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Graph summarization is beneficial in a wide range of applications, such as visualization, interactive and exploratory analysis, approximate query processing, reducing the on-disk storage footprint, and graph processing in modern hardware. However, the bulk of the literature on graph summarization surprisingly overlooks the possibility of having edges of different types. In this paper, we study the novel problem of producing summaries of multi-relation networks, i.e., graphs where multiple edges of different types may exist between any pair of nodes. Multi-relation graphs are an expressive model of real-world activities, in which a relation can be a topic in social networks, an interaction type in genetic networks, or a snapshot in temporal graphs. The first approach that we consider for multi-relation graph summarization is a two-step method based on summarizing each relation in isolation, and then aggregating the resulting summaries in some clever way to produce a final unique summary. In doing this, as a side contribution, we provide the first polynomial-time approximation algorithm based on the k-Median clustering for the classic problem of lossless single-relation graph summarization. Then, we demonstrate the shortcomings of these two-step methods, and propose holistic approaches, both approximate and heuristic algorithms, to compute a summary directly for multi-relation graphs. In particular, we prove that the approximation bound of k-Median clustering for the single relation solution can be maintained in a multi-relation graph with proper aggregation operation over adjacency matrices corresponding to its multiple relations. Experimental results and case studies (on co-authorship networks and brain networks) validate the effectiveness and efficiency of the proposed algorithms.

Learning a graph topology to reveal the underlying relationship between data entities plays an important role in various machine learning and data analysis tasks. Under the assumption that structured data vary smoothly over a graph, the problem can be formulated as a regularised convex optimisation over a positive semidefinite cone and solved by iterative algorithms. Classic methods require an explicit convex function to reflect generic topological priors, e.g. the $\ell_1$ penalty for enforcing sparsity, which limits the flexibility and expressiveness in learning rich topological structures. We propose to learn a mapping from node data to the graph structure based on the idea of learning to optimise (L2O). Specifically, our model first unrolls an iterative primal-dual splitting algorithm into a neural network. The key structural proximal projection is replaced with a variational autoencoder that refines the estimated graph with enhanced topological properties. The model is trained in an end-to-end fashion with pairs of node data and graph samples. Experiments on both synthetic and real-world data demonstrate that our model is more efficient than classic iterative algorithms in learning a graph with specific topological properties.

Unsupervised (or self-supervised) graph representation learning is essential to facilitate various graph data mining tasks when external supervision is unavailable. The challenge is to encode the information about the graph structure and the attributes associated with the nodes and edges into a low dimensional space. Most existing unsupervised methods promote similar representations across nodes that are topologically close. Recently, it was shown that leveraging additional graph-level information, e.g., information that is shared among all nodes, encourages the representations to be mindful of the global properties of the graph, which greatly improves their quality. However, in most graphs, there is significantly more structure that can be captured, e.g., nodes tend to belong to (multiple) clusters that represent structurally similar nodes. Motivated by this observation, we propose a graph representation learning method called Graph InfoClust (GIC), that seeks to additionally capture cluster-level information content. These clusters are computed by a differentiable K-means method and are jointly optimized by maximizing the mutual information between nodes of the same clusters. This optimization leads the node representations to capture richer information and nodal interactions, which improves their quality. Experiments show that GIC outperforms state-of-art methods in various downstream tasks (node classification, link prediction, and node clustering) with a 0.9% to 6.1% gain over the best competing approach, on average.

We present a hierarchical neural message passing architecture for learning on molecular graphs. Our model takes in two complementary graph representations: the raw molecular graph representation and its associated junction tree, where nodes represent meaningful clusters in the original graph, e.g., rings or bridged compounds. We then proceed to learn a molecule's representation by passing messages inside each graph, and exchange messages between the two representations using a coarse-to-fine and fine-to-coarse information flow. Our method is able to overcome some of the restrictions known from classical GNNs, like detecting cycles, while still being very efficient to train. We validate its performance on the ZINC dataset and datasets stemming from the MoleculeNet benchmark collection.

Representation learning on a knowledge graph (KG) is to embed entities and relations of a KG into low-dimensional continuous vector spaces. Early KG embedding methods only pay attention to structured information encoded in triples, which would cause limited performance due to the structure sparseness of KGs. Some recent attempts consider paths information to expand the structure of KGs but lack explainability in the process of obtaining the path representations. In this paper, we propose a novel Rule and Path-based Joint Embedding (RPJE) scheme, which takes full advantage of the explainability and accuracy of logic rules, the generalization of KG embedding as well as the supplementary semantic structure of paths. Specifically, logic rules of different lengths (the number of relations in rule body) in the form of Horn clauses are first mined from the KG and elaborately encoded for representation learning. Then, the rules of length 2 are applied to compose paths accurately while the rules of length 1 are explicitly employed to create semantic associations among relations and constrain relation embeddings. Besides, the confidence level of each rule is also considered in optimization to guarantee the availability of applying the rule to representation learning. Extensive experimental results illustrate that RPJE outperforms other state-of-the-art baselines on KG completion task, which also demonstrate the superiority of utilizing logic rules as well as paths for improving the accuracy and explainability of representation learning.

Entity alignment is a viable means for integrating heterogeneous knowledge among different knowledge graphs (KGs). Recent developments in the field often take an embedding-based approach to model the structural information of KGs so that entity alignment can be easily performed in the embedding space. However, most existing works do not explicitly utilize useful relation representations to assist in entity alignment, which, as we will show in the paper, is a simple yet effective way for improving entity alignment. This paper presents a novel joint learning framework for entity alignment. At the core of our approach is a Graph Convolutional Network (GCN) based framework for learning both entity and relation representations. Rather than relying on pre-aligned relation seeds to learn relation representations, we first approximate them using entity embeddings learned by the GCN. We then incorporate the relation approximation into entities to iteratively learn better representations for both. Experiments performed on three real-world cross-lingual datasets show that our approach substantially outperforms state-of-the-art entity alignment methods.

Real-world applications often combine learning and optimization problems on graphs. For instance, our objective may be to cluster the graph in order to detect meaningful communities (or solve other common graph optimization problems such as facility location, maxcut, and so on). However, graphs or related attributes are often only partially observed, introducing learning problems such as link prediction which must be solved prior to optimization. We propose an approach to integrate a differentiable proxy for common graph optimization problems into training of machine learning models for tasks such as link prediction. This allows the model to focus specifically on the downstream task that its predictions will be used for. Experimental results show that our end-to-end system obtains better performance on example optimization tasks than can be obtained by combining state of the art link prediction methods with expert-designed graph optimization algorithms.

Meta learning is a promising solution to few-shot learning problems. However, existing meta learning methods are restricted to the scenarios where training and application tasks share the same out-put structure. To obtain a meta model applicable to the tasks with new structures, it is required to collect new training data and repeat the time-consuming meta training procedure. This makes them inefficient or even inapplicable in learning to solve heterogeneous few-shot learning tasks. We thus develop a novel and principled HierarchicalMeta Learning (HML) method. Different from existing methods that only focus on optimizing the adaptability of a meta model to similar tasks, HML also explicitly optimizes its generalizability across heterogeneous tasks. To this end, HML first factorizes a set of similar training tasks into heterogeneous ones and trains the meta model over them at two levels to maximize adaptation and generalization performance respectively. The resultant model can then directly generalize to new tasks. Extensive experiments on few-shot classification and regression problems clearly demonstrate the superiority of HML over fine-tuning and state-of-the-art meta learning approaches in terms of generalization across heterogeneous tasks.

Deep learning has been shown successful in a number of domains, ranging from acoustics, images to natural language processing. However, applying deep learning to the ubiquitous graph data is non-trivial because of the unique characteristics of graphs. Recently, a significant amount of research efforts have been devoted to this area, greatly advancing graph analyzing techniques. In this survey, we comprehensively review different kinds of deep learning methods applied to graphs. We divide existing methods into three main categories: semi-supervised methods including Graph Neural Networks and Graph Convolutional Networks, unsupervised methods including Graph Autoencoders, and recent advancements including Graph Recurrent Neural Networks and Graph Reinforcement Learning. We then provide a comprehensive overview of these methods in a systematic manner following their history of developments. We also analyze the differences of these methods and how to composite different architectures. Finally, we briefly outline their applications and discuss potential future directions.

Random walks are at the heart of many existing network embedding methods. However, such algorithms have many limitations that arise from the use of random walks, e.g., the features resulting from these methods are unable to transfer to new nodes and graphs as they are tied to vertex identity. In this work, we introduce the Role2Vec framework which uses the flexible notion of attributed random walks, and serves as a basis for generalizing existing methods such as DeepWalk, node2vec, and many others that leverage random walks. Our proposed framework enables these methods to be more widely applicable for both transductive and inductive learning as well as for use on graphs with attributes (if available). This is achieved by learning functions that generalize to new nodes and graphs. We show that our proposed framework is effective with an average AUC improvement of 16:55% while requiring on average 853x less space than existing methods on a variety of graphs.