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 temporal-topological neighborhood features as well as to learn the time-feature interactions. For TGAT, we use the self-attention mechanism as building block and develop a novel functional time encoding technique based on the classical Bochner's theorem from harmonic analysis. By stacking TGAT layers, the network recognizes the node embeddings as functions of time and is able to inductively infer embeddings for both new and observed nodes as the graph evolves. The proposed approach handles both node classification and link prediction task, and can be naturally extended to include the temporal edge features. We evaluate our method with transductive and inductive tasks under temporal settings with two benchmark and one industrial dataset. Our TGAT model compares favorably to state-of-the-art baselines as well as the previous temporal graph embedding approaches.
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…
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…
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 tr…
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…
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, …
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…
Model Predictive Controllers (MPC) require a good model for the controlled process. In this paper I infer inductive biases about a physical system. I use these biases to derive a new neural network architecture that can model this real system that has noise and inertia. The main inductive biases exploited here are: the delayed impact of some inputs on the system and the separability between the temporal component and how the inputs interact to produce the output of a system. The inputs are independently delayed using shifted convolutional kernels. Feature interactions are modelled using a full…
University of Southern California（南加州大学）；US Army Research Lab（美国陆军研究实验室）
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 i…
Spatial Reasoning（空间推理）；The DesignSpace Group（设计空间集团）；University of Bremen（不来梅大学）；University of Münster（明斯特大学）
We present an inductive spatio-temporal learning framework rooted in inductive logic programming. With an emphasis on visuo-spatial language, logic, and cognition, the framework supports learning with relational spatio-temporal features identifiable in a range of domains involving the processing and interpretation of dynamic visuo-spatial imagery. We present a prototypical system, and an example application in the domain of computing for visual arts and computational cognitive science.
Technical University of Munich (TUM)（慕尼黑工业大学）；German Center for Vertigo and Balance Disorders (DSGZ), Ludwig-Maximilians-Universität (LMU)（路德维希-马克西米利安大学（LMU）德国眩晕与平衡障碍中心（DSGZ））；Johns Hopkins University（约翰斯·霍普金斯大学）
Clinical diagnostic decision making and population-based studies often rely on multi-modal data which is noisy and incomplete. Recently, several works proposed geometric deep learning approaches to solve disease classification, by modeling patients as nodes in a graph, along with graph signal processing of multi-modal features. Many of these approaches are limited by assuming modality- and feature-completeness, and by transductive inference, which requires re-training of the entire model for each new test sample. In this work, we propose a novel inductive graph-based approach that can generali…
Learning embeddings from large-scale networks is an open challenge. Despite the overwhelming number of existing methods, is is unclear how to exploit network structure in a way that generalizes easily to unseen nodes, edges or graphs. In this work, we look at the problem of finding inductive network embeddings in large networks without domain-dependent node/edge attributes. We propose to use a set of basic predefined local encodings as the basis of a learning algorithm. In particular, we consider the degree frequencies at different distances from a node, which can be computed efficiently for r…
Time series forecasting and spatiotemporal kriging are the two most important tasks in spatiotemporal data analysis. Recent research on graph neural networks has made substantial progress in time series forecasting, while little attention has been paid to the kriging problem -- recovering signals for unsampled locations/sensors. Most existing scalable kriging methods (e.g., matrix/tensor completion) are transductive, and thus full retraining is required when we have a new sensor to interpolate. In this paper, we develop an Inductive Graph Neural Network Kriging (IGNNK) model to recover data fo…
AnchorGK: Anchor-based Incremental and Stratified Graph Learning Framework for Inductive Spatio-Temporal Kriging
School of Computer Science（计算机科学学院）；University of Auckland（奥克兰大学）；Shenzhen Key Laboratory of Internet Information Collaboration（互联网信息协作深圳实验室）；Harbin Institute of Technology, Shenzhen（哈尔滨工业大学深圳学院）
Temporal Inductive Path Neural Network for Temporal Knowledge Graph Reasoning
Computer Network Information Center, Chinese Academy of Sciences（中国科学院计算机网络信息中心）；University of Chinese Academy of Sciences（中国科学院大学）；University of Macau（澳门大学）
Xiamen University（厦门大学）；University of Melbourne（墨尔本大学）；Zhejiang University（浙江大学）
Spatio-temporal kriging is an important problem in web and social applications, such as Web or Internet of Things, where things (e.g., sensors) connected into a web often come with spatial and temporal properties. It aims to infer knowledge for (the things at) unobserved locations using the data from (the things at) observed locations during a given time period of interest. This problem essentially requires \emph{inductive learning}. Once trained, the model should be able to perform kriging for different locations including newly given ones, without retraining. However, it is challenging to pe…
The dominant paradigm for relation prediction in knowledge graphs involves learning and operating on latent representations (i.e., embeddings) of entities and relations. However, these embedding-based methods do not explicitly capture the compositional logical rules underlying the knowledge graph, and they are limited to the transductive setting, where the full set of entities must be known during training. Here, we propose a graph neural network based relation prediction framework, GraIL, that reasons over local subgraph structures and has a strong inductive bias to learn entity-independent r…
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 …
Inductive Graph Alignment Prompt: Bridging the Gap between Graph Pre-training and Inductive Fine-tuning From Spectral Perspective
Peking University（北京大学）；Hong Kong University of Science and Technology（香港科技大学）；Computer Network Information Center, Chinese Academy of Sciences（中国科学院计算机网络信息中心）
Mila（米拉研究所）；McGill University（麦吉尔大学）；LMU Munich（慕尼黑大学）；Harvard Medical School（哈佛医学院）
An emerging trend in representation learning over knowledge graphs (KGs) moves beyond transductive link prediction tasks over a fixed set of known entities in favor of inductive tasks that imply training on one graph and performing inference over a new graph with unseen entities. In inductive setups, node features are often not available and training shallow entity embedding matrices is meaningless as they cannot be used at inference time with unseen entities. Despite the growing interest, there are not enough benchmarks for evaluating inductive representation learning methods. In this work, w…
Although reinforcement learning has been successfully applied in many domains in recent years, we still lack agents that can systematically generalize. While relational inductive biases that fit a task can improve generalization of RL agents, these biases are commonly hard-coded directly in the agent's neural architecture. In this work, we show that we can incorporate relational inductive biases, encoded in the form of relational graphs, into agents. Based on this insight, we propose Grid-to-Graph (GTG), a mapping from grid structures to relational graphs that carry useful spatial relational i…
Washington University in St. Louis（圣路易斯华盛顿大学）；Facebook（脸书）
We propose an inductive matrix completion model without using side information. By factorizing the (rating) matrix into the product of low-dimensional latent embeddings of rows (users) and columns (items), a majority of existing matrix completion methods are transductive, since the learned embeddings cannot generalize to unseen rows/columns or to new matrices. To make matrix completion inductive, most previous works use content (side information), such as user's age or movie's genre, to make predictions. However, high-quality content is not always available, and can be hard to extract. Under t…
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…
Mila（米拉研究所）；McGill University（麦吉尔大学）；Université de Montréal（蒙特利尔大学）；Stanford University（斯坦福大学）；HEC Montréal（蒙特利尔高等商学院）
Formulating and answering logical queries is a standard communication interface for knowledge graphs (KGs). Alleviating the notorious incompleteness of real-world KGs, neural methods achieved impressive results in link prediction and complex query answering tasks by learning representations of entities, relations, and queries. Still, most existing query answering methods rely on transductive entity embeddings and cannot generalize to KGs containing new entities without retraining the entity embeddings. In this work, we study the inductive query answering task where inference is performed on a …
Technische Universität München（慕尼黑工业大学）；German Center for Vertigo and Balance Disorders, Ludwig-Maximilians Universität München（慕尼黑大学德国眩晕与平衡障碍中心）；Johns Hopkins University（约翰斯·霍普金斯大学）
Recently, Geometric Deep Learning (GDL) has been introduced as a novel and versatile framework for computer-aided disease classification. GDL uses patient meta-information such as age and gender to model patient cohort relations in a graph structure. Concepts from graph signal processing are leveraged to learn the optimal mapping of multi-modal features, e.g. from images to disease classes. Related studies so far have considered image features that are extracted in a pre-processing step. We hypothesize that such an approach prevents the network from optimizing feature representations towards a…
University of Science and Technology of China（中国科学技术大学）
Inductive link prediction -- where entities during training and inference stages can be different -- has been shown to be promising for completing continuously evolving knowledge graphs. Existing models of inductive reasoning mainly focus on predicting missing links by learning logical rules. However, many existing approaches do not take into account semantic correlations between relations, which are commonly seen in real-world knowledge graphs. To address this challenge, we propose a novel inductive reasoning approach, namely TACT, which can effectively exploit Topology-Aware CorrelaTions bet…
Ludwig Maximilian University of Munich（慕尼黑大学）；Siemens AG（西门子股份公司）；Technical University of Munich（慕尼黑工业大学）
Knowledge graph completion (KGC) aims to predict the missing links among knowledge graph (KG) entities. Though various methods have been developed for KGC, most of them can only deal with the KG entities seen in the training set and cannot perform well in predicting links concerning novel entities in the test set. Similar problem exists in temporal knowledge graphs (TKGs), and no previous temporal knowledge graph completion (TKGC) method is developed for modeling newly-emerged entities. Compared to KGs, TKGs require temporal reasoning techniques for modeling, which naturally increases the diff…
Variational Graph Auto-Encoder Based Inductive Learning Method for Semi-Supervised Classification
School of Artificial Intelligence, University of Chinese Academy of Sciences（中国科学院大学人工智能学院）；Institute of Automation, Chinese Academy of Sciences（中国科学院自动化研究所）；State Grid Zhejiang Electric Power Co. Ltd.（国网浙江省电力有限公司）
Priors in Time: Missing Inductive Biases for Language Model Interpretability
Goodfire AI；Independent（独立）；SEAS, Harvard University（哈佛大学SEAS学院）；EPFL（瑞士联邦理工学院）；Kempner Institute at Harvard University（哈佛大学凯普内研究所）；Department of Psychology, Stanford University（斯坦福大学心理学系）；Department of Psychology, Harvard University（哈佛大学心理学系）；Decode Research；Boston University（波士顿大学）
Global retailers have assortments that contain hundreds of thousands of products that can be linked by several types of relationships like style compatibility, "bought together", "watched together", etc. Graphs are a natural representation for assortments, where products are nodes and relations are edges. Relations like style compatibility are often produced by a manual process and therefore do not cover uniformly the whole graph. We propose to use inductive learning to enhance a graph encoding style compatibility of a fashion assortment, leveraging rich node information comprising textual des…
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…
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）
Non-Intrusive Graph-Based Bot Detection for E-Commerce Using Inductive Graph Neural Networks
College of Engineering Northeastern University Boston, USA（工程学院 哈佛大学 波士顿 美国）；Khoury College of Computer Sciences Northeastern University Boston, USA（计算机科学学院 哈佛大学 波士顿 美国）；College of Professional Studies Northeastern University Boston, USA（专业研究学院 哈佛大学 波士顿 美国）
Efficient Model-Stealing Attacks Against Inductive Graph Neural Networks
IDEAS NCBR；Institute of Fundamental Technological Research, Polish Academy of Sciences（波兰科学院基础技术研究所）；Warsaw University of Technology（华沙理工大学）；CISPA（CISPA亥姆霍兹信息安全中心）；University of Warsaw（华沙大学）
