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A key requirement for graph neural networks is that they must process a graph in a way that does not depend on how the graph is described. Traditionally this has been taken to mean that a graph network must be equivariant to node permutations. Here we show that instead of equivariance, the more general concept of naturality is sufficient for a graph network to be well-defined, opening up a larger class of graph networks. We define global and local natural graph networks, the latter of which are as scalable as conventional message passing graph neural networks while being more flexible. We give one practical instantiation of a natural network on graphs which uses an equivariant message network parameterization, yielding good performance on several benchmarks.
Author Information
Pim de Haan (Qualcomm AI Research, University of Amsterdam)
Taco Cohen (Qualcomm AI Research)
Taco Cohen is a machine learning research scientist at Qualcomm AI Research in Amsterdam and a PhD student at the University of Amsterdam, supervised by prof. Max Welling. He was a co-founder of Scyfer, a company focussed on active deep learning, acquired by Qualcomm in 2017. He holds a BSc in theoretical computer science from Utrecht University and a MSc in artificial intelligence from the University of Amsterdam (both cum laude). His research is focussed on understanding and improving deep representation learning, in particular learning of equivariant and disentangled representations, data-efficient deep learning, learning on non-Euclidean domains, and applications of group representation theory and non-commutative harmonic analysis, as well as deep learning based source compression. He has done internships at Google Deepmind (working with Geoff Hinton) and OpenAI. He received the 2014 University of Amsterdam thesis prize, a Google PhD Fellowship, ICLR 2018 best paper award for “Spherical CNNs”, and was named one of 35 innovators under 35 in Europe by MIT in 2018.
Max Welling (University of Amsterdam / Qualcomm AI Research)
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