Recently, there has been great success in applying deep neural networks on graph structured data. Most work, however, focuses on either node- or graph-level supervised learning, such as node, link or graph classification or node-level unsupervised learning (e.g. node clustering). Despite its wide range of possible applications, graph-level unsupervised learning has not received much attention yet. This might be mainly attributed to the high representation complexity of graphs, which can be represented by n! equivalent adjacency matrices, where n is the number of nodes. In this work we address this issue by proposing a permutation-invariant variational autoencoder for graph structured data. Our proposed model indirectly learns to match the node ordering of input and output graph, without imposing a particular node ordering or performing expensive graph matching. We demonstrate the effectiveness of our proposed model on various graph reconstruction and generation tasks and evaluate the expressive power of extracted representations for downstream graph-level classification and regression.
The effective deployment of connected vehicular networks is contingent upon maintaining a desired performance across spatial and temporal domains. In this paper, a graph-based framework, called SMART, is proposed to model and keep track of the spatial and temporal statistics of vehicle-to-infrastructure (V2I) communication latency across a large geographical area. SMART first formulates the spatio-temporal performance of a vehicular network as a graph in which each vertex corresponds to a subregion consisting of a set of neighboring location points with similar statistical features of V2I latency and each edge represents the spatio-correlation between latency statistics of two connected vertices. Motivated by the observation that the complete temporal and spatial latency performance of a vehicular network can be reconstructed from a limited number of vertices and edge relations, we develop a graph reconstruction-based approach using a graph convolutional network integrated with a deep Q-networks algorithm in order to capture the spatial and temporal statistic of feature map pf latency performance for a large-scale vehicular network. Extensive simulations have been conducted based on a five-month latency measurement study on a commercial LTE network. Our results show that the proposed method can significantly improve both the accuracy and efficiency for modeling and reconstructing the latency performance of large vehicular networks.
Graph neural networks have been widely used on modeling graph data, achieving impressive results on node classification and link prediction tasks. Yet, obtaining an accurate representation for a graph further requires a pooling function that maps a set of node representations into a compact form. A simple sum or average over all node representations considers all node features equally without consideration of their task relevance, and any structural dependencies among them. Recently proposed hierarchical graph pooling methods, on the other hand, may yield the same representation for two different graphs that are distinguished by the Weisfeiler-Lehman test, as they suboptimally preserve information from the node features. To tackle these limitations of existing graph pooling methods, we first formulate the graph pooling problem as a multiset encoding problem with auxiliary information about the graph structure, and propose a Graph Multiset Transformer (GMT) which is a multi-head attention based global pooling layer that captures the interaction between nodes according to their structural dependencies. We show that GMT satisfies both injectiveness and permutation invariance, such that it is at most as powerful as the Weisfeiler-Lehman graph isomorphism test. Moreover, our methods can be easily extended to the previous node clustering approaches for hierarchical graph pooling. Our experimental results show that GMT significantly outperforms state-of-the-art graph pooling methods on graph classification benchmarks with high memory and time efficiency, and obtains even larger performance gain on graph reconstruction and generation tasks.
Network homophily, the tendency of similar nodes to be connected, and transitivity, the tendency of two nodes being connected if they share a common neighbor, are conflated properties in network analysis, since one mechanism can drive the other. Here we present a generative model and corresponding inference procedure that are capable of distinguishing between both mechanisms. Our approach is based on a variation of the stochastic block model (SBM) with the addition of triadic closure edges, and its inference can identify the most plausible mechanism responsible for the existence of every edge in the network, in addition to the underlying community structure itself. We show how the method can evade the detection of spurious communities caused solely by the formation of triangles in the network, and how it can improve the performance of edge prediction when compared to the pure version of the SBM without triadic closure.
Learning low-dimensional representations on graphs has proved to be effective in various downstream tasks. However, noises prevail in real-world networks, which compromise networks to a large extent in that edges in networks propagate noises through the whole network instead of only the node itself. While existing methods tend to focus on preserving structural properties, the robustness of the learned representations against noises is generally ignored. In this paper, we propose a novel framework to learn noise-free node representations and eliminate noises simultaneously. Since noises are often unknown on real graphs, we design two generators, namely a graph generator and a noise generator, to identify normal structures and noises in an unsupervised setting. On the one hand, the graph generator serves as a unified scheme to incorporate any useful graph prior knowledge to generate normal structures. We illustrate the generative process with community structures and power-law degree distributions as examples. On the other hand, the noise generator generates graph noises not only satisfying some fundamental properties but also in an adaptive way. Thus, real noises with arbitrary distributions can be handled successfully. Finally, in order to eliminate noises and obtain noise-free node representations, two generators need to be optimized jointly, and through maximum likelihood estimation, we equivalently convert the model into imposing different regularization constraints on the true graph and noises respectively. Our model is evaluated on both real-world and synthetic data. It outperforms other strong baselines for node classification and graph reconstruction tasks, demonstrating its ability to eliminate graph noises.
Graph neural networks (GNNs) are emerging machine learning models on graphs. Permutation-equivariance and proximity-awareness are two important properties highly desirable for GNNs. Both properties are needed to tackle some challenging graph problems, such as finding communities and leaders. In this paper, we first analytically show that the existing GNNs, mostly based on the message-passing mechanism, cannot simultaneously preserve the two properties. Then, we propose Stochastic Message Passing (SMP) model, a general and simple GNN to maintain both proximity-awareness and permutation-equivariance. In order to preserve node proximities, we augment the existing GNNs with stochastic node representations. We theoretically prove that the mechanism can enable GNNs to preserve node proximities, and at the same time, maintain permutation-equivariance with certain parametrization. We report extensive experimental results on ten datasets and demonstrate the effectiveness and efficiency of SMP for various typical graph mining tasks, including graph reconstruction, node classification, and link prediction.
Capturing global contextual representations by exploiting long-range pixel-pixel dependencies has shown to improve semantic segmentation performance. However, how to do this efficiently is an open question as current approaches of utilising attention schemes or very deep models to increase the models field of view, result in complex models with large memory consumption. Inspired by recent work on graph neural networks, we propose the Self-Constructing Graph (SCG) module that learns a long-range dependency graph directly from the image and uses it to propagate contextual information efficiently to improve semantic segmentation. The module is optimised via a novel adaptive diagonal enhancement method and a variational lower bound that consists of a customized graph reconstruction term and a Kullback-Leibler divergence regularization term. When incorporated into a neural network (SCG-Net), semantic segmentation is performed in an end-to-end manner and competitive performance (mean F1-scores of 92.0% and 89.8% respectively) on the publicly available ISPRS Potsdam and Vaihingen datasets is achieved, with much fewer parameters, and at a lower computational cost compared to related pure convolutional neural network (CNN) based models.
Learning low-dimensional topological representation of a network in dynamic environments is attracting much attention due to the time-evolving nature of many real-world networks. The main and common objective of Dynamic Network Embedding (DNE) is to efficiently update node embeddings while preserving network topology at each time step. The idea of most existing DNE methods is to capture the topological changes at or around the most affected nodes (instead of all nodes) and accordingly update node embeddings. Unfortunately, this kind of approximation, although can improve efficiency, cannot effectively preserve the global topology of a dynamic network at each time step, due to not considering the inactive sub-networks that receive accumulated topological changes propagated via the high-order proximity. To tackle this challenge, we propose a novel node selecting strategy to diversely select the representative nodes over a network, which is coordinated with a new incremental learning paradigm of Skip-Gram based embedding approach. The extensive experiments show GloDyNE, with a small fraction of nodes being selected, can already achieve the superior or comparable performance w.r.t. the state-of-the-art DNE methods in three typical downstream tasks. Particularly, GloDyNE significantly outperforms other methods in the graph reconstruction task, which demonstrates its ability of global topology preservation. The source code is available at https://github.com/houchengbin/GloDyNE
Motivation: Molecular interaction networks summarize complex biological processes as graphs, whose structure is informative of biological function at multiple scales. Simultaneously, omics technologies measure the variation or activity of genes, proteins, or metabolites across individuals or experimental conditions. Integrating the complementary viewpoints of biological networks and omics data is an important task in bioinformatics, but existing methods treat networks as discrete structures, which are intrinsically difficult to integrate with continuous node features or activity measures. Graph neural networks map graph nodes into a low-dimensional vector space representation, and can be trained to preserve both the local graph structure and the similarity between node features. Results: We studied the representation of transcriptional, protein-protein and genetic interaction networks in E. Coli and mouse using graph neural networks. We found that such representations explain a large proportion of variation in gene expression data, and that using gene expression data as node features improves the reconstruction of the graph from the embedding. We further proposed a new end-to-end graph feature auto-encoder which is trained on the feature reconstruction task, and showed that it performs better at predicting unobserved node features than auto-encoders that are trained on the graph reconstruction task before learning to predict node features. When applied to the problem of imputing missing data in single-cell RNAseq data, our graph feature auto-encoder outperformed a state-of-the-art imputation method that does not use protein interaction information, showing the benefit of integrating biological networks and omics data using graph representation learning.
Graph Neural Networks (GNNs) have received increasing attention in many fields. However, due to the lack of prior graphs, their use for semantic labeling has been limited. Here, we propose a novel architecture called the Self-Constructing Graph (SCG), which makes use of learnable latent variables to generate embeddings and to self-construct the underlying graphs directly from the input features without relying on manually built prior knowledge graphs. SCG can automatically obtain optimized non-local context graphs from complex-shaped objects in aerial imagery. We optimize SCG via an adaptive diagonal enhancement method and a variational lower bound that consists of a customized graph reconstruction term and a Kullback-Leibler divergence regularization term. We demonstrate the effectiveness and flexibility of the proposed SCG on the publicly available ISPRS Vaihingen dataset and our model SCG-Net achieves competitive results in terms of F1-score with much fewer parameters and at a lower computational cost compared to related pure-CNN based work. Our code will be made public soon.
Graph autoencoders (GAEs) are powerful tools in representation learning for graph embedding. However, the performance of GAEs is very dependent on the quality of the graph structure, i.e., of the adjacency matrix. In other words, GAEs would perform poorly when the adjacency matrix is incomplete or be disturbed. In this paper, two novel unsupervised graph embedding methods, unsupervised graph embedding via adaptive graph learning (BAGE) and unsupervised graph embedding via variational adaptive graph learning (VBAGE) are proposed. The proposed methods expand the application range of GAEs on graph embedding, i.e, on the general datasets without graph structure. Meanwhile, the adaptive learning mechanism can initialize the adjacency matrix without be affected by the parameter. Besides that, the latent representations are embedded in the laplacian graph structure to preserve the topology structure of the graph in the vector space. Moreover, the adjacency matrix can be self-learned for better embedding performance when the original graph structure is incomplete. With adaptive learning, the proposed method is much more robust to the graph structure. Experimental studies on several datasets validate our design and demonstrate that our methods outperform baselines by a wide margin in node clustering, node classification, and graph visualization tasks.
This paper tackles a 2D architecture vectorization problem, whose task is to infer an outdoor building architecture as a 2D planar graph from a single RGB image. We provide a new benchmark with ground-truth annotations for 2,001 complex buildings across the cities of Atlanta, Paris, and Las Vegas. We also propose a novel algorithm utilizing 1) convolutional neural networks (CNNs) that detects geometric primitives and infers their relationships and 2) an integer programming (IP) that assembles the information into a 2D planar graph. While being a trivial task for human vision, the inference of a graph structure with an arbitrary topology is still an open problem for computer vision. Qualitative and quantitative evaluations demonstrate that our algorithm makes significant improvements over the current state-of-the-art, towards an intelligent system at the level of human perception. We will share code and data.
Automatic Extraction of road network from satellite images is a goal that can benefit and even enable new technologies. Methods that combine machine learning (ML) and computer vision have been proposed in recent years which make the task semi-automatic by requiring the user to provide curated training samples. The process can be fully automatized if training samples can be produced algorithmically. Of course, this requires a robust algorithm that can reconstruct the road networks from satellite images reliably so that the output can be fed as training samples. In this work, we develop such a technique by infusing a persistence-guided discrete Morse based graph reconstruction algorithm into ML framework. We elucidate our contributions in two phases. First, in a semi-automatic framework, we combine a discrete-Morse based graph reconstruction algorithm with an existing CNN framework to segment input satellite images. We show that this leads to reconstructions with better connectivity and less noise. Next, in a fully automatic framework, we leverage the power of the discrete-Morse based graph reconstruction algorithm to train a CNN from a collection of images without labelled data and use the same algorithm to produce the final output from the segmented images created by the trained CNN. We apply the discrete-Morse based graph reconstruction algorithm iteratively to improve the accuracy of the CNN. We show promising experimental results of this new framework on datasets from SpaceNet Challenge.
Learning topological representation of a network in dynamic environments has recently attracted considerable attention due to the time-evolving nature of many real-world networks i.e. nodes/links might be added/removed as time goes on. Dynamic network embedding aims to learn low dimensional embeddings for unseen and seen nodes by using any currently available snapshots of a dynamic network. For seen nodes, the existing methods either treat them equally important or focus on the $k$ most affected nodes at each time step. However, the former solution is time-consuming, and the later solution that relies on incoming changes may lose the global topology---an important feature for downstream tasks. To address these challenges, we propose a dynamic network embedding method called DynWalks, which includes two key components: 1) An online network embedding framework that can dynamically and efficiently learn embeddings based on the selected nodes; 2) A novel online node selecting scheme that offers the flexible choices to balance global topology and recent changes, as well as to fulfill the real-time constraint if needed. The empirical studies on six real-world dynamic networks under three different slicing ways show that DynWalks significantly outperforms the state-of-the-art methods in graph reconstruction tasks, and obtains comparable results in link prediction tasks. Furthermore, the wall-clock time and complexity analysis demonstrate its excellent time and space efficiency. The source code of DynWalks is available at https://github.com/houchengbin/DynWalks
Given an input graph G and a node v in G, homogeneous network embedding (HNE) maps the graph structure in the vicinity of v to a compact, fixed-dimensional feature vector. This paper focuses on HNE for massive graphs, e.g., with billions of edges. On this scale, most existing approaches fail, as they incur either prohibitively high costs, or severely compromised result utility. Our proposed solution, called Node-Reweighted PageRank (NRP), is based on a classic idea of deriving embedding vectors from pairwise personalized PageRank (PPR) values. Our contributions are twofold: first, we design a simple and efficient baseline HNE method based on PPR that is capable of handling billion-edge graphs on commodity hardware; second and more importantly, we identify an inherent drawback of vanilla PPR, and address it in our main proposal NRP. Specifically, PPR was designed for a very different purpose, i.e., ranking nodes in G based on their relative importance from a source node's perspective. In contrast, HNE aims to build node embeddings considering the whole graph. Consequently, node embeddings derived directly from PPR are of suboptimal utility. The proposed NRP approach overcomes the above deficiency through an effective and efficient node reweighting algorithm, which augments PPR values with node degree information, and iteratively adjusts embedding vectors accordingly. Overall, NRP takes O(mlogn) time and O(m) space to compute all node embeddings for a graph with m edges and n nodes. Our extensive experiments that compare NRP against 18 existing solutions over 7 real graphs demonstrate that NRP achieves higher result utility than all the solutions for link prediction, graph reconstruction and node classification, while being up to orders of magnitude faster. In particular, on a billion-edge Twitter graph, NRP terminates within 4 hours, using a single CPU core.
Effective modeling of electronic health records (EHR) is rapidly becoming an important topic in both academia and industry. A recent study showed that using the graphical structure underlying EHR data (e.g. relationship between diagnoses and treatments) improves the performance of prediction tasks such as heart failure prediction. However, EHR data do not always contain complete structure information. Moreover, when it comes to claims data, structure information is completely unavailable to begin with. Under such circumstances, can we still do better than just treating EHR data as a flat-structured bag-of-features? In this paper, we study the possibility of jointly learning the hidden structure of EHR while performing supervised prediction tasks on EHR data. Specifically, we discuss that Transformer is a suitable basis model to learn the hidden EHR structure, and propose Graph Convolutional Transformer, which uses data statistics to guide the structure learning process. The proposed model consistently outperformed previous approaches empirically, on both synthetic data and publicly available EHR data, for various prediction tasks such as graph reconstruction and readmission prediction, indicating that it can serve as an effective general-purpose representation learning algorithm for EHR data.
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.
Graph embedding technics are studied with interest on public datasets, such as BlogCatalog, with the common practice of maximizing scoring on graph reconstruction, link prediction metrics etc. However, in the financial sector the important metrics are often more business related, for example fraud detection rates. With our privileged position of having large amount of real-world non-public P2P-lending social data, we aim to study empirically whether recent advances in graph embedding technics provide a useful signal for metrics more closely related to business interests, such as fraud detection rate.
Modeling generative process of growing graphs has wide applications in social networks and recommendation systems, where cold start problem leads to new nodes isolated from existing graph. Despite the emerging literature in learning graph representation and graph generation, most of them can not handle isolated new nodes without nontrivial modifications. The challenge arises due to the fact that learning to generate representations for nodes in observed graph relies heavily on topological features, whereas for new nodes only node attributes are available. Here we propose a unified generative graph convolutional network that learns node representations for all nodes adaptively in a generative model framework, by sampling graph generation sequences constructed from observed graph data. We optimize over a variational lower bound that consists of a graph reconstruction term and an adaptive Kullback-Leibler divergence regularization term. We demonstrate the superior performance of our approach on several benchmark citation network datasets.
DynamicGEM is an open-source Python library for learning node representations of dynamic graphs. It consists of state-of-the-art algorithms for defining embeddings of nodes whose connections evolve over time. The library also contains the evaluation framework for four downstream tasks on the network: graph reconstruction, static and temporal link prediction, node classification, and temporal visualization. We have implemented various metrics to evaluate the state-of-the-art methods, and examples of evolving networks from various domains. We have easy-to-use functions to call and evaluate the methods and have extensive usage documentation. Furthermore, DynamicGEM provides a template to add new algorithms with ease to facilitate further research on the topic.