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Register a new userDDGK: Learning Graph Representations for Deep Divergence Graph Kernels
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Added by
Rami Al-Rfou
Publication date
2019
fields
Informatics Engineering
and research's language is
English
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Can neural networks learn to compare graphs without feature engineering? In this paper, we show that it is possible to learn representations for graph similarity with neither domain knowledge nor supervision (i.e. feature engineering or labeled graphs). We propose Deep Divergence Graph Kernels, an unsupervised method for learning representations over graphs that encodes a relaxed notion of graph isomorphism. Our method consists of three parts. First, we learn an encoder for each anchor graph to capture its structure. Second, for each pair of graphs, we train a cross-graph attention network which uses the node representations of an anchor graph to reconstruct another graph. This approach, which we call isomorphism attention, captures how well the representations of one graph can encode another. We use the attention-augmented encoders predictions to define a divergence score for each pair of graphs. Finally, we construct an embedding space for all graphs using these pair-wise divergence scores. Unlike previous work, much of which relies on 1) supervision, 2) domain specific knowledge (e.g. a reliance on Weisfeiler-Lehman kernels), and 3) known node alignment, our unsupervised method jointly learns node representations, graph representations, and an attention-based alignment between graphs. Our experimental results show that Deep Divergence Graph Kernels can learn an unsupervised alignment between graphs, and that the learned representations achieve competitive results when used as features on a number of challenging graph classification tasks. Furthermore, we illustrate how the learned attention allows insight into the the alignment of sub-structures across graphs.
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Graph Neural Networks (GNNs) are widely used for analyzing graph-structured data. Most GNN methods are highly sensitive to the quality of graph structures and usually require a perfect graph structure for learning informative embeddings. However, the pervasiveness of noise in graphs necessitates learning robust representations for real-world problems. To improve the robustness of GNN models, many studies have been proposed around the central concept of Graph Structure Learning (GSL), which aims to jointly learn an optimized graph structure and corresponding representations. Towards this end, in the presented survey, we broadly review recent progress of GSL methods for learning robust representations. Specifically, we first formulate a general paradigm of GSL, and then review state-of-the-art methods classified by how they model graph structures, followed by applications that incorporate the idea of GSL in other graph tasks. Finally, we point out some issues in current studies and discuss future directions.
The recent GRAPH-BERT model introduces a new approach to learning graph representations merely based on the attention mechanism. GRAPH-BERT provides an opportunity for transferring pre-trained models and learned graph representations across different tasks within the same graph dataset. In this paper, we will further investigate the graph-to-graph transfer of a universal GRAPH-BERT for graph representation learning across different graph datasets, and our proposed model is also referred to as the G5 for simplicity. Many challenges exist in learning G5 to adapt the distinct input and output configurations for each graph data source, as well as the information distributions differences. G5 introduces a pluggable model architecture: (a) each data source will be pre-processed with a unique input representation learning component; (b) each output application task will also have a specific functional component; and (c) all such diverse input and output components will all be conjuncted with a universal GRAPH-BERT core component via an input size unification layer and an output representation fusion layer, respectively. The G5 model removes the last obstacle for cross-graph representation learning and transfer. For the graph sources with very sparse training data, the G5 model pre-trained on other graphs can still be utilized for representation learning with necessary fine-tuning. Whats more, the architecture of G5 also allows us to learn a supervised functional classifier for data sources without any training data at all. Such a problem is also named as the Apocalypse Learning task in this paper. Two different label reasoning strategies, i.e., Cross-Source Classification Consistency Maximization (CCCM) and Cross-Source Dynamic Routing (CDR), are introduced in this paper to address the problem.
Modeling inter-dependencies between time-series is the key to achieve high performance in anomaly detection for multivariate time-series data. The de-facto solution to model the dependencies is to feed the data into a recurrent neural network (RNN). However, the fully connected network structure underneath the RNN (either GRU or LSTM) assumes a static and complete dependency graph between time-series, which may not hold in many real-world applications. To alleviate this assumption, we propose a dynamic bipartite graph structure to encode the inter-dependencies between time-series. More concretely, we model time series as one type of nodes, and the time series segments (regarded as event) as another type of nodes, where the edge between two types of nodes describe a temporal pattern occurred on a specific time series at a certain time. Based on this design, relations between time series can be explicitly modelled via dynamic connections to event nodes, and the multivariate time-series anomaly detection problem can be formulated as a self-supervised, edge stream prediction problem in dynamic graphs. We conducted extensive experiments to demonstrate the effectiveness of the design.
While the celebrated graph neural networks yield effective representations for individual nodes of a graph, there has been relatively less success in extending to the task of graph similarity learning. Recent work on graph similarity learning has considered either global-level graph-graph interactions or low-level node-node interactions, however ignoring the rich cross-level interactions (e.g., between each node of one graph and the other whole graph). In this paper, we propose a multi-level graph matching network (MGMN) framework for computing the graph similarity between any pair of graph-structured objects in an end-to-end fashion. In particular, the proposed MGMN consists of a node-graph matching network for effectively learning cross-level interactions between each node of one graph and the other whole graph, and a siamese graph neural network to learn global-level interactions between two input graphs. Furthermore, to compensate for the lack of standard benchmark datasets, we have created and collected a set of datasets for both the graph-graph classification and graph-graph regression tasks with different sizes in order to evaluate the effectiveness and robustness of our models. Comprehensive experiments demonstrate that MGMN consistently outperforms state-of-the-art baseline models on both the graph-graph classification and graph-graph regression tasks. Compared with previous work, MGMN also exhibits stronger robustness as the sizes of the two input graphs increase.
We show that the classification performance of graph convolutional networks (GCNs) is related to the alignment between features, graph, and ground truth, which we quantify using a subspace alignment measure (SAM) corresponding to the Frobenius norm of the matrix of pairwise chordal distances between three subspaces associated with features, graph, and ground truth. The proposed measure is based on the principal angles between subspaces and has both spectral and geometrical interpretations. We showcase the relationship between the SAM and the classification performance through the study of limiting cases of GCNs and systematic randomizations of both features and graph structure applied to a constructive example and several examples of citation networks of different origins. The analysis also reveals the relative importance of the graph and features for classification purposes.
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