S.: Consistency-driven alternating optimization for multigraph matching: a unified approach. IEEE Trans. Image Process. 24, 994–1009 (2015)MathSciNetCrossRef Yan, J., Wang, J., Zha, H., Yang, X., Chu, S.: Consistency-driven alternating optimization for multigraph matching: a unified approach. IEEE Trans. Image Process. 24, 994–1009 (2015)MathSciNetCrossRef
33.
Zurück zum Zitat Pachauri, D., Kondor, R., Singh, V.: Solving the multi-way matching problem by permutation synchronization. In: Burges, C.J.C., Bottou, L., Ghahramani, Z., Weinberger, K.Q. (eds.) NIPS, pp. 1860–1868 (2013) Pachauri, D., Kondor, R., Singh, V.: Solving the multi-way matching problem by permutation synchronization. In: Burges, C.J.C., Bottou, L., Ghahramani, Z., Weinberger, K.Q. (eds.) NIPS, pp. 1860–1868 (2013)
34.
Zurück zum Zitat Torsello, A., Rodolà, E., Albarelli, A.: Multiview registration via graph diffusion of dual quaternions. In: The 24th IEEE Conference on Computer Vision and Pattern Recognition, CVPR 2011, Colorado Springs, CO, USA, 20–25 June 2011, pp. 2441–2448. IEEE Computer Society (2011) Torsello, A., Rodolà, E., Albarelli, A.: Multiview registration via graph diffusion of dual quaternions. In: The 24th IEEE Conference on Computer Vision and Pattern Recognition, CVPR 2011, Colorado Springs, CO, USA, 20–25 June 2011, pp. 2441–2448. IEEE Computer Society (2011)
36.
Zurück zum Zitat Sun, J., Ovsjanikov, M., Guibas, L.: A concise and provably informative multi-scale signature based on heat diffusion. In: Proceedings of the Symposium on Geometry Processing, SGP 2009, Aire-la-Ville, Switzerland, Switzerland, pp. 1383–1392. Eurographics Association (2009) Sun, J., Ovsjanikov, M., Guibas, L.: A concise and provably informative multi-scale signature based on heat diffusion. In: Proceedings of the Symposium on Geometry Processing, SGP 2009, Aire-la-Ville, Switzerland, Switzerland, pp. 1383–1392. Eurographics Association (2009)
37.
Zurück zum Zitat Shervashidze, N., Schweitzer, P., van Leeuwen, E.J., Mehlhorn, K., Borgwardt, K.M.: Weisfeiler-Lehman graph kernels. J. Mach. Learn. Res. 12, 2539–2561 (2011)MathSciNetMATH Shervashidze, N., Schweitzer, P., van Leeuwen, E.J., Mehlhorn, K., Borgwardt, K.M.: Weisfeiler-Lehman graph kernels. J. Mach. Learn. Res. 12, 2539–2561 (2011)MathSciNetMATH
38.
Zurück zum Zitat Shervashidze, N., Vishwanathan, S., Petri, T., Mehlhorn, K., Borgwardt, K.: Efficient graphlet kernels for large graph comparison. In: Proceedings of the International Workshop on Artificial Intelligence and Statistics (2009) Shervashidze, N., Vishwanathan, S., Petri, T., Mehlhorn, K., Borgwardt, K.: Efficient graphlet kernels for large graph comparison. In: Proceedings of the International Workshop on Artificial Intelligence and Statistics (2009)
39.
Zurück zum Zitat Borgwardt, K.M., peter Kriegel, H.: Shortest-path kernels on graphs. In: Proceedings of the 2005 International Conference on Data Mining, pp. 74–81 (2005) Borgwardt, K.M., peter Kriegel, H.: Shortest-path kernels on graphs. In: Proceedings of the 2005 International Conference on Data Mining, pp. 74–81 (2005)
40.
Zurück zum Zitat Leordeanu, M., Hebert, M.: A spectral technique for correspondence problems using pairwise constraints. In: Tenth IEEE International Conference on Computer Vision, 2005, ICCV 2005, vol. 2, pp. 1482–1489 (2005) Leordeanu, M., Hebert, M.: A spectral technique for correspondence problems using pairwise constraints. In: Tenth IEEE International Conference on Computer Vision, 2005, ICCV 2005, vol. 2, pp. 1482–1489 (2005)
41.
Zurück zum Zitat Cho, M., Lee, J., Lee, K.M.: Reweighted random walks for graph matching. In: Daniilidis, K., Maragos, P., Paragios, N. (eds.) ECCV 2010, Part V. LNCS, vol. 6315, pp. 492–505. Springer, Heidelberg (2010) CrossRef Cho, M., Lee, J., Lee, K.M.: Reweighted random walks for graph matching. In: Daniilidis, K., Maragos, P., Paragios, N. (eds.) ECCV 2010, Part V. LNCS, vol. 6315, pp. 492–505. Springer, Heidelberg (2010) CrossRef
42.
Zurück zum Zitat Debnath, A.K., de Com-padre, R.L.L., Debnath, G., Schusterman, A.J., Hansch, C.: Structure-activity relationship of mutagenic aromatic and heteroaromatic nitro compounds. correlation with molecular orbital energies and hydrophobicity. Med. Chem. 34, 786–797 (1991)CrossRef Debnath, A.K., de Com-padre, R.L.L., Debnath, G., Schusterman, A.J., Hansch, C.: Structure-activity relationship of mutagenic aromatic and heteroaromatic nitro compounds. correlation with molecular orbital energies and hydrophobicity. Med. Chem. 34, 786–797 (1991)CrossRef
43.
Zurück zum Zitat Jensen, L.J., Kuhn, M., Stark, M., Chaffron, S., Creevey, C., Muller, J., Doerks, T., Julien, P., Roth, A., Simonovic, M., et al.: String 8a global view on proteins and their functional interactions in 630 organisms. Nucleic Acids Res. 37, D412–D416 (2009)CrossRef Jensen, L.J., Kuhn, M., Stark, M., Chaffron, S., Creevey, C., Muller, J., Doerks, T., Julien, P., Roth, A., Simonovic, M., et al.: String 8a global view on proteins and their functional interactions in 630 organisms. Nucleic Acids Res. 37, D412–D416 (2009)CrossRef
44.
Zurück zum Zitat Li, G., Semerci, M., Yener, B., Zaki, M.J.: Effective graph classification based on topological and label attributes. Stat. Anal. Data Min. 5, 265–283 (2012)MathSciNetCrossRef Li, G., Semerci, M., Yener, B., Zaki, M.J.: Effective graph classification based on topological and label attributes. Stat. Anal. Data Min. 5, 265–283 (2012)MathSciNetCrossRef
45.
Zurück zum Zitat Nene, S.A., Nayar, S.K., Murase, H.: Columbia object image library (COIL-20). Technical report, Department of Computer Science, Columbia University, New York (1996) Nene, S.A., Nayar, S.K., Murase, H.: Columbia object image library (COIL-20). Technical report, Department of Computer Science, Columbia University, New York (1996)
46.
Zurück zum Zitat Biasotti, S., Marini, S., Mortara, M., Patané, G., Spagnuolo, M., Falcidieno, B.: 3D shape matching through topological structures. In: Nyström, I., Sanniti di Baja, G., Svensson, S. (eds.) DGCI 2003. LNCS, vol. 2886, pp. 194–203. Springer, Heidelberg (2003) CrossRef Biasotti, S., Marini, S., Mortara, M., Patané, G., Spagnuolo, M., Falcidieno, B.: 3D shape matching through topological structures. In: Nyström, I., Sanniti di Baja, G., Svensson, S. (eds.) DGCI 2003. LNCS, vol. 2886, pp. 194–203. Springer, Heidelberg (2003) CrossRef
47.
Zurück zum Zitat Schomburg, I., Chang, A., Ebeling, C., Gremse, M., Heldt, C., Huhn, G., Schomburg, D.: Brenda, the enzyme database: updates and major new developments. Nucleic Acids Res. 32, D431–D433 (2004)CrossRef Schomburg, I., Chang, A., Ebeling, C., Gremse, M., Heldt, C., Huhn, G., Schomburg, D.: Brenda, the enzyme database: updates and major new developments. Nucleic Acids Res. 32, D431–D433 (2004)CrossRef
Metadaten
Titel
Transitive Assignment Kernels for Structural Classification
verfasst von
Michele Schiavinato
Andrea Gasparetto
Andrea Torsello
Copyright-Jahr
2015
DOI
https://doi.org/10.1007/978-3-319-24261-3_12

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