A network embedding consists of a vector representation for each node in the network. Its usefulness has been shown in many real-world application domains, such as social networks and web networks. Directed networks with text associated with each node, such as software package dependency networks, are commonplace. However, to the best of our knowledge, their embeddings have hitherto not been specifically studied. In this paper, we propose PCTADW-1 and PCTADW-2, two algorithms based on neural networks that learn embeddings of directed networks with text associated with each node. We create two new node-labeled such networks: The package dependency networks in two popular GNU/Linux distributions, Debian and Fedora. We experimentally demonstrate that the embeddings produced by our algorithms resulted in node classification with better quality than those of various baselines on these two networks. We observe that there exist systematic presence of analogies (similar to those in word embeddings) in the network embeddings of software package dependency networks. To the best of our knowledge, this is the first time that such systematic presence of analogies is observed in network and document embeddings. We further demonstrate that these network embeddings can be novelly used for better understanding software attributes, such as the development process and user interface of software, etc.
Convolutional neural networks (CNNs) have achieved great success on grid-like data such as images, but face tremendous challenges in learning from more generic data such as graphs. In CNNs, the trainable local filters enable the automatic extraction of high-level features. The computation with filters requires a fixed number of ordered units in the receptive fields. However, the number of neighboring units is neither fixed nor are they ordered in generic graphs, thereby hindering the applications of convolutional operations. Here, we address these challenges by proposing the learnable graph convolutional layer (LGCL). LGCL automatically selects a fixed number of neighboring nodes for each feature based on value ranking in order to transform graph data into grid-like structures in 1-D format, thereby enabling the use of regular convolutional operations on generic graphs. To enable model training on large-scale graphs, we propose a sub-graph training method to reduce the excessive memory and computational resource requirements suffered by prior methods on graph convolutions. Our experimental results on node classification tasks in both transductive and inductive learning settings demonstrate that our methods can achieve consistently better performance on the Cora, Citeseer, Pubmed citation network, and protein-protein interaction network datasets. Our results also indicate that the proposed methods using sub-graph training strategy are more efficient as compared to prior approaches.
Empirical risk minimization is the main tool for prediction problems, but its extension to relational data remains unsolved. We solve this problem using recent ideas from graph sampling theory to (i) define an empirical risk for relational data and (ii) obtain stochastic gradients for this empirical risk that are automatically unbiased. This is achieved by considering the method by which data is sampled from a graph as an explicit component of model design. By integrating fast implementations of graph sampling schemes with standard automatic differentiation tools, we provide an efficient turnkey solver for the risk minimization problem. We establish basic theoretical properties of the procedure. Finally, we demonstrate relational ERM with application to two non-standard problems: one-stage training for semi-supervised node classification, and learning embedding vectors for vertex attributes. Experiments confirm that the turnkey inference procedure is effective in practice, and that the sampling scheme used for model specification has a strong effect on model performance. Code is available at https://github.com/wooden-spoon/relational-ERM.
Recently, graph neural networks (GNNs) have revolutionized the field of graph representation learning through effectively learned node embeddings, and achieved state-of-the-art results in tasks such as node classification and link prediction. However, current GNN methods are inherently flat and do not learn hierarchical representations of graphs---a limitation that is especially problematic for the task of graph classification, where the goal is to predict the label associated with an entire graph. Here we propose DiffPool, a differentiable graph pooling module that can generate hierarchical representations of graphs and can be combined with various graph neural network architectures in an end-to-end fashion. DiffPool learns a differentiable soft cluster assignment for nodes at each layer of a deep GNN, mapping nodes to a set of clusters, which then form the coarsened input for the next GNN layer. Our experimental results show that combining existing GNN methods with DiffPool yields an average improvement of 5-10% accuracy on graph classification benchmarks, compared to all existing pooling approaches, achieving a new state-of-the-art on four out of five benchmark data sets.
Nodes in real world networks often have class labels, or underlying attributes, that are related to the way in which they connect to other nodes. Sometimes this relationship is simple, for instance nodes of the same class are may be more likely to be connected. In other cases, however, this is not true, and the way that nodes link in a network exhibits a different, more complex relationship to their attributes. Here, we consider networks in which we know how the nodes are connected, but we do not know the class labels of the nodes or how class labels relate to the network links. We wish to identify the best subset of nodes to label in order to learn this relationship between node attributes and network links. We can then use this discovered relationship to accurately predict the class labels of the rest of the network nodes. We present a model that identifies groups of nodes with similar link patterns, which we call network roles, using a generative blockmodel. The model then predicts labels by learning the mapping from network roles to class labels using a maximum margin classifier. We choose a subset of nodes to label according to an iterative margin-based active learning strategy. By integrating the discovery of network roles with the classifier optimisation, the active learning process can adapt the network roles to better represent the network for node classification. We demonstrate the model by exploring a selection of real world networks, including a marine food web and a network of English words. We show that, in contrast to other network classifiers, this model achieves good classification accuracy for a range of networks with different relationships between class labels and network links.
In many real applications that use and analyze networked data, the links in the network graph may be erroneous, or derived from probabilistic techniques. In such cases, the node classification problem can be challenging, since the unreliability of the links may affect the final results of the classification process. If the information about link reliability is not used explicitly, the classification accuracy in the underlying network may be affected adversely. In this paper, we focus on situations that require the analysis of the uncertainty that is present in the graph structure. We study the novel problem of node classification in uncertain graphs, by treating uncertainty as a first-class citizen. We propose two techniques based on a Bayes model and automatic parameter selection, and show that the incorporation of uncertainty in the classification process as a first-class citizen is beneficial. We experimentally evaluate the proposed approach using different real data sets, and study the behavior of the algorithms under different conditions. The results demonstrate the effectiveness and efficiency of our approach.
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 $F_1$ 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.
Subset selection from massive data with noised information is increasingly popular for various applications. This problem is still highly challenging as current methods are generally slow in speed and sensitive to outliers. To address the above two issues, we propose an accelerated robust subset selection (ARSS) method. Specifically in the subset selection area, this is the first attempt to employ the $\ell_{p}(0<p\leq1)$-norm based measure for the representation loss, preventing large errors from dominating our objective. As a result, the robustness against outlier elements is greatly enhanced. Actually, data size is generally much larger than feature length, i.e. $N\gg L$. Based on this observation, we propose a speedup solver (via ALM and equivalent derivations) to highly reduce the computational cost, theoretically from $O(N^{4})$ to $O(N{}^{2}L)$. Extensive experiments on ten benchmark datasets verify that our method not only outperforms state of the art methods, but also runs 10,000+ times faster than the most related method.
This paper studies the problem of embedding very large information networks into low-dimensional vector spaces, which is useful in many tasks such as visualization, node classification, and link prediction. Most existing graph embedding methods do not scale for real world information networks which usually contain millions of nodes. In this paper, we propose a novel network embedding method called the "LINE," which is suitable for arbitrary types of information networks: undirected, directed, and/or weighted. The method optimizes a carefully designed objective function that preserves both the local and global network structures. An edge-sampling algorithm is proposed that addresses the limitation of the classical stochastic gradient descent and improves both the effectiveness and the efficiency of the inference. Empirical experiments prove the effectiveness of the LINE on a variety of real-world information networks, including language networks, social networks, and citation networks. The algorithm is very efficient, which is able to learn the embedding of a network with millions of vertices and billions of edges in a few hours on a typical single machine. The source code of the LINE is available online.
We introduce a convolutional neural network that operates directly on graphs. These networks allow end-to-end learning of prediction pipelines whose inputs are graphs of arbitrary size and shape. The architecture we present generalizes standard molecular feature extraction methods based on circular fingerprints. We show that these data-driven features are more interpretable, and have better predictive performance on a variety of tasks.
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.
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 present diffusion-convolutional neural networks (DCNNs), a new model for graph-structured data. Through the introduction of a diffusion-convolution operation, we show how diffusion-based representations can be learned from graph-structured data and used as an effective basis for node classification. DCNNs have several attractive qualities, including a latent representation for graphical data that is invariant under isomorphism, as well as polynomial-time prediction and learning that can be represented as tensor operations and efficiently implemented on the GPU. Through several experiments with real structured datasets, we demonstrate that DCNNs are able to outperform probabilistic relational models and kernel-on-graph methods at relational node classification tasks.
We revisit the elegant observation of T. Cover '65 which, perhaps, is not as well-known to the broader community as it should be. The first goal of the tutorial is to explain---through the prism of this elementary result---how to solve certain sequence prediction problems by modeling sets of solutions rather than the unknown data-generating mechanism. We extend Cover's observation in several directions and focus on computational aspects of the proposed algorithms. The applicability of the methods is illustrated on several examples, including node classification in a network. The second aim of this tutorial is to demonstrate the following phenomenon: it is possible to predict as well as a combinatorial "benchmark" for which we have a certain multiplicative approximation algorithm, even if the exact computation of the benchmark given all the data is NP-hard. The proposed prediction methods, therefore, circumvent some of the computational difficulties associated with finding the best model given the data. These difficulties arise rather quickly when one attempts to develop a probabilistic model for graph-based or other problems with a combinatorial structure.
We propose a novel stacked generalization (stacking) method as a dynamic ensemble technique using a pool of heterogeneous classifiers for node label classification on networks. The proposed method assigns component models a set of functional coefficients, which can vary smoothly with certain topological features of a node. Compared to the traditional stacking model, the proposed method can dynamically adjust the weights of individual models as we move across the graph and provide a more versatile and significantly more accurate stacking model for label prediction on a network. We demonstrate the benefits of the proposed model using both a simulation study and real data analysis.
This paper investigates the problem of network embedding, which aims at learning low-dimensional vector representation of nodes in networks. Most existing network embedding methods rely solely on the network structure, i.e., the linkage relationships between nodes, but ignore the rich content information associated with it, which is common in real world networks and beneficial to describing the characteristics of a node. In this paper, we propose content-enhanced network embedding (CENE), which is capable of jointly leveraging the network structure and the content information. Our approach integrates text modeling and structure modeling in a general framework by treating the content information as a special kind of node. Experiments on several real world net- works with application to node classification show that our models outperform all existing network embedding methods, demonstrating the merits of content information and joint learning.
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.
Belief Propagation (BP) is a widely used approximation for exact probabilistic inference in graphical models, such as Markov Random Fields (MRFs). In graphs with cycles, however, no exact convergence guarantees for BP are known, in general. For the case when all edges in the MRF carry the same symmetric, doubly stochastic potential, recent works have proposed to approximate BP by linearizing the update equations around default values, which was shown to work well for the problem of node classification. The present paper generalizes all prior work and derives an approach that approximates loopy BP on any pairwise MRF with the problem of solving a linear equation system. This approach combines exact convergence guarantees and a fast matrix implementation with the ability to model heterogenous networks. Experiments on synthetic graphs with planted edge potentials show that the linearization has comparable labeling accuracy as BP for graphs with weak potentials, while speeding-up inference by orders of magnitude.
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.
Network embeddings have become very popular in learning effective feature representations of networks. Motivated by the recent successes of embeddings in natural language processing, researchers have tried to find network embeddings in order to exploit machine learning algorithms for mining tasks like node classification and edge prediction. However, most of the work focuses on finding distributed representations of nodes, which are inherently ill-suited to tasks such as community detection which are intuitively dependent on subgraphs. Here, we propose sub2vec, an unsupervised scalable algorithm to learn feature representations of arbitrary subgraphs. We provide means to characterize similarties between subgraphs and provide theoretical analysis of sub2vec and demonstrate that it preserves the so-called local proximity. We also highlight the usability of sub2vec by leveraging it for network mining tasks, like community detection. We show that sub2vec gets significant gains over state-of-the-art methods and node-embedding methods. In particular, sub2vec offers an approach to generate a richer vocabulary of features of subgraphs to support representation and reasoning.