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Graph Machine Learning

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Publié6 août06/08/2020 09:00
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Probabilistic Learning on Graphs via Contextual Architectures This is a guest post by Federico Errica ([email protected]) about their new JMLR work called “Probabilistic Learning on Graphs via Contextual Architectures”. Intro/TL;DR: We propose a probabilistic methodology for representation learning on graph-structured data, in which a stack of Bayesian networks learns different distributions of a vertex’s neighbourhood. The main characteristics of our approach are (i) unsupervised, as it models the generation of node attributes; (ii) layer-wise training: (iii) incremental construction policy; (iv) maximum likelihood estimation with Expectation-Maximization. The model, called Contextual Graph Markov Model (CGMM), can be regarded as a probabilistic version of Deep Graph Networks (DGNs). Each layer of the model implements a probabilistic version of neighbourhood aggregation. The hidden representation of each node is modelled as a categorical distribution. When aggregating neighbours, the incoming messages are the *frozen* posterior probabilities computed when training the previous layers. When discrete edge types are available, we can weight the contribution of nodes in different ways using the Switching Parent approximation. Moreover, each neighbour aggregation can be conditioned on an arbitrary subset of the previous layers. By design, this incremental construction policy avoids the exploding/vanishing gradient effect. As a result, each layer exploits different sets of statistics when trying to maximize the likelihood of the nodes in each graph. We test the model on node and graph classification tasks. First, we generate unsupervised node/graph representations; then, we apply a standard ML classifier to output the right class. In turn, this leads to a critical analysis of some benchmarks used in the literature. Finally, we show that the performances of the model increase as we add more layers (up to 20). Paper: http://www.jmlr.org/papers/v21/19-470.html Code: https://github.com/diningphil/CGMM Related reads: (i) https://doi.org/10.1016/j.neunet.2020.06.006 (ii) http://proceedings.mlr.press/v80/bacciu18a.html