Abstract
Graph neural networks are increasingly becoming the framework of choice for graph-based machine learning. In this paper we propose a new graph neural network architecture based on the soft-alignment of the graph node features against sets of learned points. In each layer of the network the input node features are transformed by computing their similarity with respect to a set of learned features. The similarity information is then propagated to other nodes in the network, effectively creating a message passing-like mechanism where each node of the graph individually learns what is the optimal message to pass to its neighbours. We perform an ablation study to evaluate the performance of the network under different choices of its hyper-parameters. Finally, we test our model on standard graph-classification benchmarks and we find that it outperforms widely used alternative approaches, including both graph kernels and graph neural networks.
Access this chapter
Tax calculation will be finalised at checkout
Purchases are for personal use only
References
Atwood, J., Towsley, D.: Diffusion-convolutional neural networks. In: Advances in Neural Information Processing Systems, pp. 1993–2001 (2016)
Bai, L., Cui, L., Jiao, Y., Rossi, L., Hancock, E.: Learning backtrackless aligned-spatial graph convolutional networks for graph classification. IEEE Trans. Pattern Anal. Mach. Intell. 44, 783–798 (2020)
Bai, L., Hancock, E.R.: Graph kernels from the Jensen-Shannon divergence. J. Math. Imaging Vis. 47(1), 60–69 (2013)
Bai, L., Rossi, L., Torsello, A., Hancock, E.R.: A quantum Jensen-Shannon graph kernel for unattributed graphs. Pattern Recogn. 48(2), 344–355 (2015)
Borgwardt, K.M., Kriegel, H.P.: Shortest-path kernels on graphs. In: Fifth IEEE International Conference on Data Mining (ICDM 2005), pp. 8-pp. IEEE (2005)
Borgwardt, K.M., Ong, C.S., Schönauer, S., Vishwanathan, S., Smola, A.J., Kriegel, H.P.: Protein function prediction via graph kernels. Bioinformatics 21(suppl_1), i47–i56 (2005)
Chang, C.C., Lin, C.J.: LIBSVM: a library for support vector machines. ACM Trans. Intell. Syst.Ttechnol. 2(3), 1–27 (2011)
Cosmo, L., Kazi, A., Ahmadi, S.-A., Navab, N., Bronstein, M.: Latent-graph learning for disease prediction. In: Martel, A., et al. (eds.) MICCAI 2020. LNCS, vol. 12262, pp. 643–653. Springer, Cham (2020). https://doi.org/10.1007/978-3-030-59713-9_62
Cosmo, L., Minello, G., Bronstein, M., Rodolà, E., Rossi, L., Torsello, A.: Graph kernel neural networks. arXiv preprint arXiv:2112.07436 (2021)
Cosmo, L., Minello, G., Bronstein, M., Rodolà, E., Rossi, L., Torsello, A.: 3D shape analysis through a quantum lens: the average mixing kernel signature. Int. J. Comput. Vis. 130, 1–20 (2022)
Cosmo, L., Minello, G., Bronstein, M., Rossi, L., Torsello, A.: The average mixing kernel signature. In: Vedaldi, A., Bischof, H., Brox, T., Frahm, J.-M. (eds.) ECCV 2020. LNCS, vol. 12365, pp. 1–17. Springer, Cham (2020). https://doi.org/10.1007/978-3-030-58565-5_1
Di, X., Yu, P., Bu, R., Sun, M.: Mutual information maximization in graph neural networks. In: 2020 International Joint Conference on Neural Networks (IJCNN), pp. 1–7. IEEE (2020)
Dwivedi, V.P., Joshi, C.K., Laurent, T., Bengio, Y., Bresson, X.: Benchmarking graph neural networks. arXiv preprint arXiv:2003.00982 (2020)
Eliasof, M., Haber, E., Treister, E.: PDE-GCN: novel architectures for graph neural networks motivated by partial differential equations. In: 34th Proceedings of the Conference on Advances in Neural Information Processing Systems (2021)
Errica, F., Podda, M., Bacciu, D., Micheli, A.: A fair comparison of graph neural networks for graph classification. In: Proceedings of the 8th International Conference on Learning Representations (ICLR) (2020)
Feng, A., You, C., Wang, S., Tassiulas, L.: KerGNNs : interpretable graph neural networks with graph kernels. arXiv preprint arXiv:2201.00491 (2022)
Gilmer, J., Schoenholz, S.S., Riley, P.F., Vinyals, O., Dahl, G.E.: Neural message passing for quantum chemistry. In: International Conference on Machine Learning, pp. 1263–1272. PMLR (2017)
Hamilton, W., Ying, Z., Leskovec, J.: Inductive representation learning on large graphs. In: 30th Proceedings of Conference on Advances in Neural Information Processing Systems (2017)
Irwin, J.J., Sterling, T., Mysinger, M.M., Bolstad, E.S., Coleman, R.G.: Zinc: a free tool to discover chemistry for biology. J. Chem. Inf. Model. 52(7), 1757–1768 (2012)
Kazi, A., Cosmo, L., Ahmadi, S.A., Navab, N., Bronstein, M.: Differentiable graph module (DGM) for graph convolutional networks. IEEE Trans. Pattern Anal. Mach. Intell. Early Access (2022)
Kersting, K., Kriege, N.M., Morris, C., Mutzel, P., Neumann, M.: Benchmark data sets for graph kernels (2016). https://ls11-www.cs.tu-dortmund.de/staff/morris/graphkerneldatasets
Kipf, T.N., Welling, M.: Semi-supervised classification with graph convolutional networks. In: Proceedings of the 5th International Conference on Learning Representations. ICLR 2017 (2017)
Kriege, N., Mutzel, P.: Subgraph matching kernels for attributed graphs. arXiv preprint arXiv:1206.6483 (2012)
Lima, A., Rossi, L., Musolesi, M.: Coding together at scale: Github as a collaborative social network. In: Eighth International AAAI Conference on Weblogs and Social Media (2014)
Luzhnica, E., Day, B., Liò, P.: On graph classification networks, datasets and baselines. arXiv preprint arXiv:1905.04682 (2019)
Minello, G., Rossi, L., Torsello, A.: Can a quantum walk tell which is which? a study of quantum walk-based graph similarity. Entropy 21(3), 328 (2019)
Morris, C., et al.: Weisfeiler and leman go neural: Higher-order graph neural networks. In: Proceedings of the AAAI Conference on Artificial Intelligence, pp. 4602–4609 (2019)
Nikolentzos, G., Vazirgiannis, M.: Random walk graph neural networks. Adv. Neural. Inf. Process. Syst. 33, 16211–16222 (2020)
Ralaivola, L., Swamidass, S.J., Saigo, H., Baldi, P.: Graph kernels for chemical informatics. Neural Netw. 18(8), 1093–1110 (2005)
Rossi, L., Torsello, A., Hancock, E.R.: Measuring graph similarity through continuous-time quantum walks and the quantum Jensen-Shannon divergence. Phys. Rev. E 91(2), 022815 (2015)
Scarselli, F., Gori, M., Tsoi, A.C., Hagenbuchner, M., Monfardini, G.: The graph neural network model. IEEE Trans. Neural Netw. 20(1), 61–80 (2008)
Shervashidze, N., Schweitzer, P., Van Leeuwen, E.J., Mehlhorn, K., Borgwardt, K.M.: Weisfeiler-Lehman graph kernels. J. Mach. Learn. Res. 12(9) (2011)
Shervashidze, N., Vishwanathan, S., Petri, T., Mehlhorn, K., Borgwardt, K.: Efficient graphlet kernels for large graph comparison. In: Proceedings of the 12th International Conference on Artificial Intelligence and Statistics, pp. 488–495. PMLR (2009)
Simonovsky, M., Komodakis, N.: Dynamic edge-conditioned filters in convolutional neural networks on graphs. In: Proceedings of the IEEE Conference on Computer Vision and Pattern Recognition, pp. 3693–3702 (2017)
Veličković, P., Cucurull, G., Casanova, A., Romero, A., Liò, P., Bengio, Y.: Graph attention networks .In: International Conference on Learning Representations (2018)
Wu, Z., Pan, S., Chen, F., Long, G., Zhang, C., Philip, S.Y.: A comprehensive survey on graph neural networks. IEEE Trans. Neural Netw. Learn. Syst. 32(1), 4–24 (2020)
Xu, K., Hu, W., Leskovec, J., Jegelka, S.: How powerful are graph neural networks? arXiv preprint arXiv:1810.00826 (2018)
Ying, R., You, J., Morris, C., Ren, X., Hamilton, W.L., Leskovec, J.: Hierarchical graph representation learning with differentiable pooling. arXiv preprint arXiv:1806.08804 (2018)
Zhang, M., Cui, Z., Neumann, M., Chen, Y.: An end-to-end deep learning architecture for graph classification. In: Thirty-Second AAAI Conference on Artificial Intelligence (2018)
Author information
Authors and Affiliations
Corresponding author
Editor information
Editors and Affiliations
Rights and permissions
Copyright information
© 2022 The Author(s), under exclusive license to Springer Nature Switzerland AG
About this paper
Cite this paper
Bicciato, A., Cosmo, L., Minello, G., Rossi, L., Torsello, A. (2022). Classifying Me Softly: A Novel Graph Neural Network Based on Features Soft-Alignment. In: Krzyzak, A., Suen, C.Y., Torsello, A., Nobile, N. (eds) Structural, Syntactic, and Statistical Pattern Recognition. S+SSPR 2022. Lecture Notes in Computer Science, vol 13813. Springer, Cham. https://doi.org/10.1007/978-3-031-23028-8_5
Download citation
DOI: https://doi.org/10.1007/978-3-031-23028-8_5
Published:
Publisher Name: Springer, Cham
Print ISBN: 978-3-031-23027-1
Online ISBN: 978-3-031-23028-8
eBook Packages: Computer ScienceComputer Science (R0)