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We propose an approach to learning with graph-structured data in the problem domain of graph classification.
A general neural network architecture for persistence diagrams and graph classification
Carrière, M., Chazal, F., Ike, Y., Lacombe, T., Royer, M., and Umeda, Y · 1904
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A reduction of a graph to a canonical form and an algebra arising during this reduction
Weisfeiler, B. and Lehman, A. A · 1968
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Topological persistence and simplification
Edelsbrunner, H., Letcher, D., and Zomorodian, A · 2002
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Algebraic Topology
Hatcher, A · 2002
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The graph neural network model
Scarselli, F., Gori, M., Tsoi, A., hagenbuchner, M., and Monfardini, G · 2009
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Efficient graphlet kernels for large graph comparison
Shervashidze, N., Vishwanathan, S., Petri, T., Mehlhorn, K., and Borgwardt, K · 2009
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Computational Topology : An Introduction
Edelsbrunner, H. and Harer, J. L · 2010
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Zigzag persistent homology in matrix multiplication time
Milosavljević, N., Morozov, D., and Skraba, P · 2011
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Weisfeiler-lehmann graph kernels
Shervashidze, N., Schweitzer, P., van Leeuwen, E., Mehlhorn, K., and Borgwardt, K · 2011
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Scalable kernels for graphs with continuous attributes
Feragen, A., Kasenburg, N., Petersen, J., Bruijne, M., and Borgwardt, K · 2013
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Networks and cycles: A persistent homology approach to complex networks
Petri, G., Scolamiero, M., Donato, I., and Vaccarino, F · 2013
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Clear and compress: Computing persistent homology in chunks
Bauer, U., Kerber, M., and Reininghaus, J · 2014
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Convolutional networks on graphs for learning molecular fingerprints
Duvenaud, D., Maclaurin, D., Iparraguirre, J., Bombarell, R., Hirzel, T., Aspuru-Guzik, A., and Adams, R · 2015
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Molecular graph convolutions: Moving beyond fingerprints
Kearns, S., McCloskey, K., Berndl, M., Pande, V., and Riley, P · 2016
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On valid optimal assignment kernels and applications to graph classification
Kriege, N., Giscard, P.-L., and Wilson, R · 2016
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SchNet: A continuous-filter convolutional neural network for modeling quantum interactions
Schütt, K., Kindermans, P. J., Sauceda, H. E., Chmiela, S., Tkatchenko, A., and Müller., K. R · 2017
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Deep sets
Zaheer, M., Kottur, S., Ravanbakhsh, S., Poczos, B., Salakhutdinov, R., and Smola, A. J · 2017
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Dynamic graph cnn for learning on point clouds
Wang, Y., Sun, Y., Liu, Z., Sarma, S., Bronstein, M., and Solomon, J · 2018
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Representation learning on graphs with jumping knowledge networks
Xu, K., Li, C., Tian, Y., Sonobe, T., Kawarabayashi, K., and Jegelka, S · 2018
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Hierarchical graph representation learning with differentiable pooling
Ying, R., You, J., Morris, C., Ren, X., Hamilton, W., and Leskovec, J · 2018
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Learning convolutional neural networks for graphs
Niepert, M., Ahmed, M., and Kutzkov, K · 2016
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PHAT: Persistent homology algorithms toolbox
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Neural message passing for quantum chemistry
Gilmer, J., Schoenholz, S., Riley, P., Vinyals, O., and Dahl, G · 2017
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Inductive representation learning on large graphs
Hamilton, W., Ying, R., and Leskovec, J · 2017
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Connectivity-optimized representation learning via persistent homology
Hofer, C., Kwitt, R., , Dixit, M., and Niethammer, M
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Chen, C., Ni, X., Bai, Q., and Wang, Y · 2019
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Weisfeiler and Leman go neural: Higher-order graph neural networks
Morris, C., Ritzert, M., Fey, M., and Hamilton, W · 2019
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How powerful are graph neural networks?
Xu, K., Hu, W., Leskovec, J., and Jegelka, S · 2019
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Learning metrics for persistence-based summaries and applications for graph classification
Zhao, Q. and Wang, Y · 2019
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A comprehensive survey on graph neural networks
Wu, Z., Pan, S., Chen, F., Long, G., Zhang, C., and Yu, P · 2020
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