Skip to main content

2024 | OriginalPaper | Buchkapitel

Subgraph Mining for Graph Neural Networks

verfasst von : Adem Kikaj, Giuseppe Marra, Luc De Raedt

Erschienen in: Advances in Intelligent Data Analysis XXII

Verlag: Springer Nature Switzerland

Aktivieren Sie unsere intelligente Suche, um passende Fachinhalte oder Patente zu finden.

search-config
loading …

Abstract

While Graph Neural Networks (GNNs) are state-of-the-art models for graph learning, they are only as expressive as the first-order Weisfeiler-Leman graph isomorphism test algorithm. To enhance their expressiveness one can incorporate complex structural information as attributes of the nodes in input graphs. However, this typically demands significant human effort and specialised domain knowledge. We demonstrate the feasibility of automatically extracting such information through subgraph mining and feature selection. Our experimental evaluation, conducted across graph classification tasks, reveals that GNNs extended with automatically selected features obtained using subgraph mining can achieve comparable or even superior performance to GNNs relying on manually crafted features.

Sie haben noch keine Lizenz? Dann Informieren Sie sich jetzt über unsere Produkte:

Springer Professional "Wirtschaft+Technik"

Online-Abonnement

Mit Springer Professional "Wirtschaft+Technik" erhalten Sie Zugriff auf:

  • über 102.000 Bücher
  • über 537 Zeitschriften

aus folgenden Fachgebieten:

  • Automobil + Motoren
  • Bauwesen + Immobilien
  • Business IT + Informatik
  • Elektrotechnik + Elektronik
  • Energie + Nachhaltigkeit
  • Finance + Banking
  • Management + Führung
  • Marketing + Vertrieb
  • Maschinenbau + Werkstoffe
  • Versicherung + Risiko

Jetzt Wissensvorsprung sichern!

Springer Professional "Technik"

Online-Abonnement

Mit Springer Professional "Technik" erhalten Sie Zugriff auf:

  • über 67.000 Bücher
  • über 390 Zeitschriften

aus folgenden Fachgebieten:

  • Automobil + Motoren
  • Bauwesen + Immobilien
  • Business IT + Informatik
  • Elektrotechnik + Elektronik
  • Energie + Nachhaltigkeit
  • Maschinenbau + Werkstoffe




 

Jetzt Wissensvorsprung sichern!

Springer Professional "Wirtschaft"

Online-Abonnement

Mit Springer Professional "Wirtschaft" erhalten Sie Zugriff auf:

  • über 67.000 Bücher
  • über 340 Zeitschriften

aus folgenden Fachgebieten:

  • Bauwesen + Immobilien
  • Business IT + Informatik
  • Finance + Banking
  • Management + Führung
  • Marketing + Vertrieb
  • Versicherung + Risiko




Jetzt Wissensvorsprung sichern!

Literatur
1.
Zurück zum Zitat Alsentzer, E., Finlayson, S., Li, M., Zitnik, M.: Subgraph neural networks. In: NeurIPS, vol. 33, pp. 8017–8029 (2020) Alsentzer, E., Finlayson, S., Li, M., Zitnik, M.: Subgraph neural networks. In: NeurIPS, vol. 33, pp. 8017–8029 (2020)
2.
Zurück zum Zitat Bodnar, C., et al.: Weisfeiler and lehman go topological: message passing simplicial networks. In: ICML, pp. 1026–1037. PMLR (2021) Bodnar, C., et al.: Weisfeiler and lehman go topological: message passing simplicial networks. In: ICML, pp. 1026–1037. PMLR (2021)
3.
Zurück zum Zitat Bouritsas, G., Frasca, F., Zafeiriou, S., Bronstein, M.M.: Improving graph neural network expressivity via subgraph isomorphism counting. IEEE Trans. Pattern Anal. Mach. Intell. 45(1), 657–668 (2022)CrossRef Bouritsas, G., Frasca, F., Zafeiriou, S., Bronstein, M.M.: Improving graph neural network expressivity via subgraph isomorphism counting. IEEE Trans. Pattern Anal. Mach. Intell. 45(1), 657–668 (2022)CrossRef
5.
Zurück zum Zitat Chen, T., Guestrin, C.: XGBoost: a scalable tree boosting system. In: Proceedings of the 22nd ACM SIGKDD International Conference on Knowledge Discovery and Data Mining, pp. 785–794 (2016) Chen, T., Guestrin, C.: XGBoost: a scalable tree boosting system. In: Proceedings of the 22nd ACM SIGKDD International Conference on Knowledge Discovery and Data Mining, pp. 785–794 (2016)
6.
Zurück zum Zitat Cheng, H., Yan, X., Han, J.: Mining graph patterns. In: Frequent Pattern Mining, pp. 307–338 (2014) Cheng, H., Yan, X., Han, J.: Mining graph patterns. In: Frequent Pattern Mining, pp. 307–338 (2014)
7.
Zurück zum Zitat Cordella, L.P., Foggia, P., Sansone, C., Vento, M.: A (sub) graph isomorphism algorithm for matching large graphs. IEEE Trans. Pattern Anal. Mach. Intell. 26(10), 1367–1372 (2004)CrossRef Cordella, L.P., Foggia, P., Sansone, C., Vento, M.: A (sub) graph isomorphism algorithm for matching large graphs. IEEE Trans. Pattern Anal. Mach. Intell. 26(10), 1367–1372 (2004)CrossRef
8.
Zurück zum Zitat Gilmer, J., Schoenholz, S.S., Riley, P.F., Vinyals, O., Dahl, G.E.: Neural message passing for quantum chemistry. In: ICML, pp. 1263–1272. PMLR (2017) Gilmer, J., Schoenholz, S.S., Riley, P.F., Vinyals, O., Dahl, G.E.: Neural message passing for quantum chemistry. In: ICML, pp. 1263–1272. PMLR (2017)
9.
Zurück zum Zitat Huang, N.T., Villar, S.: A short tutorial on the Weisfeiler-Lehman test and its variants. In: ICASSP 2021-2021 IEEE International Conference on Acoustics, Speech and Signal Processing (ICASSP), pp. 8533–8537. IEEE (2021) Huang, N.T., Villar, S.: A short tutorial on the Weisfeiler-Lehman test and its variants. In: ICASSP 2021-2021 IEEE International Conference on Acoustics, Speech and Signal Processing (ICASSP), pp. 8533–8537. IEEE (2021)
11.
Zurück zum Zitat Jin, N., Young, C., Wang, W.: GAIA: graph classification using evolutionary computation. In: Proceedings of the 2010 ACM SIGMOD International Conference on Management of Data, pp. 879–890 (2010) Jin, N., Young, C., Wang, W.: GAIA: graph classification using evolutionary computation. In: Proceedings of the 2010 ACM SIGMOD International Conference on Management of Data, pp. 879–890 (2010)
12.
Zurück zum Zitat Ketkar, N.S., Holder, L.B., Cook, D.J.: Subdue: compression-based frequent pattern discovery in graph data. In: Proceedings of the 1st International Workshop on Open Source Data Mining: Frequent Pattern Mining Implementations, pp. 71–76 (2005) Ketkar, N.S., Holder, L.B., Cook, D.J.: Subdue: compression-based frequent pattern discovery in graph data. In: Proceedings of the 1st International Workshop on Open Source Data Mining: Frequent Pattern Mining Implementations, pp. 71–76 (2005)
13.
Zurück zum Zitat Kraskov, A., Stögbauer, H., Grassberger, P.: Estimating mutual information. Phys. Rev. E 69(6), 066138 (2004)MathSciNetCrossRef Kraskov, A., Stögbauer, H., Grassberger, P.: Estimating mutual information. Phys. Rev. E 69(6), 066138 (2004)MathSciNetCrossRef
14.
Zurück zum Zitat Leman, A., Weisfeiler, B.: A reduction of a graph to a canonical form and an algebra arising during this reduction. Nauchno-Technicheskaya Informatsiya 2(9), 12–16 (1968) Leman, A., Weisfeiler, B.: A reduction of a graph to a canonical form and an algebra arising during this reduction. Nauchno-Technicheskaya Informatsiya 2(9), 12–16 (1968)
15.
Zurück zum Zitat Liu, H., Setiono, R.: Chi2: feature selection and discretization of numeric attributes. In: Proceedings of 7th IEEE ICTAI, pp. 388–391. IEEE (1995) Liu, H., Setiono, R.: Chi2: feature selection and discretization of numeric attributes. In: Proceedings of 7th IEEE ICTAI, pp. 388–391. IEEE (1995)
16.
Zurück zum Zitat Maron, H., Ben-Hamu, H., Serviansky, H., Lipman, Y.: Provably powerful graph networks. In: NeurIPS, vol. 32 (2019) Maron, H., Ben-Hamu, H., Serviansky, H., Lipman, Y.: Provably powerful graph networks. In: NeurIPS, vol. 32 (2019)
18.
Zurück zum Zitat Meilicke, C., Chekol, M.W., Ruffinelli, D., Stuckenschmidt, H.: Anytime bottom-up rule learning for knowledge graph completion. In: IJCAI, pp. 3137–3143 (2019) Meilicke, C., Chekol, M.W., Ruffinelli, D., Stuckenschmidt, H.: Anytime bottom-up rule learning for knowledge graph completion. In: IJCAI, pp. 3137–3143 (2019)
19.
Zurück zum Zitat Morris, C., Kriege, N.M., Bause, F., Kersting, K., Mutzel, P., Neumann, M.: TUDataset: a collection of benchmark datasets for learning with graphs. arXiv preprint arXiv:2007.08663 (2020) Morris, C., Kriege, N.M., Bause, F., Kersting, K., Mutzel, P., Neumann, M.: TUDataset: a collection of benchmark datasets for learning with graphs. arXiv preprint arXiv:​2007.​08663 (2020)
20.
Zurück zum Zitat Morris, C., et al.: Weisfeiler and Leman go neural: higher-order graph neural networks. In: Proceedings of the AAAI Conference on Artificial Intelligence, vol. 33, pp. 4602–4609 (2019) Morris, C., et al.: Weisfeiler and Leman go neural: higher-order graph neural networks. In: Proceedings of the AAAI Conference on Artificial Intelligence, vol. 33, pp. 4602–4609 (2019)
22.
Zurück zum Zitat Nijssen, S., Kok, J.N.: The Gaston tool for frequent subgraph mining. Electron. Notes Theor. Comput. Sci. 127(1), 77–87 (2005)CrossRef Nijssen, S., Kok, J.N.: The Gaston tool for frequent subgraph mining. Electron. Notes Theor. Comput. Sci. 127(1), 77–87 (2005)CrossRef
23.
Zurück zum Zitat Ribeiro, P., Paredes, P., Silva, M.E., Aparicio, D., Silva, F.: A survey on subgraph counting: concepts, algorithms, and applications to network motifs and graphlets. ACM Comput. Surv. (CSUR) 54(2), 1–36 (2021)CrossRef Ribeiro, P., Paredes, P., Silva, M.E., Aparicio, D., Silva, F.: A survey on subgraph counting: concepts, algorithms, and applications to network motifs and graphlets. ACM Comput. Surv. (CSUR) 54(2), 1–36 (2021)CrossRef
24.
Zurück zum Zitat Saigo, H., Nowozin, S., Kadowaki, T., Kudo, T., Tsuda, K.: gBoost: a mathematical programming approach to graph classification and regression. Mach. Learn. 75, 69–89 (2009)CrossRef Saigo, H., Nowozin, S., Kadowaki, T., Kudo, T., Tsuda, K.: gBoost: a mathematical programming approach to graph classification and regression. Mach. Learn. 75, 69–89 (2009)CrossRef
25.
Zurück zum Zitat Scarselli, F., Gori, M., Tsoi, A.C., Hagenbuchner, M., Monfardini, G.: The graph neural network model. IEEE Trans. Neural Networks 20(1), 61–80 (2008)CrossRef Scarselli, F., Gori, M., Tsoi, A.C., Hagenbuchner, M., Monfardini, G.: The graph neural network model. IEEE Trans. Neural Networks 20(1), 61–80 (2008)CrossRef
26.
Zurück zum Zitat Sun, Q., et al.: SUGAR: subgraph neural network with reinforcement pooling and self-supervised mutual information mechanism. In: Proceedings of the Web Conference 2021, pp. 2081–2091 (2021) Sun, Q., et al.: SUGAR: subgraph neural network with reinforcement pooling and self-supervised mutual information mechanism. In: Proceedings of the Web Conference 2021, pp. 2081–2091 (2021)
27.
28.
Zurück zum Zitat Yan, X., Han, J.: gSpan: graph-based substructure pattern mining. In: 2002 IEEE International Conference on Data Mining, Proceedings, pp. 721–724. IEEE (2002) Yan, X., Han, J.: gSpan: graph-based substructure pattern mining. In: 2002 IEEE International Conference on Data Mining, Proceedings, pp. 721–724. IEEE (2002)
29.
Zurück zum Zitat Zeman, V., Kliegr, T., Svátek, V.: RDFRules: making RDF rule mining easier and even more efficient. Semant. Web 12(4), 569–602 (2021)CrossRef Zeman, V., Kliegr, T., Svátek, V.: RDFRules: making RDF rule mining easier and even more efficient. Semant. Web 12(4), 569–602 (2021)CrossRef
30.
Zurück zum Zitat Zhang, M., Li, P.: Nested graph neural networks. In: NeurIPS, vol. 34, pp. 15734–15747 (2021) Zhang, M., Li, P.: Nested graph neural networks. In: NeurIPS, vol. 34, pp. 15734–15747 (2021)
31.
Zurück zum Zitat Zhao, L., Jin, W., Akoglu, L., Shah, N.: From stars to subgraphs: uplifting any GNN with local structure awareness. arXiv preprint arXiv:2110.03753 (2021) Zhao, L., Jin, W., Akoglu, L., Shah, N.: From stars to subgraphs: uplifting any GNN with local structure awareness. arXiv preprint arXiv:​2110.​03753 (2021)
Metadaten
Titel
Subgraph Mining for Graph Neural Networks
verfasst von
Adem Kikaj
Giuseppe Marra
Luc De Raedt
Copyright-Jahr
2024
DOI
https://doi.org/10.1007/978-3-031-58547-0_12

Premium Partner