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Taxonomy of Benchmarks in Graph Representation Learning

15 June 2022
Renming Liu
Semih Cantürk
Frederik Wenkel
Sarah McGuire
Devin Kreuzer
A. Little
Leslie O’Bray
Michael Perlmutter
Bastian Alexander Rieck
M. Hirn
Guy Wolf
Ladislav Rampášek
    OOD
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Abstract

Graph Neural Networks (GNNs) extend the success of neural networks to graph-structured data by accounting for their intrinsic geometry. While extensive research has been done on developing GNN models with superior performance according to a collection of graph representation learning benchmarks, it is currently not well understood what aspects of a given model are probed by them. For example, to what extent do they test the ability of a model to leverage graph structure vs. node features? Here, we develop a principled approach to taxonomize benchmarking datasets according to a sensitivity profile\textit{sensitivity profile}sensitivity profile that is based on how much GNN performance changes due to a collection of graph perturbations. Our data-driven analysis provides a deeper understanding of which benchmarking data characteristics are leveraged by GNNs. Consequently, our taxonomy can aid in selection and development of adequate graph benchmarks, and better informed evaluation of future GNN methods. Finally, our approach and implementation in GTaxoGym\texttt{GTaxoGym}GTaxoGym package are extendable to multiple graph prediction task types and future datasets.

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