Pathfinder Discovery Networks for Neural Message Passing

In this work we propose Pathfinder Discovery Networks (PDNs), a method for jointly learning a message passing graph over a multiplex network with a downstream semi-supervised model. PDNs inductively learn an aggregated weight for each edge, optimized to produce the best outcome for the downstream learning task. PDNs are a generalization of attention mechanisms on graphs which allow flexible construction of similarity functions between nodes, edge convolutions, and cheap multiscale mixing layers. We show that PDNs overcome weaknesses of existing methods for graph attention (e.g. Graph Attention Networks), such as the diminishing weight problem. Our experimental results demonstrate competitive predictive performance on academic node classification tasks. Additional results from a challenging suite of node classification experiments show how PDNs can learn a wider class of functions than existing baselines. We analyze the relative computational complexity of PDNs, and show that PDN runtime is not considerably higher than static-graph models. Finally, we discuss how PDNs can be used to construct an easily interpretable attention mechanism that allows users to understand information propagation in the graph.

InstantEmbedding: Efficient Local Node Representations

In this paper, we introduce InstantEmbedding, an efficient method for generating single-node representations using local PageRank computations. We theoretically prove that our approach produces globally consistent representations in sublinear time. We demonstrate this empirically by conducting extensive experiments on real-world datasets with over a billion edges. Our experiments confirm that InstantEmbedding requires drastically less computation time (over 9,000 times faster) and less memory (by over 8,000 times) to produce a single node's embedding than traditional methods including DeepWalk, node2vec, VERSE, and FastRP. We also show that our method produces high quality representations, demonstrating results that meet or exceed the state of the art for unsupervised representation learning on tasks like node classification and link prediction.

Grale: Designing Networks for Graph Learning

How can we find the right graph for semi-supervised learning? In real world applications, the choice of which edges to use for computation is the first step in any graph learning process. Interestingly, there are often many types of similarity available to choose as the edges between nodes, and the choice of edges can drastically affect the performance of downstream semi-supervised learning systems. However, despite the importance of graph design, most of the literature assumes that the graph is static. In this work, we present Grale, a scalable method we have developed to address the problem of graph design for graphs with billions of nodes. Grale operates by fusing together different measures of(potentially weak) similarity to create a graph which exhibits high task-specific homophily between its nodes. Grale is designed for running on large datasets. We have deployed Grale in more than 20 different industrial settings at Google, including datasets which have tens of billions of nodes, and hundreds of trillions of potential edges to score. By employing locality sensitive hashing techniques,we greatly reduce the number of pairs that need to be scored, allowing us to learn a task specific model and build the associated nearest neighbor graph for such datasets in hours, rather than the days or even weeks that might be required otherwise. We illustrate this through a case study where we examine the application of Grale to an abuse classification problem on YouTube with hundreds of million of items. In this application, we find that Grale detects a large number of malicious actors on top of hard-coded rules and content classifiers, increasing the total recall by 89% over those approaches alone.

Examining COVID-19 Forecasting using Spatio-Temporal Graph Neural Networks

In this work, we examine a novel forecasting approach for COVID-19 case prediction that uses Graph Neural Networks and mobility data. In contrast to existing time series forecasting models, the proposed approach learns from a single large-scale spatio-temporal graph, where nodes represent the region-level human mobility, spatial edges represent the human mobility based inter-region connectivity, and temporal edges represent node features through time. We evaluate this approach on the US county level COVID-19 dataset, and demonstrate that the rich spatial and temporal information leveraged by the graph neural network allows the model to learn complex dynamics. We show a 6% reduction of RMSLE and an absolute Pearson Correlation improvement from 0.9978 to 0.998 compared to the best performing baseline models. This novel source of information combined with graph based deep learning approaches can be a powerful tool to understand the spread and evolution of COVID-19. We encourage others to further develop a novel modeling paradigm for infectious disease based on GNNs and high resolution mobility data.

Scaling Graph Neural Networks with Approximate PageRank

Graph neural networks (GNNs) have emerged as a powerful approach for solving many network mining tasks. However, learning on large graphs remains a challenge - many recently proposed scalable GNN approaches rely on an expensive message-passing procedure to propagate information through the graph. We present the PPRGo model which utilizes an efficient approximation of information diffusion in GNNs resulting in significant speed gains while maintaining state-of-the-art prediction performance. In addition to being faster, PPRGo is inherently scalable, and can be trivially parallelized for large datasets like those found in industry settings. We demonstrate that PPRGo outperforms baselines in both distributed and single-machine training environments on a number of commonly used academic graphs. To better analyze the scalability of large-scale graph learning methods, we introduce a novel benchmark graph with 12.4 million nodes, 173 million edges, and 2.8 million node features. We show that training PPRGo from scratch and predicting labels for all nodes in this graph takes under 2 minutes on a single machine, far outpacing other baselines on the same graph. We discuss the practical application of PPRGo to solve large-scale node classification problems at Google.

Graph Clustering with Graph Neural Networks

Graph Neural Networks (GNNs) have achieved state-of-the-art results on many graph analysis tasks such as node classification and link prediction. However, important unsupervised problems on graphs, such as graph clustering, have proved more resistant to advances in GNNs. In this paper, we study unsupervised training of GNN pooling in terms of their clustering capabilities. We start by drawing a connection between graph clustering and graph pooling: intuitively, a good graph clustering is what one would expect from a GNN pooling layer. Counterintuitively, we show that this is not true for state-of-the-art pooling methods, such as MinCut pooling. To address these deficiencies, we introduce Deep Modularity Networks (DMoN), an unsupervised pooling method inspired by the modularity measure of clustering quality, and show how it tackles recovery of the challenging clustering structure of real-world graphs. In order to clarify the regimes where existing methods fail, we carefully design a set of experiments on synthetic data which show that DMoN is able to jointly leverage the signal from the graph structure and node attributes. Similarly, on real-world data, we show that DMoN produces high quality clusters which correlate strongly with ground truth labels, achieving state-of-the-art results.

Machine Learning on Graphs: A Model and Comprehensive Taxonomy

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.

Just SLaQ When You Approximate: Accurate Spectral Distances for Web-Scale Graphs

Graph comparison is a fundamental operation in data mining and information retrieval. Due to the combinatorial nature of graphs, it is hard to balance the expressiveness of the similarity measure and its scalability. Spectral analysis provides quintessential tools for studying the multi-scale structure of graphs and is a well-suited foundation for reasoning about differences between graphs. However, computing full spectrum of large graphs is computationally prohibitive; thus, spectral graph comparison methods often rely on rough approximation techniques with weak error guarantees. In this work, we propose SLaQ, an efficient and effective approximation technique for computing spectral distances between graphs with billions of nodes and edges. We derive the corresponding error bounds and demonstrate that accurate computation is possible in time linear in the number of graph edges. In a thorough experimental evaluation, we show that SLaQ outperforms existing methods, oftentimes by several orders of magnitude in approximation accuracy, and maintains comparable performance, allowing to compare million-scale graphs in a matter of minutes on a single machine.

MONET: Debiasing Graph Embeddings via the Metadata-Orthogonal Training Unit

Are Graph Neural Networks (GNNs) fair? In many real world graphs, the formation of edges is related to certain node attributes (e.g. gender, community, reputation). In this case, standard GNNs using these edges will be biased by this information, as it is encoded in the structure of the adjacency matrix itself. In this paper, we show that when metadata is correlated with the formation of node neighborhoods, unsupervised node embedding dimensions learn this metadata. This bias implies an inability to control for important covariates in real-world applications, such as recommendation systems. To solve these issues, we introduce the Metadata-Orthogonal Node Embedding Training (MONET) unit, a general model for debiasing embeddings of nodes in a graph. MONET achieves this by ensuring that the node embeddings are trained on a hyperplane orthogonal to that of the node metadata. This effectively organizes unstructured embedding dimensions into an interpretable topology-only, metadata-only division with no linear interactions. We illustrate the effectiveness of MONET though our experiments on a variety of real world graphs, which shows that our method can learn and remove the effect of arbitrary covariates in tasks such as preventing the leakage of political party affiliation in a blog network, and thwarting the gaming of embedding-based recommendation systems.

MixHop: Higher-Order Graph Convolutional Architectures via Sparsified Neighborhood Mixing

Existing popular methods for semi-supervised learning with Graph Neural Networks (such as the Graph Convolutional Network) provably cannot learn a general class of neighborhood mixing relationships. To address this weakness, we propose a new model, MixHop, that can learn these relationships, including difference operators, by repeatedly mixing feature representations of neighbors at various distances. Mixhop requires no additional memory or computational complexity, and outperforms on challenging baselines. In addition, we propose sparsity regularization that allows us to visualize how the network prioritizes neighborhood information across different graph datasets. Our analysis of the learned architectures reveals that neighborhood mixing varies per datasets.