Most graph neural network models learn embeddings of nodes in static attributed graphs for predictive analysis. Recent attempts have been made to learn temporal proximity of the nodes. We find that real dynamic attributed graphs exhibit complex co-evolution of node attributes and graph structure. Learning node embeddings for forecasting change of node attributes and birth and death of links over time remains an open problem. In this work, we present a novel framework called CoEvoGNN for modeling dynamic attributed graph sequence. It preserves the impact of earlier graphs on the current graph by embedding generation through the sequence. It has a temporal self-attention mechanism to model long-range dependencies in the evolution. Moreover, CoEvoGNN optimizes model parameters jointly on two dynamic tasks, attribute inference and link prediction over time. So the model can capture the co-evolutionary patterns of attribute change and link formation. This framework can adapt to any graph neural algorithms so we implemented and investigated three methods based on it: CoEvoGCN, CoEvoGAT, and CoEvoSAGE. Experiments demonstrate the framework (and its methods) outperform strong baselines on predicting an entire unseen graph snapshot of personal attributes and interpersonal links in dynamic social graphs and financial graphs.
Hong Kong University of Science and Technology（香港科技大学）；IBM T. J. Watson Research Center（IBM托马斯·J·沃森研究中心）
Missing node attributes is a common problem in real-world graphs. Graph neural networks have been demonstrated power in graph representation learning while their performance is affected by the completeness of graph information. Most of them are not specified for missing-attribute graphs and fail to leverage incomplete attribute information effectively. In this paper, we propose an innovative node representation learning framework, Wasserstein Graph Neural Network (WGNN), to mitigate the problem. To make the most of limited observed attribute information and capture the uncertainty caused by mi…
Given a node-attributed graph, how can we efficiently represent it with few numerical features that expressively reflect its topology and attribute information? We propose A-DOGE, for Attributed DOS-based Graph Embedding, based on density of states (DOS, a.k.a. spectral density) to tackle this problem. A-DOGE is designed to fulfill a long desiderata of desirable characteristics. Most notably, it capitalizes on efficient approximation algorithms for DOS, that we extend to blend in node labels and attributes for the first time, making it fast and scalable for large attributed graphs and graph da…
Graph embedding methods transform high-dimensional and complex graph contents into low-dimensional representations. They are useful for a wide range of graph analysis tasks including link prediction, node classification, recommendation and visualization. Most existing approaches represent graph nodes as point vectors in a low-dimensional embedding space, ignoring the uncertainty present in the real-world graphs. Furthermore, many real-world graphs are large-scale and rich in content (e.g. node attributes). In this work, we propose GLACE, a novel, scalable graph embedding method that preserves …
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 represen…
Graph neural networks (GNNs) have shown great power in learning on attributed graphs. However, it is still a challenge for GNNs to utilize information faraway from the source node. Moreover, general GNNs require graph attributes as input, so they cannot be appled to plain graphs. In the paper, we propose new models named G-GNNs (Global information for GNNs) to address the above limitations. First, the global structure and attribute features for each node are obtained via unsupervised pre-training, which preserve the global information associated to the node. Then, using the global features and…
Tsinghua University（清华大学）；Beijing University of Posts and Telecommunications（北京邮电大学）
Attributed graph embedding, which learns vector representations from graph topology and node features, is a challenging task for graph analysis. Recently, methods based on graph convolutional networks (GCNs) have made great progress on this task. However,existing GCN-based methods have three major drawbacks. Firstly,our experiments indicate that the entanglement of graph convolutional filters and weight matrices will harm both the performance and robustness. Secondly, we show that graph convolutional filters in these methods reveal to be special cases of generalized Laplacian smoothing filters…
Node classification in attributed graphs is an important task in multiple practical settings, but it can often be difficult or expensive to obtain labels. Active learning can improve the achieved classification performance for a given budget on the number of queried labels. The best existing methods are based on graph neural networks, but they often perform poorly unless a sizeable validation set of labelled nodes is available in order to choose good hyperparameters. We propose a novel graph-based active learning algorithm for the task of node classification in attributed graphs; our algorithm…
Generalization, Expressivity, and Universality of Graph Neural Networks on Attributed Graphs
Technion – IIT Faculty of Mathematics（技术学院-理工学院数学系）；MIT Dept of EECS and CSAIL（麻省理工学院电子工程与计算机科学系和计算机科学与人工智能实验室）；TUM School of CIT MCML MDSI（技术大学计算机信息科技学院MCML MDSI）
Shanghai Jiao Tong University（上海交通大学）；Australian Artificial Intelligence Institute（澳大利亚人工智能研究所）；University of Technology Sydney（悉尼科技大学）；Mitsubishi Electric Research Laboratories（三菱电机研究实验室）；Alibaba Group（阿里巴巴集团）；Texas University（得克萨斯大学）
Graphs with complete node attributes have been widely explored recently. While in practice, there is a graph where attributes of only partial nodes could be available and those of the others might be entirely missing. This attribute-missing graph is related to numerous real-world applications and there are limited studies investigating the corresponding learning problems. Existing graph learning methods including the popular GNN cannot provide satisfied learning performance since they are not specified for attribute-missing graphs. Thereby, designing a new GNN for these graphs is a burning iss…
Heterogeneous Attributed Graph Learning via Neighborhood-Aware Star Kernels
Key Laboratory of System Software (Chinese Academy of Sciences)（系统软件重点实验室（中国科学院））；State Key Laboratory of Computer Science（计算机科学国家重点实验室）；Institute of Software, Chinese Academy of Sciences（中国科学院软件研究所）
The Chinese University of Hong Kong（香港中文大学）；Tencent AI Lab（腾讯人工智能实验室）；Hong Kong Baptist University（香港浸会大学）
Given one or more query vertices, Community Search (CS) aims to find densely intra-connected and loosely inter-connected structures containing query vertices. Attributed Community Search (ACS), a related problem, is more challenging since it finds communities with both cohesive structures and homogeneous vertex attributes. However, most methods for the CS task rely on inflexible pre-defined structures and studies for ACS treat each attribute independently. Moreover, the most popular ACS strategies decompose ACS into two separate sub-problems, i.e., the CS task and subsequent attribute filterin…
Many real-world data can be modeled as heterogeneous graphs that contain multiple types of nodes and edges. Meanwhile, due to excellent performance, heterogeneous graph neural networks (GNNs) have received more and more attention. However, the existing work mainly focuses on the design of novel GNN models, while ignoring another important issue that also has a large impact on the model performance, namely the missing attributes of some node types. The handcrafted attribute completion requires huge expert experience and domain knowledge. Also, considering the differences in semantic characteris…
Graph neural networks (GNNs) have shown great power in modeling graph structured data. However, similar to other machine learning models, GNNs may make predictions biased on protected sensitive attributes, e.g., skin color and gender. Because machine learning algorithms including GNNs are trained to reflect the distribution of the training data which often contains historical bias towards sensitive attributes. In addition, the discrimination in GNNs can be magnified by graph structures and the message-passing mechanism. As a result, the applications of GNNs in sensitive domains such as crime r…
Disentangling Node Attributes from Graph Topology for Improved Generalizability in Link Prediction
Network Science Institute（网络科学研究所）；Northeastern University（东北大学）；Khoury College of Computer Sciences（库利计算机科学学院）；Brigham and Women’s Hospital（布莱根妇女医院）；Harvard Medical School（哈佛医学院）
Mila - Québec AI Institute（米拉-魁北克人工智能研究所）；Microsoft Research Asia（微软亚洲研究院）；Université de Montréal（蒙特利尔大学）；Central South University（中南大学）；Sea AI Lab（冬海集团人工智能实验室）；Dalian University of Technology（大连理工大学）；HEC Montréal（蒙特利尔高等商学院）；Canadian Institute for Advanced Research (CIFAR)（加拿大高等研究院）
This paper studies learning on text-attributed graphs (TAGs), where each node is associated with a text description. An ideal solution for such a problem would be integrating both the text and graph structure information with large language models and graph neural networks (GNNs). However, the problem becomes very challenging when graphs are large due to the high computational complexity brought by training large language models and GNNs together. In this paper, we propose an efficient and effective solution to learning on large text-attributed graphs by fusing graph structure and language lea…
University of Illinois at Urbana-Champaign（伊利诺伊大学厄巴纳-香槟分校）
We present InfoMotif, a new semi-supervised, motif-regularized, learning framework over graphs. We overcome two key limitations of message passing in popular graph neural networks (GNNs): localization (a k-layer GNN cannot utilize features outside the k-hop neighborhood of the labeled training nodes) and over-smoothed (structurally indistinguishable) representations. We propose the concept of attributed structural roles of nodes based on their occurrence in different network motifs, independent of network proximity. Two nodes share attributed structural roles if they participate in topological…
School of Computer Science, Wuhan University（武汉大学计算机学院）；Department of Computing, The Hong Kong Polytechnic University（香港理工大学计算学系）
Matrix completion is a classic problem underlying recommender systems. It is traditionally tackled with matrix factorization. Recently, deep learning based methods, especially graph neural networks, have made impressive progress on this problem. Despite their effectiveness, existing methods focus on modeling the user-item interaction graph. The inherent drawback of such methods is that their performance is bound to the density of the interactions, which is however usually of high sparsity. More importantly, for a cold start user/item that does not have any interactions, such methods are unable…
Graph representation learning (GRL) on attribute-missing graphs, which is a common yet challenging problem, has recently attracted considerable attention. We observe that existing literature: 1) isolates the learning of attribute and structure embedding thus fails to take full advantages of the two types of information; 2) imposes too strict distribution assumption on the latent space variables, leading to less discriminative feature representations. In this paper, based on the idea of introducing intimate information interaction between the two information sources, we propose our Siamese Attr…
Zhejiang University（浙江大学）；AI Lab, School of Engineering（工程学院AI实验室）；Westlake University（西湖大学）
Unsupervised attributed graph representation learning is challenging since both structural and feature information are required to be represented in the latent space. Existing methods concentrate on learning latent representation via reconstruction tasks, but cannot directly optimize representation and are prone to oversmoothing, thus limiting the applications on downstream tasks. To alleviate these issues, we propose a novel graph embedding framework named Deep Manifold Attributed Graph Embedding (DMAGE). A node-to-node geodesic similarity is proposed to compute the inter-node similarity betw…
University of Tehran（德黑兰大学）；Qatar Computing Research Institute (QCRI)（卡塔尔计算研究所）
Inferring road attributes such as lane count and road type from satellite imagery is challenging. Often, due to the occlusion in satellite imagery and the spatial correlation of road attributes, a road attribute at one position on a road may only be apparent when considering far-away segments of the road. Thus, to robustly infer road attributes, the model must integrate scattered information and capture the spatial correlation of features along roads. Existing solutions that rely on image classifiers fail to capture this correlation, resulting in poor accuracy. We find this failure is caused b…
Emory University（埃默里大学）；University of Illinois at Urbana-Champaign（伊利诺伊大学厄巴纳-香槟分校）；Purdue University（普渡大学）
Graph neural networks (GNNs) have been widely used in various graph-related problems such as node classification and graph classification, where superior performance is mainly established when natural node features are available. However, it is not well understood how GNNs work without natural node features, especially regarding the various ways to construct artificial ones. In this paper, we point out the two types of artificial node features, i.e., positional and structural node features, and provide insights on why each of them is more appropriate for certain tasks, i.e., positional node cl…
Graphs as a type of data structure have recently attracted significant attention. Representation learning of geometric graphs has achieved great success in many fields including molecular, social, and financial networks. It is natural to present proteins as graphs in which nodes represent the residues and edges represent the pairwise interactions between residues. However, 3D protein structures have rarely been studied as graphs directly. The challenges include: 1) Proteins are complex macromolecules composed of thousands of atoms making them much harder to model than micro-molecules. 2) Captu…
While state-of-the-art kernels for graphs with discrete labels scale well to graphs with thousands of nodes, the few existing kernels for graphs with continuous attributes, unfortunately, do not scale well. To overcome this limitation, we present hash graph kernels, a general framework to derive kernels for graphs with continuous attributes from discrete ones. The idea is to iteratively turn continuous attributes into discrete labels using randomized hash functions. We illustrate hash graph kernels for the Weisfeiler-Lehman subtree kernel and for the shortest-path kernel. The resulting novel g…
Graph structured data provide two-fold information: graph structures and node attributes. Numerous graph-based algorithms rely on both information to achieve success in supervised tasks, such as node classification and link prediction. However, node attributes could be missing or incomplete, which significantly deteriorates the performance. The task of node attribute generation aims to generate attributes for those nodes whose attributes are completely unobserved. This task benefits many real-world problems like profiling, node classification and graph data augmentation. To tackle this task, w…
NTT Software Innovation Center（NTT软件创新中心）；NTT Secure Platform Laboratories（NTT安全平台实验室）；NTT Communication Science Laboratories（NTT通信科学实验室）
We propose a simple yet effective method for detecting anomalous instances on an attribute graph with label information of a small number of instances. Although with standard anomaly detection methods it is usually assumed that instances are independent and identically distributed, in many real-world applications, instances are often explicitly connected with each other, resulting in so-called attributed graphs. The proposed method embeds nodes (instances) on the attributed graph in the latent space by taking into account their attributes as well as the graph structure based on graph convoluti…
Texas A&M University（德州农工大学）；Jilin University（吉林大学）；Key Laboratory of Symbolic Computation and Knowledge Engineering of Ministry of Education, China（中国教育部符号计算与知识工程重点实验室）
Attributed graphs, which contain rich contextual features beyond just network structure, are ubiquitous and have been observed to benefit various network analytics applications. Graph structure optimization, aiming to find the optimal graphs in terms of some specific measures, has become an effective computational tool in complex network analysis. However, traditional model-free methods suffer from the expensive computational cost of evaluating graphs; existing vectorial Bayesian optimization methods cannot be directly applied to attributed graphs and have the scalability issue due to the use …
Graph convolutional neural networks (GCNNs) have been attracting increasing research attention due to its great potential in inference over graph structures. However, insufficient effort has been devoted to the aggregation methods between different convolution graph layers. In this paper, we introduce a graph attribute aggregation network (GAAN) architecture. Different from the conventional pooling operations, a graph-transformation-based aggregation strategy, progressive margin folding, PMF, is proposed for integrating graph features. By distinguishing internal and margin elements, we provide…
Attributed graph clustering is challenging as it requires joint modelling of graph structures and node attributes. Recent progress on graph convolutional networks has proved that graph convolution is effective in combining structural and content information, and several recent methods based on it have achieved promising clustering performance on some real attributed networks. However, there is limited understanding of how graph convolution affects clustering performance and how to properly use it to optimize performance for different graphs. Existing methods essentially use graph convolution o…
Bridge the Gaps: Heterogeneous Attributed Graph Clustering via Quaternion Representation Learning
School of Computer Science and Technology, Guangdong University of Technology（广东工业大学计算机科学与技术学院）；Tsinghua University（清华大学）；BH-Energy Technology Co., Ltd.（BH-Energy科技有限公司）；Shenzhen MSU-BIT University（深圳北理莫斯科大学）
The existing literature on knowledge graph completion mostly focuses on the link prediction task. However, knowledge graphs have an additional incompleteness problem: their nodes possess numerical attributes, whose values are often missing. Our approach, denoted as MrAP, imputes the values of missing attributes by propagating information across the multi-relational structure of a knowledge graph. It employs regression functions for predicting one node attribute from another depending on the relationship between the nodes and the type of the attributes. The propagation mechanism operates iterat…
University of California, Santa Barbara（加利福尼亚大学圣巴巴拉分校）；Ludwig-Maximilians-Universität München（路德维希-马克西米利安慕尼黑大学）；University of Vienna（维也纳大学）
Graph clustering has been studied extensively on both plain graphs and attributed graphs. However, all these methods need to partition the whole graph to find cluster structures. Sometimes, based on domain knowledge, people may have information about a specific target region in the graph and only want to find a single cluster concentrated on this local region. Such a task is called local clustering. In contrast to global clustering, local clustering aims to find only one cluster that is concentrating on the given seed vertex (and also on the designated attributes for attributed graphs). Curren…
