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Machine Learning on Graphs: A Model and Comprehensive Taxonomy

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TLDR
A comprehensive taxonomy of representation learning methods for graph-structured data is proposed, aiming to unify several disparate bodies of work and provide a solid foundation for understanding the intuition behind these methods, and enables future research in the area.
Abstract
There has been a surge of recent interest in learning representations for graph-structured data. Graph representation learning methods have generally fallen into three main categories, based on the availability of labeled data. The first, network embedding (such as shallow graph embedding or graph auto-encoders), focuses on learning unsupervised representations of relational structure. The second, graph regularized neural networks, leverages graphs to augment neural network losses with a regularization objective for semi-supervised learning. The third, graph neural networks, aims to learn differentiable functions over discrete topologies with arbitrary structure. However, despite the popularity of these areas there has been surprisingly little work on unifying the three paradigms. Here, we aim to bridge the gap between graph neural networks, network embedding and graph regularization models. We propose a comprehensive taxonomy of representation learning methods for graph-structured data, aiming to unify several disparate bodies of work. Specifically, we propose a Graph Encoder Decoder Model (GRAPHEDM), which generalizes popular algorithms for semi-supervised learning on graphs (e.g. GraphSage, Graph Convolutional Networks, Graph Attention Networks), and unsupervised learning of graph representations (e.g. DeepWalk, node2vec, etc) into a single consistent approach. To illustrate the generality of this approach, we fit over thirty existing methods into this framework. We believe that this unifying view both provides a solid foundation for understanding the intuition behind these methods, and enables future research in the area.

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References
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Proceedings ArticleDOI

Structural Deep Network Embedding

TL;DR: This paper proposes a Structural Deep Network Embedding method, namely SDNE, which first proposes a semi-supervised deep model, which has multiple layers of non-linear functions, thereby being able to capture the highly non- linear network structure and exploits the first-order and second-order proximity jointly to preserve the network structure.
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Neural Message Passing for Quantum Chemistry

TL;DR: Using MPNNs, state of the art results on an important molecular property prediction benchmark are demonstrated and it is believed future work should focus on datasets with larger molecules or more accurate ground truth labels.
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Variational Graph Auto-Encoders

TL;DR: The variational graph auto-encoder (VGAE) is introduced, a framework for unsupervised learning on graph-structured data based on the variational auto- Encoder (VAE) that can naturally incorporate node features, which significantly improves predictive performance on a number of benchmark datasets.
Proceedings Article

How Powerful are Graph Neural Networks

TL;DR: In this paper, the expressive power of GNNs to capture different graph structures is analyzed and a simple architecture for graph representation learning is proposed. But the results characterize the discriminative power of popular GNN variants and show that they cannot learn to distinguish certain simple graph structures.
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