Low-dimensional embeddings of nodes in large graphs have proved extremely useful in a variety of prediction tasks, from content recommendation to identifying protein functions. However, most existing approaches require that all nodes in the graph are present during training of the embeddings; these previous approaches are inherently transductive and do not naturally generalize to unseen nodes. Here we present GraphSAGE, a general, inductive framework that leverages node feature information (e.g., text attributes) to efficiently generate node embeddings for previously unseen data. Instead of training individual embeddings for each node, we learn a function that generates embeddings by sampling and aggregating features from a node's local neighborhood. Our algorithm outperforms strong baselines on three inductive node-classification benchmarks: we classify the category of unseen nodes in evolving information graphs based on citation and Reddit post data, and we show that our algorithm generalizes to completely unseen graphs using a multi-graph dataset of protein-protein interactions.
University of California, Los Angeles（加利福尼亚大学洛杉矶分校）；Purdue University（普渡大学）
We introduce a novel approach to graph-level representation learning, which is to embed an entire graph into a vector space where the embeddings of two graphs preserve their graph-graph proximity. Our approach, UGRAPHEMB, is a general framework that provides a novel means to performing graph-level embedding in a completely unsupervised and inductive manner. The learned neural network can be considered as a function that receives any graph as input, either seen or unseen in the training set, and transforms it into an embedding. A novel graph-level embedding generation mechanism called Multi-Sca…
Inductive representation learning on temporal graphs is an important step toward salable machine learning on real-world dynamic networks. The evolving nature of temporal dynamic graphs requires handling new nodes as well as capturing temporal patterns. The node embeddings, which are now functions of time, should represent both the static node features and the evolving topological structures. Moreover, node and topological features can be temporal as well, whose patterns the node embeddings should also capture. We propose the temporal graph attention (TGAT) layer to efficiently aggregate tempor…
Temporal networks serve as abstractions of many real-world dynamic systems. These networks typically evolve according to certain laws, such as the law of triadic closure, which is universal in social networks. Inductive representation learning of temporal networks should be able to capture such laws and further be applied to systems that follow the same laws but have not been unseen during the training stage. Previous works in this area depend on either network node identities or rich edge attributes and typically fail to extract these laws. Here, we propose Causal Anonymous Walks (CAWs) to in…
Graphs (networks) are ubiquitous and allow us to model entities (nodes) and the dependencies (edges) between them. Learning a useful feature representation from graph data lies at the heart and success of many machine learning tasks such as classification, anomaly detection, link prediction, among many others. Many existing techniques use random walks as a basis for learning features or estimating the parameters of a graph model for a downstream prediction task. Examples include recent node embedding methods such as DeepWalk, node2vec, as well as graph-based deep learning algorithms. However, …
With the resurgence of interest in neural networks, representation learning has re-emerged as a central focus in artificial intelligence. Representation learning refers to the discovery of useful encodings of data that make domain-relevant information explicit. Factorial representations identify underlying independent causal factors of variation in data. A factorial representation is compact and faithful, makes the causal factors explicit, and facilitates human interpretation of data. Factorial representations support a variety of applications, including the generation of novel examples, index…
Graph Condensation for Inductive Node Representation Learning
The University of Queensland（昆士兰大学）；German Research Centre for Artificial Intelligence (DFKI)（德国人工智能研究中心）；Peking University（北京大学）；National Engineering Laboratory for Big Data Analysis and Applications（大数据分析与应用国家工程实验室）；Griffith University（格里菲斯大学）；University of Electronic Science and Technology of China（电子科技大学）
Soochow University（苏州大学）；Monash University（莫纳什大学）；The University of Queensland（昆士兰大学）
Inductive link prediction (ILP) is to predict links for unseen entities in emerging knowledge graphs (KGs), considering the evolving nature of KGs. A more challenging scenario is that emerging KGs consist of only unseen entities, called as disconnected emerging KGs (DEKGs). Existing studies for DEKGs only focus on predicting enclosing links, i.e., predicting links inside the emerging KG. The bridging links, which carry the evolutionary information from the original KG to DEKG, have not been investigated by previous work so far. To fill in the gap, we propose a novel model entitled DEKG-ILP (Di…
Sun Yat-sen University（中山大学）；Galixir Technologies Ltd（Galixir科技有限公司）
Illuminating the interconnections between drugs and genes is an important topic in drug development and precision medicine. Currently, computational predictions of drug-gene interactions mainly focus on the binding interactions without considering other relation types like agonist, antagonist, etc. In addition, existing methods either heavily rely on high-quality domain features or are intrinsically transductive, which limits the capacity of models to generalize to drugs/genes that lack external information or are unseen during the training process. To address these problems, we propose a nove…
Wangxuan Institute of Computer Technology, Peking University（北京大学王选计算机研究所）；T. J. Watson Research Center, IBM（IBM托马斯·J·沃森研究中心）；Stony Brook University（石溪大学）
In recent years, algebraic topology and its modern development, the theory of persistent homology, has shown great potential in graph representation learning. In this paper, based on the mathematics of algebraic topology, we propose a novel solution for inductive relation prediction, an important learning task for knowledge graph completion. To predict the relation between two entities, one can use the existence of rules, namely a sequence of relations. Previous works view rules as paths and primarily focus on the searching of paths between entities. The space of rules is huge, and one has to …
We consider the problem of learning latent features (aka embedding) for users and items in a recommendation setting. Given only a user-item interaction graph, the goal is to recommend items for each user. Traditional approaches employ matrix factorization-based collaborative filtering methods. Recent methods using graph convolutional networks (e.g., LightGCN) achieve state-of-the-art performance. They learn both user and item embedding. One major drawback of most existing methods is that they are not inductive; they do not generalize for users and items unseen during training. Besides, existin…
Contrastive learning is a popular form of self-supervised learning that encourages augmentations (views) of the same input to have more similar representations compared to augmentations of different inputs. Recent attempts to theoretically explain the success of contrastive learning on downstream classification tasks prove guarantees depending on properties of {\em augmentations} and the value of {\em contrastive loss} of representations. We demonstrate that such analyses, that ignore {\em inductive biases} of the function class and training algorithm, cannot adequately explain the success of …
Shanghai Jiao Tong University（上海交通大学）；Shenzhen Institute of Artificial Intelligence and Robotics for Society（深圳人工智能与机器人研究院）；The Chinese University of Hong Kong, Shenzhen（香港中文大学（深圳））
Recommendation models can effectively estimate underlying user interests and predict one's future behaviors by factorizing an observed user-item rating matrix into products of two sets of latent factors. However, the user-specific embedding factors can only be learned in a transductive way, making it difficult to handle new users on-the-fly. In this paper, we propose an inductive collaborative filtering framework that contains two representation models. The first model follows conventional matrix factorization which factorizes a group of key users' rating matrix to obtain meta latents. The sec…
In this paper, we study the problem of node representation learning with graph neural networks. We present a graph neural network class named recurrent graph neural network (RGNN), that address the shortcomings of prior methods. By using recurrent units to capture the long-term dependency across layers, our methods can successfully identify important information during recursive neighborhood expansion. In our experiments, we show that our model class achieves state-of-the-art results on three benchmarks: the Pubmed, Reddit, and PPI network datasets. Our in-depth analyses also demonstrate that …
Semi-supervised node classification on graphs is an important research problem, with many real-world applications in information retrieval such as content classification on a social network and query intent classification on an e-commerce query graph. While traditional approaches are largely transductive, recent graph neural networks (GNNs) integrate node features with network structures, thus enabling inductive node classification models that can be applied to new nodes or even new graphs in the same feature space. However, inter-graph differences still exist across graphs within the same dom…
Fully-inductive Node Classification on Arbitrary Graphs
Mila - Québec AI Institute（米拉-魁北克人工智能研究所）；Université de Montréal（蒙特利尔大学）；Google Research（谷歌研究院）；Intel Labs（英特尔实验室）；University of Oxford（牛津大学）；AITHYRA（艾西拉）；HEC Montréal（蒙特利尔高等商学院）；CIFAR AI Chair（加拿大高级研究所人工智能主席职位）
Methods that learn representations of nodes in a graph play a critical role in network analysis since they enable many downstream learning tasks. We propose Graph2Gauss - an approach that can efficiently learn versatile node embeddings on large scale (attributed) graphs that show strong performance on tasks such as link prediction and node classification. Unlike most approaches that represent nodes as point vectors in a low-dimensional continuous space, we embed each node as a Gaussian distribution, allowing us to capture uncertainty about the representation. Furthermore, we propose an unsuper…
The University of Queensland（昆士兰大学）；King Abdullah University of Science and Technology（阿卜杜拉国王科技大学）；Alibaba AI Labs（阿里巴巴人工智能实验室）
With the ubiquitous graph-structured data in various applications, models that can learn compact but expressive vector representations of nodes have become highly desirable. Recently, bearing the message passing paradigm, graph neural networks (GNNs) have greatly advanced the performance of node representation learning on graphs. However, a majority class of GNNs are only designed for homogeneous graphs, leading to inferior adaptivity to the more informative heterogeneous graphs with various types of nodes and edges. Also, despite the necessity of inductively producing representations for comp…
Peking University（北京大学）；University of Illinois at Chicago（伊利诺伊大学芝加哥分校）；Tsinghua University（清华大学）
Graph representation learning aims at transforming graph data into meaningful low-dimensional vectors to facilitate the employment of machine learning and data mining algorithms designed for general data. Most current graph representation learning approaches are transductive, which means that they require all the nodes in the graph are known when learning graph representations and these approaches cannot naturally generalize to unseen nodes. In this paper, we present a Fast Inductive Graph Representation Learning framework (FI-GRL) to learn nodes' low-dimensional representations. Our approach …
University of New South Wales（新南威尔士大学）；University of Science and Technology of China（中国科学技术大学）；The Chinese University of Hong Kong（香港中文大学）
Predicting the link between two nodes is a fundamental problem for graph data analytics. In attributed graphs, both the structure and attribute information can be utilized for link prediction. Most existing studies focus on transductive link prediction where both nodes are already in the graph. However, many real-world applications require inductive prediction for new nodes having only attribute information. It is more challenging since the new nodes do not have structure information and cannot be seen during the model training. To solve this problem, we propose a model called DEAL, which cons…
King Abdullah University of Science and Technology（阿卜杜拉国王科技大学）；SDAIA-KAUST Center of Excellence in Data Science and Artificial Intelligence（沙特数据与人工智能局-阿卜杜拉国王科技大学数据科学与人工智能卓越中心）；Iowa State University（爱荷华州立大学）；Computational Bioscience Research Center（计算生物科学研究中心）
Many network applications can be formulated as NP-hard combinatorial optimization problems of community detection (CD). Due to the NP-hardness, to balance the CD quality and efficiency remains a challenge. Most existing CD methods are transductive, which are independently optimized only for the CD on a single graph. Some of these methods use advanced machine learning techniques to obtain high-quality CD results but usually have high complexity. Other approaches use fast heuristic approximation to ensure low runtime but may suffer from quality degradation. In contrast to these transductive meth…
The University of Hong Kong（香港大学）；The Hong Kong Polytechnic University（香港理工大学）；Harbin Institute of Technology（哈尔滨工业大学）
The high cost of data labeling often results in node label shortage in real applications. To improve node classification accuracy, graph-based semi-supervised learning leverages the ample unlabeled nodes to train together with the scarce available labeled nodes. However, most existing methods require the information of all nodes, including those to be predicted, during model training, which is not practical for dynamic graphs with newly added nodes. To address this issue, an adversarially regularized graph attention model is proposed to classify newly added nodes in a partially labeled graph. …
An important aspect of preventing fake news dissemination is to proactively detect the likelihood of its spreading. Research in the domain of fake news spreader detection has not been explored much from a network analysis perspective. In this paper, we propose a graph neural network based approach to identify nodes that are likely to become spreaders of false information. Using the community health assessment model and interpersonal trust we propose an inductive representation learning framework to predict nodes of densely-connected community structures that are most likely to spread fake news…
