We present batch virtual adversarial training (BVAT), a novel regularization method for graph convolutional networks (GCNs). BVAT addresses the shortcoming of GCNs that do not consider the smoothness of the model's output distribution against local perturbations around the input. We propose two algorithms, sample-based BVAT and optimization-based BVAT, which are suitable to promote the smoothness of the model for graph-structured data by either finding virtual adversarial perturbations for a subset of nodes far from each other or generating virtual adversarial perturbations for all nodes with an optimization process. Extensive experiments on three citation network datasets Cora, Citeseer and Pubmed and a knowledge graph dataset Nell validate the effectiveness of the proposed method, which establishes state-of-the-art results in the semi-supervised node classification tasks.
Prediction tasks over nodes and edges in networks require careful effort in engineering features used by learning algorithms. Recent research in the broader field of representation learning has led to significant progress in automating prediction by learning the features themselves. However, present feature learning approaches are not expressive enough to capture the diversity of connectivity patterns observed in networks. Here we propose node2vec, an algorithmic framework for learning continuous feature representations for nodes in networks. In node2vec, we learn a mapping of nodes to a low-dimensional space of features that maximizes the likelihood of preserving network neighborhoods of nodes. We define a flexible notion of a node's network neighborhood and design a biased random walk procedure, which efficiently explores diverse neighborhoods. Our algorithm generalizes prior work which is based on rigid notions of network neighborhoods, and we argue that the added flexibility in exploring neighborhoods is the key to learning richer representations. We demonstrate the efficacy of node2vec over existing state-of-the-art techniques on multi-label classification and link prediction in several real-world networks from diverse domains. Taken together, our work represents a new way for efficiently learning state-of-the-art task-independent representations in complex networks. We show how nonlinear embedding algorithms popular for use with "shallow" semi-supervised learning techniques such as kernel methods can be easily applied to deep multi-layer architectures, either as a regularizer at the output layer, or on each layer of the architecture. This trick provides a simple alternative to existing approaches to deep learning whilst yielding competitive error rates compared to those methods, and existing shallow semi-supervised techniques. Deep learning on graph structures has shown exciting results in various applications. However, few attentions have been paid to the robustness of such models, in contrast to numerous research work for image or text adversarial attack and defense. In this paper, we focus on the adversarial attacks that fool the model by modifying the combinatorial structure of data. We first propose a reinforcement learning based attack method that learns the generalizable attack policy, while only requiring prediction labels from the target classifier. Also, variants of genetic algorithms and gradient methods are presented in the scenario where prediction confidence or gradients are available. We use both synthetic and real-world data to show that, a family of Graph Neural Network models are vulnerable to these attacks, in both graph-level and node-level classification tasks. We also show such attacks can be used to diagnose the learned classifiers. We propose a family of learning algorithms based on a new form of regularization that allows us to exploit the geometry of the marginal distribution. We focus on a semi-supervised framework that incorporates labeled and unlabeled data in a general-purpose learner. Some transductive graph learning algorithms and standard methods including support vector machines and regularized least squares can be obtained as special cases. We use properties of reproducing kernel Hilbert spaces to prove new Representer theorems that provide theoretical basis for the algorithms. As a result (in contrast to purely graph-based approaches) we obtain a natural out-of-sample extension to novel examples and so are able to handle both transductive and truly semi-supervised settings. We present experimental evidence suggesting that our semi-supervised algorithms are able to use unlabeled data effectively. Finally we have a brief discussion of unsupervised and fully supervised learning within our general framework. Low-dimensional embeddings of nodes in large graphs have proved extremely useful in a variety of prediction tasks, from content recommendation to identifying protein functions. However, most existing approaches require that all nodes in the graph are present during training of the embeddings; these previous approaches are inherently transductive and do not naturally generalize to unseen nodes. Here we present GraphSAGE, a general, inductive framework that leverages node feature information (e.g., text attributes) to efficiently generate node embeddings. Instead of training individual embeddings for each node, we learn a function that generates embeddings by sampling and aggregating features from a node's local neighborhood. Our algorithm outperforms strong baselines on three inductive node-classification benchmarks: we classify the category of unseen nodes in evolving information graphs based on citation and Reddit post data, and we show that our algorithm generalizes to completely unseen graphs using a multi-graph dataset of protein-protein interactions. We present a scalable approach for semi-supervised learning on graph-structured data that is based on an efficient variant of convolutional neural networks which operate directly on graphs. We motivate the choice of our convolutional architecture via a localized first-order approximation of spectral graph convolutions. Our model scales linearly in the number of graph edges and learns hidden layer representations that encode both local graph structure and features of nodes. In a number of experiments on citation networks and on a knowledge graph dataset we demonstrate that our approach outperforms related methods by a significant margin. We present DeepWalk, a novel approach for learning latent representations of vertices in a network. These latent representations encode social relations in a continuous vector space, which is easily exploited by statistical models. DeepWalk generalizes recent advancements in language modeling and unsupervised feature learning (or deep learning) from sequences of words to graphs. DeepWalk uses local information obtained from truncated random walks to learn latent representations by treating walks as the equivalent of sentences. We demonstrate DeepWalk's latent representations on several multi-label network classification tasks for social networks such as BlogCatalog, Flickr, and YouTube. Our results show that DeepWalk outperforms challenging baselines which are allowed a global view of the network, especially in the presence of missing information. DeepWalk's representations can provide F1 scores up to 10 higher than competing methods when labeled data is sparse. In some experiments, DeepWalk's representations are able to outperform all baseline methods while using 60 less training data. DeepWalk is also scalable. It is an online learning algorithm which builds useful incremental results, and is trivially parallelizable. These qualities make it suitable for a broad class of real world applications such as network classification, and anomaly detection.  In this work, we are interested in generalizing convolutional neural networks (CNNs) from low-dimensional regular grids, where image, video and speech are represented, to high-dimensional irregular domains, such as social networks, brain connectomes or words' embedding, represented by graphs. We present a formulation of CNNs in the context of spectral graph theory, which provides the necessary mathematical background and efficient numerical schemes to design fast localized convolutional filters on graphs. Importantly, the proposed technique offers the same linear computational complexity and constant learning complexity as classical CNNs, while being universal to any graph structure. Experiments on MNIST and 20NEWS demonstrate the ability of this novel deep learning system to learn local, stationary, and compositional features on graphs. We present a semi-supervised learning framework based on graph embeddings. Given a graph between instances, we train an embedding for each instance to jointly predict the class label and the neighborhood context in the graph. We develop both transductive and inductive variants of our method. In the transductive variant of our method, the class labels are determined by both the learned embeddings and input feature vectors, while in the inductive variant, the embeddings are defined as a parametric function of the feature vectors, so predictions can be made on instances not seen during training. On a large and diverse set of benchmark tasks, including text classification, distantly supervised entity extraction, and entity classification, we show improved performance over many of the existing models.  An approach to semi-supervised learning is proposed that is based on a Gaussian random field model. Labeled and unlabeled data are represented as vertices in a weighted graph, with edge weights encoding the similarity between instances. The learning problem is then formulated in terms of a Gaussian random field on this graph, where the mean of the field is characterized in terms of harmonic functions, and is efficiently obtained using matrix methods or belief propagation. The resulting learning algorithms have intimate connections with random walks, electric networks, and spectral graph theory. We discuss methods to incorporate class priors and the predictions of classifiers obtained by supervised learning. We also propose a method of parameter learning by entropy minimization, and show the algorithm's ability to perform feature selection. Promising experimental results are presented for synthetic data, digit classification, and text classification tasks. Deep learning has achieved a remarkable performance breakthrough in several fields, most notably in speech recognition, natural language processing, and computer vision. In particular, convolutional neural network (CNN) architectures currently produce state-of-the-art performance on a variety of image analysis tasks such as object detection and recognition. Most of deep learning research has so far focused on dealing with 1D, 2D, or 3D Euclidean-structured data such as acoustic signals, images, or videos. Recently, there has been an increasing interest in geometric deep learning, attempting to generalize deep learning methods to non-Euclidean structured data such as graphs and manifolds, with a variety of applications from the domains of network analysis, computational social science, or computer graphics. In this paper, we propose a unified framework allowing to generalize CNN architectures to non-Euclidean domains (graphs and manifolds) and learn local, stationary, and compositional task-specific features. We show that various non-Euclidean CNN methods previously proposed in the literature can be considered as particular instances of our framework. We test the proposed method on standard tasks from the realms of image-, graph-and 3D shape analysis and show that it consistently outperforms previous approaches.