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Zhou, Yangze; Kutyniok, Gitta; Ribeiro, Bruno (, Advances in neural information processing systems)This work provides the first theoretical study on the ability of graph Message Passing Neural Networks (gMPNNs) -- such as Graph Neural Networks (GNNs) -- to perform inductive out-of-distribution (OOD) link prediction tasks, where deployment (test) graph sizes are larger than training graphs. We first prove non-asymptotic bounds showing that link predictors based on permutation-equivariant (structural) node embeddings obtained by gMPNNs can converge to a random guess as test graphs get larger. We then propose a theoretically-sound gMPNN that outputs structural pairwise (2-node) embeddings and prove non-asymptotic bounds showing that, as test graphs grow, these embeddings converge to embeddings of a continuous function that retains its ability to predict links OOD. Empirical results on random graphs show agreement with our theoretical results.more » « less
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Kolec, Stefan; Nguyen, Duc; Levie, Ron; Kutyniok, Gitta; Bruna, Joan (, European Conference on Computer Vision)
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Bruna, Joan; Haber, Eldad; Kutyniok, Gitta; Pock, Thomas; Vidal, René (, Journal of Mathematical Imaging and Vision)null (Ed.)
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