Graph embedding is the task of representing nodes of a graph in a low-dimensional space and its applications for graph tasks have gained significant traction in academia and industry. The primary difference among the many recently proposed graph embedding methods is the way they preserve the inherent properties of the graphs. However, in practice, comparing these methods is very challenging. The majority of methods report performance boosts on few selected real graphs. Therefore, it is difficult to generalize these performance improvements to other types of graphs. Given a graph, it is currently impossible to quantify the advantages of one approach over another. In this work, we introduce a principled framework to compare graph embedding methods. Our goal is threefold: (i) provide a unifying framework for comparing the performance of various graph embedding methods, (ii) establish a benchmark with real-world graphs that exhibit different structural properties, and (iii) provide users with a tool to identify the best graph embedding method for their data. This paper evaluates 4 of the most influential graph embedding methods and 4 traditional link prediction methods against a corpus of 100 real-world networks with varying properties. We organize the 100 networks in terms of their properties to get a better understanding of the embedding performance of these popular methods. We use the comparisons on our 100 benchmark graphs to define GFS-score, that can be applied to any embedding method to quantify its performance. We rank the state-of-the-art embedding approaches using the GFS-score and show that it can be used to understand and evaluate novel embedding approaches. We envision that the proposed framework (https://www.github.com/palash1992/GEM-Benchmark) will serve the community as a benchmarking platform to test and compare the performance of future graph embedding techniques.
With the great success of graph embedding model on both academic and industry area, the robustness of graph embedding against adversarial attack inevitably becomes a central problem in graph learning domain. Regardless of the fruitful progress, most of the current works perform the attack in a white-box fashion: they need to access the model predictions and labels to construct their adversarial loss. However, the inaccessibility of model predictions in real systems makes the white-box attack impractical to real graph learning system. This paper promotes current frameworks in a more general and flexible sense -- we demand to attack various kinds of graph embedding model with black-box driven. To this end, we begin by investigating the theoretical connections between graph signal processing and graph embedding models in a principled way and formulate the graph embedding model as a general graph signal process with corresponding graph filter. As such, a generalized adversarial attacker: GF-Attack is constructed by the graph filter and feature matrix. Instead of accessing any knowledge of the target classifiers used in graph embedding, GF-Attack performs the attack only on the graph filter in a black-box attack fashion. To validate the generalization of GF-Attack, we construct the attacker on four popular graph embedding models. Extensive experimental results validate the effectiveness of our attacker on several benchmark datasets. Particularly by using our attack, even small graph perturbations like one-edge flip is able to consistently make a strong attack in performance to different graph embedding models.
Knowledge graph embedding methods often suffer from a limitation of memorizing valid triples to predict new ones for triple classification and search personalization problems. To this end, we introduce a novel embedding model, named R-MeN, that explores a relational memory network to encode potential dependencies in relationship triples. R-MeN considers each triple as a sequence of 3 input vectors that recurrently interact with a memory using a transformer self-attention mechanism. Thus R-MeN encodes new information from interactions between the memory and each input vector to return a corresponding vector. Consequently, R-MeN feeds these 3 returned vectors to a convolutional neural network-based decoder to produce a scalar score for the triple. Experimental results show that our proposed R-MeN obtains state-of-the-art results on SEARCH17 for the search personalization task, and on WN11 and FB13 for the triple classification task.
Graph Convolutional Networks (GCNs) are powerful models for learning representations of attributed graphs. To scale GCNs to large graphs, state-of-the-art methods use various layer sampling techniques to alleviate the "neighbor explosion" problem during minibatch training. We propose GraphSAINT, a graph sampling based inductive learning method that improves training efficiency and accuracy in a fundamentally different way. By changing perspective, GraphSAINT constructs minibatches by sampling the training graph, rather than the nodes or edges across GCN layers. Each iteration, a complete GCN is built from the properly sampled subgraph. Thus, we ensure fixed number of well-connected nodes in all layers. We further propose normalization technique to eliminate bias, and sampling algorithms for variance reduction. Importantly, we can decouple the sampling from the forward and backward propagation, and extend GraphSAINT with many architecture variants (e.g., graph attention, jumping connection). GraphSAINT demonstrates superior performance in both accuracy and training time on five large graphs, and achieves new state-of-the-art F1 scores for PPI (0.995) and Reddit (0.970).
Exploring the effects a chemical compound has on a species takes a considerable experimental effort. Appropriate methods for estimating and suggesting new effects can dramatically reduce the work needed to be done by a laboratory. In this paper we explore the suitability of using a knowledge graph embedding approach for ecotoxicological effect prediction. A knowledge graph has been constructed from publicly available data sets, including a species taxonomy and chemical classification and similarity. The publicly available effect data is integrated to the knowledge graph using ontology alignment techniques. Our experimental results show that the knowledge graph based approach improves the selected baselines.
We study the problem of detecting critical structures using a graph embedding model. Existing graph embedding models lack the ability to precisely detect critical structures that are specific to a task at the global scale. In this paper, we propose a novel graph embedding model, called the Ego-CNNs, that employs the ego-convolutions convolutions at each layer and stacks up layers using an ego-centric way to detects precise critical structures efficiently. An Ego-CNN can be jointly trained with a task model and help explain/discover knowledge for the task. We conduct extensive experiments and the results show that Ego-CNNs (1) can lead to comparable task performance as the state-of-the-art graph embedding models, (2) works nicely with CNN visualization techniques to illustrate the detected structures, and (3) is efficient and can incorporate with scale-free priors, which commonly occurs in social network datasets, to further improve the training efficiency.
Graph embedding learning that aims to automatically learn low-dimensional node representations, has drawn increasing attention in recent years. To date, most recent graph embedding methods are evaluated on social and information networks and are not comprehensively studied on biomedical networks under systematic experiments and analyses. On the other hand, for a variety of biomedical network analysis tasks, traditional techniques such as matrix factorization (which can be seen as a type of graph embedding methods) have shown promising results, and hence there is a need to systematically evaluate the more recent graph embedding methods (e.g. random walk-based and neural network-based) in terms of their usability and potential to further the state-of-the-art. We select 11 representative graph embedding methods and conduct a systematic comparison on 3 important biomedical link prediction tasks: drug-disease association (DDA) prediction, drug-drug interaction (DDI) prediction, protein-protein interaction (PPI) prediction; and 2 node classification tasks: medical term semantic type classification, protein function prediction. Our experimental results demonstrate that the recent graph embedding methods achieve promising results and deserve more attention in the future biomedical graph analysis. Compared with three state-of-the-art methods for DDAs, DDIs and protein function predictions, the recent graph embedding methods achieve competitive performance without using any biological features and the learned embeddings can be treated as complementary representations for the biological features. By summarizing the experimental results, we provide general guidelines for properly selecting graph embedding methods and setting their hyper-parameters for different biomedical tasks.
Graph embedding is a transformation of vertices of a graph into set of vectors. Good embeddings should capture the graph topology, vertex-to-vertex relationship, and other relevant information about graphs, subgraphs, and vertices. If these objectives are achieved, they are meaningful, understandable, and compressed representations of networks. They also provide more options and tools for data scientists as machine learning on graphs is still quite limited. Finally, vector operations are simpler and faster than comparable operations on graphs. The main challenge is that one needs to make sure that embeddings well describe the properties of the graphs. In particular, the decision has to be made on the embedding dimensionality which highly impacts the quality of an embedding. As a result, selecting the best embedding is a challenging task and very often requires domain experts. In this paper, we propose a ``divergence score'' that can be assign to various embeddings to distinguish good ones from bad ones. This general framework provides a tool for an unsupervised graph embedding comparison. In order to achieve it, we needed to generalize the well-known Chung-Lu model to incorporate geometry which is interesting on its own rights. In order to test our framework, we did a number of experiments with synthetic networks as well as real-world networks, and various embedding algorithms.
We study the problem of embedding-based entity alignment between knowledge graphs (KGs). Previous works mainly focus on the relational structure of entities. Some further incorporate another type of features, such as attributes, for refinement. However, a vast of entity features are still unexplored or not equally treated together, which impairs the accuracy and robustness of embedding-based entity alignment. In this paper, we propose a novel framework that unifies multiple views of entities to learn embeddings for entity alignment. Specifically, we embed entities based on the views of entity names, relations and attributes, with several combination strategies. Furthermore, we design some cross-KG inference methods to enhance the alignment between two KGs. Our experiments on real-world datasets show that the proposed framework significantly outperforms the state-of-the-art embedding-based entity alignment methods. The selected views, cross-KG inference and combination strategies all contribute to the performance improvement.
Recently, matrix factorization-based recommendation methods have been criticized for the problem raised by the triangle inequality violation. Although several metric learning-based approaches have been proposed to overcome this issue, existing approaches typically project each user to a single point in the metric space, and thus do not suffice for properly modeling the intensity and the heterogeneity of user-item relationships in implicit feedback. In this paper, we propose TransCF to discover such latent user-item relationships embodied in implicit user-item interactions. Inspired by the translation mechanism popularized by knowledge graph embedding, we construct user-item specific translation vectors by employing the neighborhood information of users and items, and translate each user toward items according to the user's relationships with the items. Our proposed method outperforms several state-of-the-art methods for top-N recommendation on seven real-world data by up to 17% in terms of hit ratio. We also conduct extensive qualitative evaluations on the translation vectors learned by our proposed method to ascertain the benefit of adopting the translation mechanism for implicit feedback-based recommendations.
Learning high-quality node embeddings is a key building block for machine learning models that operate on graph data, such as social networks and recommender systems. However, existing graph embedding techniques are unable to cope with fairness constraints, e.g., ensuring that the learned representations do not correlate with certain attributes, such as age or gender. Here, we introduce an adversarial framework to enforce fairness constraints on graph embeddings. Our approach is compositional---meaning that it can flexibly accommodate different combinations of fairness constraints during inference. For instance, in the context of social recommendations, our framework would allow one user to request that their recommendations are invariant to both their age and gender, while also allowing another user to request invariance to just their age. Experiments on standard knowledge graph and recommender system benchmarks highlight the utility of our proposed framework.
Graph embedding seeks to build a low-dimensional representation of a graph G. This low-dimensional representation is then used for various downstream tasks. One popular approach is Laplacian Eigenmaps, which constructs a graph embedding based on the spectral properties of the Laplacian matrix of G. The intuition behind it, and many other embedding techniques, is that the embedding of a graph must respect node similarity: similar nodes must have embeddings that are close to one another. Here, we dispose of this distance-minimization assumption. Instead, we use the Laplacian matrix to find an embedding with geometric properties instead of spectral ones, by leveraging the so-called simplex geometry of G. We introduce a new approach, Geometric Laplacian Eigenmap Embedding (or GLEE for short), and demonstrate that it outperforms various other techniques (including Laplacian Eigenmaps) in the tasks of graph reconstruction and link prediction.
We consider the problem of representation learning for graph data. Convolutional neural networks can naturally operate on images, but have significant challenges in dealing with graph data. Given images are special cases of graphs with nodes lie on 2D lattices, graph embedding tasks have a natural correspondence with image pixel-wise prediction tasks such as segmentation. While encoder-decoder architectures like U-Nets have been successfully applied on many image pixel-wise prediction tasks, similar methods are lacking for graph data. This is due to the fact that pooling and up-sampling operations are not natural on graph data. To address these challenges, we propose novel graph pooling (gPool) and unpooling (gUnpool) operations in this work. The gPool layer adaptively selects some nodes to form a smaller graph based on their scalar projection values on a trainable projection vector. We further propose the gUnpool layer as the inverse operation of the gPool layer. The gUnpool layer restores the graph into its original structure using the position information of nodes selected in the corresponding gPool layer. Based on our proposed gPool and gUnpool layers, we develop an encoder-decoder model on graph, known as the graph U-Nets. Our experimental results on node classification and graph classification tasks demonstrate that our methods achieve consistently better performance than previous models.
Recent interest in graph embedding methods has focused on learning a single representation for each node in the graph. But can nodes really be best described by a single vector representation? In this work, we propose a method for learning multiple representations of the nodes in a graph (e.g., the users of a social network). Based on a principled decomposition of the ego-network, each representation encodes the role of the node in a different local community in which the nodes participate. These representations allow for improved reconstruction of the nuanced relationships that occur in the graph -- a phenomenon that we illustrate through state-of-the-art results on link prediction tasks on a variety of graphs, reducing the error by up to $90\%$. In addition, we show that these embeddings allow for effective visual analysis of the learned community structure.
Network embedding (or graph embedding) has been widely used in many real-world applications. However, existing methods mainly focus on networks with single-typed nodes/edges and cannot scale well to handle large networks. Many real-world networks consist of billions of nodes and edges of multiple types, and each node is associated with different attributes. In this paper, we formalize the problem of embedding learning for the Attributed Multiplex Heterogeneous Network and propose a unified framework to address this problem. The framework supports both transductive and inductive learning. We also give the theoretical analysis of the proposed framework, showing its connection with previous works and proving its better expressiveness. We conduct systematical evaluations for the proposed framework on four different genres of challenging datasets: Amazon, YouTube, Twitter, and Alibaba. Experimental results demonstrate that with the learned embeddings from the proposed framework, we can achieve statistically significant improvements (e.g., 5.99-28.23% lift by F1 scores; p<<0.01, t-test) over previous state-of-the-art methods for link prediction. The framework has also been successfully deployed on the recommendation system of a worldwide leading e-commerce company, Alibaba Group. Results of the offline A/B tests on product recommendation further confirm the effectiveness and efficiency of the framework in practice.
Representation learning on graphs has emerged as a powerful mechanism to automate feature vector generation for downstream machine learning tasks. The advances in representation on graphs have centered on both homogeneous and heterogeneous graphs, where the latter presenting the challenges associated with multi-typed nodes and/or edges. In this paper, we consider the additional challenge of evolving graphs. We ask the question of whether the advances in representation learning for static graphs can be leveraged for dynamic graphs and how? It is important to be able to incorporate those advances to maximize the utility and generalization of methods. To that end, we propose the Framework for Incremental Learning of Dynamic Networks Embedding (FILDNE), which can utilize any existing static representation learning method for learning node embeddings, while keeping the computational costs low. FILDNE integrates the feature vectors computed using the standard methods over different timesteps into a single representation by developing a convex combination function and alignment mechanism. Experimental results on several downstream tasks, over seven real-world data sets, show that FILDNE is able to reduce memory and computational time costs while providing competitive quality measure gains with respect to the contemporary methods for representation learning on dynamic graphs.
Graph convolutional networks (GCNs) have recently become one of the most powerful tools for graph analytics tasks in numerous applications, ranging from social networks and natural language processing to bioinformatics and chemoinformatics, thanks to their ability to capture the complex relationships between concepts. At present, the vast majority of GCNs use a neighborhood aggregation framework to learn a continuous and compact vector, then performing a pooling operation to generalize graph embedding for the classification task. These approaches have two disadvantages in the graph classification task: (1)when only the largest sub-graph structure ($k$-hop neighbor) is used for neighborhood aggregation, a large amount of early-stage information is lost during the graph convolution step; (2) simple average/sum pooling or max pooling utilized, which loses the characteristics of each node and the topology between nodes. In this paper, we propose a novel framework called, dual attention graph convolutional networks (DAGCN) to address these problems. DAGCN automatically learns the importance of neighbors at different hops using a novel attention graph convolution layer, and then employs a second attention component, a self-attention pooling layer, to generalize the graph representation from the various aspects of a matrix graph embedding. The dual attention network is trained in an end-to-end manner for the graph classification task. We compare our model with state-of-the-art graph kernels and other deep learning methods. The experimental results show that our framework not only outperforms other baselines but also achieves a better rate of convergence.
Graph matching refers to finding node correspondence between graphs, such that the corresponding node and edge's affinity can be maximized. In addition with its NP-completeness nature, another important challenge is effective modeling of the node-wise and structure-wise affinity across graphs and the resulting objective, to guide the matching procedure effectively finding the true matching against noises. To this end, this paper devises an end-to-end differentiable deep network pipeline to learn the affinity for graph matching. It involves a supervised permutation loss regarding with node correspondence to capture the combinatorial nature for graph matching. Meanwhile deep graph embedding models are adopted to parameterize both intra-graph and cross-graph affinity functions, instead of the traditional shallow and simple parametric forms e.g. a Gaussian kernel. The embedding can also effectively capture the higher-order structure beyond second-order edges. The permutation loss model is agnostic to the number of nodes, and the embedding model is shared among nodes such that the network allows for varying numbers of nodes in graphs for training and inference. Moreover, our network is class-agnostic with some generalization capability across different categories. All these features are welcomed for real-world applications. Experiments show its superiority against state-of-the-art graph matching learning methods.
Knowledge graph is a popular format for representing knowledge, with many applications to semantic search engines, question-answering systems, and recommender systems. Real-world knowledge graphs are usually incomplete, so knowledge graph embedding methods, such as Canonical decomposition/Parallel factorization (CP), DistMult, and ComplEx, have been proposed to address this issue. These methods represent entities and relations as embedding vectors in semantic space and predict the links between them. The embedding vectors themselves contain rich semantic information and can be used in other applications such as data analysis. However, mechanisms in these models and the embedding vectors themselves vary greatly, making it difficult to understand and compare them. Given this lack of understanding, we risk using them ineffectively or incorrectly, particularly for complicated models, such as CP, with two role-based embedding vectors, or the state-of-the-art ComplEx model, with complex-valued embedding vectors. In this paper, we propose a multi-embedding interaction mechanism as a new approach to uniting and generalizing these models. We derive them theoretically via this mechanism and provide empirical analyses and comparisons between them. We also propose a new multi-embedding model based on quaternion algebra and show that it achieves promising results using popular benchmarks. Source code is available on GitHub at https://github.com/tranhungnghiep/AnalyzeKGE.