Graph autoencoders (AE) and variational autoencoders (VAE) recently emerged as powerful node embedding methods. In particular, graph AE and VAE were successfully leveraged to tackle the challenging link prediction problem, aiming at figuring out whether some pairs of nodes from a graph are connected by unobserved edges. However, these models focus on undirected graphs and therefore ignore the potential direction of the link, which is limiting for numerous real-life applications. In this paper, we extend the graph AE and VAE frameworks to address link prediction in directed graphs. We present a new gravity-inspired decoder scheme that can effectively reconstruct directed graphs from a node embedding. We empirically evaluate our method on three different directed link prediction tasks, for which standard graph AE and VAE perform poorly. We achieve competitive results on three real-world graphs, outperforming several popular baselines.

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网络中的链路预测(Link Prediction)是指如何通过已知的网络节点以及网络结构等信息预测网络中尚未产生连边的两个节点之间产生链接的可能性。这种预测既包含了对未知链接(exist yet unknown links)的预测也包含了对未来链接(future links)的预测。该问题的研究在理论和应用两个方面都具有重要的意义和价值 。

Knowledge graph embedding, which aims to represent entities and relations as low dimensional vectors (or matrices, tensors, etc.), has been shown to be a powerful technique for predicting missing links in knowledge graphs. Existing knowledge graph embedding models mainly focus on modeling relation patterns such as symmetry/antisymmetry, inversion, and composition. However, many existing approaches fail to model semantic hierarchies, which are common in real-world applications. To address this challenge, we propose a novel knowledge graph embedding model---namely, Hierarchy-Aware Knowledge Graph Embedding (HAKE)---which maps entities into the polar coordinate system. HAKE is inspired by the fact that concentric circles in the polar coordinate system can naturally reflect the hierarchy. Specifically, the radial coordinate aims to model entities at different levels of the hierarchy, and entities with smaller radii are expected to be at higher levels; the angular coordinate aims to distinguish entities at the same level of the hierarchy, and these entities are expected to have roughly the same radii but different angles. Experiments demonstrate that HAKE can effectively model the semantic hierarchies in knowledge graphs, and significantly outperforms existing state-of-the-art methods on benchmark datasets for the link prediction task.

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Many irregular domains such as social networks, financial transactions, neuron connections, and natural language structures are represented as graphs. In recent years, a variety of graph neural networks (GNNs) have been successfully applied for representation learning and prediction on such graphs. However, in many of the applications, the underlying graph changes over time and existing GNNs are inadequate for handling such dynamic graphs. In this paper we propose a novel technique for learning embeddings of dynamic graphs based on a tensor algebra framework. Our method extends the popular graph convolutional network (GCN) for learning representations of dynamic graphs using the recently proposed tensor M-product technique. Theoretical results that establish the connection between the proposed tensor approach and spectral convolution of tensors are developed. Numerical experiments on real datasets demonstrate the usefulness of the proposed method for an edge classification task on dynamic graphs.

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The recent proliferation of knowledge graphs (KGs) coupled with incomplete or partial information, in the form of missing relations (links) between entities, has fueled a lot of research on knowledge base completion (also known as relation prediction). Several recent works suggest that convolutional neural network (CNN) based models generate richer and more expressive feature embeddings and hence also perform well on relation prediction. However, we observe that these KG embeddings treat triples independently and thus fail to cover the complex and hidden information that is inherently implicit in the local neighborhood surrounding a triple. To this effect, our paper proposes a novel attention based feature embedding that captures both entity and relation features in any given entity's neighborhood. Additionally, we also encapsulate relation clusters and multihop relations in our model. Our empirical study offers insights into the efficacy of our attention based model and we show marked performance gains in comparison to state of the art methods on all datasets.

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Graph structured data are abundant in the real world. Among different graph types, directed acyclic graphs (DAGs) are of particular interest to machine learning researchers, as many machine learning models are realized as computations on DAGs, including neural networks and Bayesian networks. In this paper, we study deep generative models for DAGs, and propose a novel DAG variational autoencoder (D-VAE). To encode DAGs into the latent space, we leverage graph neural networks. We propose an asynchronous message passing scheme that allows encoding the computations on DAGs, rather than using existing simultaneous message passing schemes to encode local graph structures. We demonstrate the effectiveness of our proposed D-VAE through two tasks: neural architecture search and Bayesian network structure learning. Experiments show that our model not only generates novel and valid DAGs, but also produces a smooth latent space that facilitates searching for DAGs with better performance through Bayesian optimization.

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Knowledge graph embedding aims to learn distributed representations for entities and relations, and is proven to be effective in many applications. Crossover interactions --- bi-directional effects between entities and relations --- help select related information when predicting a new triple, but haven't been formally discussed before. In this paper, we propose CrossE, a novel knowledge graph embedding which explicitly simulates crossover interactions. It not only learns one general embedding for each entity and relation as most previous methods do, but also generates multiple triple specific embeddings for both of them, named interaction embeddings. We evaluate embeddings on typical link prediction tasks and find that CrossE achieves state-of-the-art results on complex and more challenging datasets. Furthermore, we evaluate embeddings from a new perspective --- giving explanations for predicted triples, which is important for real applications. In this work, an explanation for a triple is regarded as a reliable closed-path between the head and the tail entity. Compared to other baselines, we show experimentally that CrossE, benefiting from interaction embeddings, is more capable of generating reliable explanations to support its predictions.

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An attributed network enriches a pure network by encoding a part of widely accessible node auxiliary information into node attributes. Learning vector representation of each node a.k.a. Network Embedding (NE) for such an attributed network by considering both structure and attribute information has recently attracted considerable attention, since each node embedding is simply a unified low-dimension vector representation that makes downstream tasks e.g. link prediction more efficient and much easier to realize. Most of previous works have not considered the significant case of a network with incomplete structure information, which however, would often appear in our real-world scenarios e.g. the abnormal users in a social network who intentionally hide their friendships. And different networks obviously have different levels of incomplete structure information, which imposes more challenges to balance two sources of information. To tackle that, we propose a robust NE method called Attributed Biased Random Walks (ABRW) to employ attribute information for compensating incomplete structure information by using transition matrices. The experiments of link prediction and node classification tasks on real-world datasets confirm the robustness and effectiveness of our method to the different levels of the incomplete structure information.

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Knowledge graphs are large graph-structured databases of facts, which typically suffer from incompleteness. Link prediction is the task of inferring missing relations (links) between entities (nodes) in a knowledge graph. We approach this task using a hypernetwork architecture to generate convolutional layer filters specific to each relation and apply those filters to the subject entity embeddings. This architecture enables a trade-off between non-linear expressiveness and the number of parameters to learn. Our model simplifies the entity and relation embedding interactions introduced by the predecessor convolutional model, while outperforming all previous approaches to link prediction across all standard link prediction datasets.

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Script event prediction requires a model to predict the subsequent event given an existing event context. Previous models based on event pairs or event chains cannot make full use of dense event connections, which may limit their capability of event prediction. To remedy this, we propose constructing an event graph to better utilize the event network information for script event prediction. In particular, we first extract narrative event chains from large quantities of news corpus, and then construct a narrative event evolutionary graph (NEEG) based on the extracted chains. NEEG can be seen as a knowledge base that describes event evolutionary principles and patterns. To solve the inference problem on NEEG, we present a scaled graph neural network (SGNN) to model event interactions and learn better event representations. Instead of computing the representations on the whole graph, SGNN processes only the concerned nodes each time, which makes our model feasible to large-scale graphs. By comparing the similarity between input context event representations and candidate event representations, we can choose the most reasonable subsequent event. Experimental results on widely used New York Times corpus demonstrate that our model significantly outperforms state-of-the-art baseline methods, by using standard multiple choice narrative cloze evaluation.

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Traditional methods for link prediction can be categorized into three main types: graph structure feature-based, latent feature-based, and explicit feature-based. Graph structure feature methods leverage some handcrafted node proximity scores, e.g., common neighbors, to estimate the likelihood of links. Latent feature methods rely on factorizing networks' matrix representations to learn an embedding for each node. Explicit feature methods train a machine learning model on two nodes' explicit attributes. Each of the three types of methods has its unique merits. In this paper, we propose SEAL (learning from Subgraphs, Embeddings, and Attributes for Link prediction), a new framework for link prediction which combines the power of all the three types into a single graph neural network (GNN). GNN is a new type of neural network which directly accepts graphs as input and outputs their labels. In SEAL, the input to the GNN is a local subgraph around each target link. We prove theoretically that our local subgraphs also reserve a great deal of high-order graph structure features related to link existence. Another key feature is that our GNN can naturally incorporate latent features and explicit features. It is achieved by concatenating node embeddings (latent features) and node attributes (explicit features) in the node information matrix for each subgraph, thus combining the three types of features to enhance GNN learning. Through extensive experiments, SEAL shows unprecedentedly strong performance against a wide range of baseline methods, including various link prediction heuristics and network embedding methods.

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Networks provide a powerful formalism for modeling complex systems, by representing the underlying set of pairwise interactions. But much of the structure within these systems involves interactions that take place among more than two nodes at once; for example, communication within a group rather than person-to-person, collaboration among a team rather than a pair of co-authors, or biological interaction between a set of molecules rather than just two. We refer to these type of simultaneous interactions on sets of more than two nodes as higher-order interactions; they are ubiquitous, but the empirical study of them has lacked a general framework for evaluating higher-order models. Here we introduce such a framework, based on link prediction, a fundamental problem in network analysis. The traditional link prediction problem seeks to predict the appearance of new links in a network, and here we adapt it to predict which (larger) sets of elements will have future interactions. We study the temporal evolution of 19 datasets from a variety of domains, and use our higher-order formulation of link prediction to assess the types of structural features that are most predictive of new multi-way interactions. Among our results, we find that different domains vary considerably in their distribution of higher-order structural parameters, and that the higher-order link prediction problem exhibits some fundamental differences from traditional pairwise link prediction, with a greater role for local rather than long-range information in predicting the appearance of new interactions.

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