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Knowledge graphs link entities through relations to provide a structured representation of real world facts. However, they are often incomplete, because they are based on only a small fraction of all plausible facts. The task of knowledge graph completion via link prediction aims to overcome this challenge by inferring missing facts represented as links between entities. Current approaches to link prediction leverage tensor factorization and/or deep learning. Factorization methods train and deploy rapidly thanks to their small number of parameters but have limited expressiveness due to their underlying linear methodology. Deep learning methods are more expressive but also computationally expensive and prone to overfitting due to their large number of trainable parameters. We propose Neural Powered Tucker Network (NePTuNe), a new hybrid link prediction model that couples the expressiveness of deep models with the speed and size of linear models. We demonstrate that NePTuNe provides state-of-the-art performance on the FB15K-237 dataset and near state-of-the-art performance on the WN18RR dataset.

Learning powerful data embeddings has become a center piece in machine learning, especially in natural language processing and computer vision domains. The crux of these embeddings is that they are pretrained on huge corpus of data in a unsupervised fashion, sometimes aided with transfer learning. However currently in the graph learning domain, embeddings learned through existing graph neural networks (GNNs) are task dependent and thus cannot be shared across different datasets. In this paper, we present a first powerful and theoretically guaranteed graph neural network that is designed to learn task-independent graph embeddings, thereafter referred to as deep universal graph embedding (DUGNN). Our DUGNN model incorporates a novel graph neural network (as a universal graph encoder) and leverages rich Graph Kernels (as a multi-task graph decoder) for both unsupervised learning and (task-specific) adaptive supervised learning. By learning task-independent graph embeddings across diverse datasets, DUGNN also reaps the benefits of transfer learning. Through extensive experiments and ablation studies, we show that the proposed DUGNN model consistently outperforms both the existing state-of-art GNN models and Graph Kernels by an increased accuracy of 3% - 8% on graph classification benchmark datasets.

Graph or network data is ubiquitous in the real world, including social networks, information networks, traffic networks, biological networks and various technical networks. The non-Euclidean nature of graph data poses the challenge for modeling and analyzing graph data. Recently, Graph Neural Network (GNNs) are proposed as a general and powerful framework to handle tasks on graph data, e.g., node embedding, link prediction and node classification. As a representative implementation of GNNs, Graph Attention Networks (GATs) are successfully applied in a variety of tasks on real datasets. However, GAT is designed to networks with only positive links and fails to handle signed networks which contain both positive and negative links. In this paper, we propose Signed Graph Attention Networks (SiGATs), generalizing GAT to signed networks. SiGAT incorporates graph motifs into GAT to capture two well-known theories in signed network research, i.e., balance theory and status theory. In SiGAT, motifs offer us the flexible structural pattern to aggregate and propagate messages on the signed network to generate node embeddings. We evaluate the proposed SiGAT method by applying it to the signed link prediction task. Experimental results on three real datasets demonstrate that SiGAT outperforms feature-based method, network embedding method and state-of-the-art GNN-based methods like signed graph convolutional network (SGCN).

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.

Network embedding has attracted an increasing attention over the past few years. As an effective approach to solve graph mining problems, network embedding aims to learn a low-dimensional feature vector representation for each node of a given network. The vast majority of existing network embedding algorithms, however, are only designed for unsigned networks, and the signed networks containing both positive and negative links, have pretty distinct properties from the unsigned counterpart. In this paper, we propose a deep network embedding model to learn the low-dimensional node vector representations with structural balance preservation for the signed networks. The model employs a semi-supervised stacked auto-encoder to reconstruct the adjacency connections of a given signed network. As the adjacency connections are overwhelmingly positive in the real-world signed networks, we impose a larger penalty to make the auto-encoder focus more on reconstructing the scarce negative links than the abundant positive links. In addition, to preserve the structural balance property of signed networks, we design the pairwise constraints to make the positively connected nodes much closer than the negatively connected nodes in the embedding space. Based on the network representations learned by the proposed model, we conduct link sign prediction and community detection in signed networks. Extensive experimental results in real-world datasets demonstrate the superiority of the proposed model over the state-of-the-art network embedding algorithms for graph representation learning in signed networks.

We present Deep Graph Infomax (DGI), a general approach for learning node representations within graph-structured data in an unsupervised manner. DGI relies on maximizing mutual information between patch representations and corresponding high-level summaries of graphs---both derived using established graph convolutional network architectures. The learnt patch representations summarize subgraphs centered around nodes of interest, and can thus be reused for downstream node-wise learning tasks. In contrast to most prior approaches to unsupervised learning with GCNs, DGI does not rely on random walk objectives, and is readily applicable to both transductive and inductive learning setups. We demonstrate competitive performance on a variety of node classification benchmarks, which at times even exceeds the performance of supervised learning.

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.

Recently popularized graph neural networks achieve the state-of-the-art accuracy on a number of standard benchmark datasets for graph-based semi-supervised learning, improving significantly over existing approaches. These architectures alternate between a propagation layer that aggregates the hidden states of the local neighborhood and a fully-connected layer. Perhaps surprisingly, we show that a linear model, that removes all the intermediate fully-connected layers, is still able to achieve a performance comparable to the state-of-the-art models. This significantly reduces the number of parameters, which is critical for semi-supervised learning where number of labeled examples are small. This in turn allows a room for designing more innovative propagation layers. Based on this insight, we propose a novel graph neural network that removes all the intermediate fully-connected layers, and replaces the propagation layers with attention mechanisms that respect the structure of the graph. The attention mechanism allows us to learn a dynamic and adaptive local summary of the neighborhood to achieve more accurate predictions. In a number of experiments on benchmark citation networks datasets, we demonstrate that our approach outperforms competing methods. By examining the attention weights among neighbors, we show that our model provides some interesting insights on how neighbors influence each other.

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.