ANAE: Learning Node Context Representation for Attributed Network Embedding

Attributed network embedding aims to learn low-dimensional node representations from both network structure and node attributes. Existing methods can be categorized into two groups: (1) the first group learns two separated node representations from network structure and node attribute respectively and concatenates them together; (2) the other group obtains node representations by translating node attributes into network structure or vice versa. However, both groups have their drawbacks. The first group neglects the correlation between network structure and node attributes, while the second group assumes strong dependence between these two types of information. In this paper, we address attributed network embedding from a novel perspective, i.e., learning node context representation for each node via modeling its attributed local subgraph. To achieve this goal, we propose a novel attributed network auto-encoder framework, namely ANAE. For a target node, ANAE first aggregates the attribute information from its attributed local subgraph, obtaining its low-dimensional representation. Next, ANAE diffuses the representation of the target node to nodes in its local subgraph to reconstruct their attributes. Such an encoder-decoder framework allows the learned representations to better preserve the context information manifested in both network structure and node attributes, thus having high capacity to learn good node representations for attributed network. Extensive experimental results on real-world datasets demonstrate that the proposed framework outperforms the state-of-the-art approaches at the tasks of link prediction and node classification

Learning Graph Embedding with Adversarial Training Methods

Graph embedding aims to transfer a graph into vectors to facilitate subsequent graph analytics tasks like link prediction and graph clustering. Most approaches on graph embedding focus on preserving the graph structure or minimizing the reconstruction errors for graph data. They have mostly overlooked the embedding distribution of the latent codes, which unfortunately may lead to inferior representation in many cases. In this paper, we present a novel adversarially regularized framework for graph embedding. By employing the graph convolutional network as an encoder, our framework embeds the topological information and node content into a vector representation, from which a graph decoder is further built to reconstruct the input graph. The adversarial training principle is applied to enforce our latent codes to match a prior Gaussian or Uniform distribution. Based on this framework, we derive two variants of adversarial models, the adversarially regularized graph autoencoder (ARGA) and its variational version, adversarially regularized variational graph autoencoder (ARVGA), to learn the graph embedding effectively. We also exploit other potential variations of ARGA and ARVGA to get a deeper understanding on our designs. Experimental results compared among twelve algorithms for link prediction and twenty algorithms for graph clustering validate our solutions.Comment: To appear in IEEE Transactions on Cybernetics. arXiv admin note: substantial text overlap with arXiv:1802.0440

A Framework for Generalizing Graph-based Representation Learning Methods

Random walks are at the heart of many existing deep learning algorithms for graph data. 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 node identity. In this work, we introduce the notion of attributed random walks which 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 16.1% while requiring on average 853 times less space than existing methods on a variety of graphs from several domains

Modeling polypharmacy side effects with graph convolutional networks

The use of drug combinations, termed polypharmacy, is common to treat patients with complex diseases and co-existing conditions. However, a major consequence of polypharmacy is a much higher risk of adverse side effects for the patient. Polypharmacy side effects emerge because of drug-drug interactions, in which activity of one drug may change if taken with another drug. The knowledge of drug interactions is limited because these complex relationships are rare, and are usually not observed in relatively small clinical testing. Discovering polypharmacy side effects thus remains an important challenge with significant implications for patient mortality. Here, we present Decagon, an approach for modeling polypharmacy side effects. The approach constructs a multimodal graph of protein-protein interactions, drug-protein target interactions, and the polypharmacy side effects, which are represented as drug-drug interactions, where each side effect is an edge of a different type. Decagon is developed specifically to handle such multimodal graphs with a large number of edge types. Our approach develops a new graph convolutional neural network for multirelational link prediction in multimodal networks. Decagon predicts the exact side effect, if any, through which a given drug combination manifests clinically. Decagon accurately predicts polypharmacy side effects, outperforming baselines by up to 69%. We find that it automatically learns representations of side effects indicative of co-occurrence of polypharmacy in patients. Furthermore, Decagon models particularly well side effects with a strong molecular basis, while on predominantly non-molecular side effects, it achieves good performance because of effective sharing of model parameters across edge types. Decagon creates opportunities to use large pharmacogenomic and patient data to flag and prioritize side effects for follow-up analysis.Comment: Presented at ISMB 201

Capturing Edge Attributes via Network Embedding

Network embedding, which aims to learn low-dimensional representations of nodes, has been used for various graph related tasks including visualization, link prediction and node classification. Most existing embedding methods rely solely on network structure. However, in practice we often have auxiliary information about the nodes and/or their interactions, e.g., content of scientific papers in co-authorship networks, or topics of communication in Twitter mention networks. Here we propose a novel embedding method that uses both network structure and edge attributes to learn better network representations. Our method jointly minimizes the reconstruction error for higher-order node neighborhood, social roles and edge attributes using a deep architecture that can adequately capture highly non-linear interactions. We demonstrate the efficacy of our model over existing state-of-the-art methods on a variety of real-world networks including collaboration networks, and social networks. We also observe that using edge attributes to inform network embedding yields better performance in downstream tasks such as link prediction and node classification

A simple yet effective baseline for non-attributed graph classification

Graphs are complex objects that do not lend themselves easily to typical learning tasks. Recently, a range of approaches based on graph kernels or graph neural networks have been developed for graph classification and for representation learning on graphs in general. As the developed methodologies become more sophisticated, it is important to understand which components of the increasingly complex methods are necessary or most effective. As a first step, we develop a simple yet meaningful graph representation, and explore its effectiveness in graph classification. We test our baseline representation for the graph classification task on a range of graph datasets. Interestingly, this simple representation achieves similar performance as the state-of-the-art graph kernels and graph neural networks for non-attributed graph classification. Its performance on classifying attributed graphs is slightly weaker as it does not incorporate attributes. However, given its simplicity and efficiency, we believe that it still serves as an effective baseline for attributed graph classification. Our graph representation is efficient (linear-time) to compute. We also provide a simple connection with the graph neural networks. Note that these observations are only for the task of graph classification while existing methods are often designed for a broader scope including node embedding and link prediction. The results are also likely biased due to the limited amount of benchmark datasets available. Nevertheless, the good performance of our simple baseline calls for the development of new, more comprehensive benchmark datasets so as to better evaluate and analyze different graph learning methods. Furthermore, given the computational efficiency of our graph summary, we believe that it is a good candidate as a baseline method for future graph classification (or even other graph learning) studies.Comment: 13 pages. Shorter version appears at 2019 ICLR Workshop: Representation Learning on Graphs and Manifolds. arXiv admin note: text overlap with arXiv:1810.00826 by other author

Learning Role-based Graph Embeddings

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.Comment: StarAI workshop @ IJCAI 201

Adversarial Attack and Defense on Graph Data: A Survey

Deep neural networks (DNNs) have been widely applied to various applications including image classification, text generation, audio recognition, and graph data analysis. However, recent studies have shown that DNNs are vulnerable to adversarial attacks. Though there are several works studying adversarial attack and defense strategies on domains such as images and natural language processing, it is still difficult to directly transfer the learned knowledge to graph structure data due to its representation challenges. Given the importance of graph analysis, an increasing number of works start to analyze the robustness of machine learning models on graph data. Nevertheless, current studies considering adversarial behaviors on graph data usually focus on specific types of attacks with certain assumptions. In addition, each work proposes its own mathematical formulation which makes the comparison among different methods difficult. Therefore, in this paper, we aim to survey existing adversarial learning strategies on graph data and first provide a unified formulation for adversarial learning on graph data which covers most adversarial learning studies on graph. Moreover, we also compare different attacks and defenses on graph data and discuss their corresponding contributions and limitations. In this work, we systemically organize the considered works based on the features of each topic. This survey not only serves as a reference for the research community, but also brings a clear image researchers outside this research domain. Besides, we also create an online resource and keep updating the relevant papers during the last two years. More details of the comparisons of various studies based on this survey are open-sourced at https://github.com/YingtongDou/graph-adversarial-learning-literature.Comment: In submission to Journal. For more open-source and up-to-date information, please check our Github repository: https://github.com/YingtongDou/graph-adversarial-learning-literatur

dyngraph2vec: Capturing Network Dynamics using Dynamic Graph Representation Learning

Learning graph representations is a fundamental task aimed at capturing various properties of graphs in vector space. The most recent methods learn such representations for static networks. However, real world networks evolve over time and have varying dynamics. Capturing such evolution is key to predicting the properties of unseen networks. To understand how the network dynamics affect the prediction performance, we propose an embedding approach which learns the structure of evolution in dynamic graphs and can predict unseen links with higher precision. Our model, dyngraph2vec, learns the temporal transitions in the network using a deep architecture composed of dense and recurrent layers. We motivate the need of capturing dynamics for prediction on a toy data set created using stochastic block models. We then demonstrate the efficacy of dyngraph2vec over existing state-of-the-art methods on two real world data sets. We observe that learning dynamics can improve the quality of embedding and yield better performance in link prediction

Deep Feature Learning of Multi-Network Topology for Node Classification

Networks are ubiquitous structure that describes complex relationships between different entities in the real world. As a critical component of prediction task over nodes in networks, learning the feature representation of nodes has become one of the most active areas recently. Network Embedding, aiming to learn non-linear and low-dimensional feature representation based on network topology, has been proved to be helpful on tasks of network analysis, especially node classification. For many real-world systems, multiple types of relations are naturally represented by multiple networks. However, existing network embedding methods mainly focus on single network embedding and neglect the information shared among different networks. In this paper, we propose a novel multiple network embedding method based on semisupervised autoencoder, named DeepMNE, which captures complex topological structures of multi-networks and takes the correlation among multi-networks into account. We evaluate DeepMNE on the task of node classification with two real-world datasets. The experimental results demonstrate the superior performance of our method over four state-of-the-art algorithms