Inductive relation prediction (IRP)---where entities can be different during training and inference---has shown great power for completing evolving knowledge graphs. Existing works mainly focus on using graph neural networks (GNNs) to learn the representation of the subgraph induced from the target link, which can be seen as an implicit rule-mining process to measure the plausibility of the target link. However, these methods are not able to differentiate the target link and other links during message passing, hence the final subgraph representation will contain irrelevant rule information to the target link, which reduces the reasoning performance and severely hinders the applications for real-world scenarios. To tackle this problem, we propose a novel $\textit{single-source edge-wise}$ GNN model to learn the $\textbf{R}$ule-induc$\textbf{E}$d $\textbf{S}$ubgraph represen$\textbf{T}$ations $(\textbf{REST}$), which encodes relevant rules and eliminates irrelevant rules within the subgraph. Specifically, we propose a $\textit{single-source}$ initialization approach to initialize edge features only for the target link, which guarantees the relevance of mined rules and target link. Then we propose several RNN-based functions for $\textit{edge-wise}$ message passing to model the sequential property of mined rules. REST is a simple and effective approach with theoretical support to learn the $\textit{rule-induced subgraph representation}$. Moreover, REST does not need node labeling, which significantly accelerates the subgraph preprocessing time by up to $\textbf{11.66}\times$. Experiments on inductive relation prediction benchmarks demonstrate the effectiveness of our REST.

Inductive relation prediction (IRP)---where entities can be different during training and inference---has shown great power for completing evolving knowledge graphs. Existing works mainly focus on using graph neural networks (GNNs) to learn the representation of the subgraph induced from the target link, which can be seen as an implicit rule-mining process to measure the plausibility of the target link. However, these methods are not able to differentiate the target link and other links during message passing, hence the final subgraph representation will contain irrelevant rule information to the target link, which reduces the reasoning performance and severely hinders the applications for real-world scenarios. Specifically, we propose a \textit{single-source} initialization approach to initialize edge features only for the target link, which guarantees the relevance of mined rules and target link. Then we propose several RNN-based functions for \textit{edge-wise} message passing to model the sequential property of mined rules. REST is a simple and effective approach with theoretical support to learn the \textit{rule-induced subgraph representation} .

Inductive relation prediction (IRP)--where entities can be different during training and inference--has shown great power for completing evolving knowledge graphs. Existing works mainly focus on using graph neural networks (GNNs) to learn the representation of the subgraph induced from the target link, which can be seen as an implicit rule-mining process to measure the plausibility of the target link. However, these methods cannot differentiate the target link and other links during message passing, hence the final subgraph representation will contain irrelevant rule information to the target link, which reduces the reasoning performance and severely hinders the applications for real-world scenarios. To tackle this problem, we propose a novel single-source edge-wise GNN model to learn the Rule-inducEd Subgraph represenTations (REST), which encodes relevant rules and eliminates irrelevant rules within the subgraph. Specifically, we propose a single-source initialization approach to initialize edge features only for the target link, which guarantees the relevance of mined rules and target link. Then we propose several RNN-based functions for edge-wise message passing to model the sequential property of mined rules. REST is a simple and effective approach with theoretical support to learn the rule-induced subgraph representation. Moreover, REST does not need node labeling, which significantly accelerates the subgraph preprocessing time by up to 11.66 .

Graph Neural Networks (GNNs) are important across different domains, such as social network analysis and recommendation systems, due to their ability to model complex relational data. This paper introduces subgraph queries as a new task for deep graph learning. Unlike traditional graph prediction tasks that focus on individual components like link prediction or node classification, subgraph queries jointly predict the components of a target subgraph based on evidence that is represented by an observed subgraph. For instance, a subgraph query can predict a set of target links and/or node labels. To answer subgraph queries, we utilize a probabilistic deep Graph Generative Model. Specifically, we inductively train a Variational Graph Auto-Encoder (VGAE) model, augmented to represent a joint distribution over links, node features and labels. Bayesian optimization is used to tune a weighting for the relative importance of links, node features and labels in a specific domain. We describe a deterministic and a sampling-based inference method for estimating subgraph probabilities from the VGAE generative graph distribution, without retraining, in zero-shot fashion. For evaluation, we apply the inference methods on a range of subgraph queries on six benchmark datasets. We find that inference from a model achieves superior predictive performance, surpassing independent prediction baselines with improvements in AUC scores ranging from 0.06 to 0.2 points, depending on the dataset.

Link prediction (LP), inferring the connectivity between nodes, is a significant research area in graph data, where a link represents essential information on relationships between nodes. Although graph neural network (GNN)-based models have achieved high performance in LP, understanding why they perform well is challenging because most comprise complex neural networks. We employ persistent homology (PH), a topological data analysis method that helps analyze the topological information of graphs, to explain the reasons for the high performance. We propose a novel method that employs PH for LP (PHLP) focusing on how the presence or absence of target links influences the overall topology. The PHLP utilizes the angle hop subgraph and new node labeling called degree double radius node labeling (Degree DRNL), distinguishing the information of graphs better than DRNL. Using only a classifier, PHLP performs similarly to state-of-the-art (SOTA) models on most benchmark datasets. Incorporating the outputs calculated using PHLP into the existing GNN-based SOTA models improves performance across all benchmark datasets. To the best of our knowledge, PHLP is the first method of applying PH to LP without GNNs. The proposed approach, employing PH while not relying on neural networks, enables the identification of crucial factors for improving performance.

Link prediction (LP) is a fundamental task in graph representation learning, with numerous applications in diverse domains. However, the generalizability of LP models is often compromised due to the presence of noisy or spurious information in graphs and the inherent incompleteness of graph data. To address these challenges, we draw inspiration from the Information Bottleneck principle and propose a novel data augmentation method, COmplete and REduce (CORE) to learn compact and predictive augmentations for LP models. In particular, CORE aims to recover missing edges in graphs while simultaneously removing noise from the graph structures, thereby enhancing the model's robustness and performance. Extensive experiments on multiple benchmark datasets demonstrate the applicability and superiority of CORE over state-of-the-art methods, showcasing its potential as a leading approach for robust LP in graph representation learning.

A temporal graph can be considered as a stream of links, each of which represents an interaction between two nodes at a certain time. On temporal graphs, link prediction is a common task, which aims to answer whether the query link is true or not. To do this task, previous methods usually focus on the learning of representations of the two nodes in the query link. We point out that the learned representation by their models may encode too much information with side effects for link prediction because they have not utilized the information of the query link, i.e., they are link-unaware. Based on this observation, we propose a link-aware model: historical links and the query link are input together into the following model layers to distinguish whether this input implies a reasonable pattern that ends with the query link. During this process, we focus on the modeling of link evolution patterns rather than node representations. Experiments on six datasets show that our model achieves strong performances compared with state-of-the-art baselines, and the results of link prediction are interpretable. The code and datasets are available on the project website: https://github.com/lbq8942/TGACN.

While Graph Neural Networks (GNNs) are remarkably successful in a variety of high-impact applications, we demonstrate that, in link prediction, the common practices of including the edges being predicted in the graph at training and/or test have outsized impact on the performance of low-degree nodes. We theoretically and empirically investigate how these practices impact node-level performance across different degrees. Specifically, we explore three issues that arise: (I1) overfitting; (I2) distribution shift; and (I3) implicit test leakage. The former two issues lead to poor generalizability to the test data, while the latter leads to overestimation of the model's performance and directly impacts the deployment of GNNs. To address these issues in a systematic way, we introduce an effective and efficient GNN training framework, SpotTarget, which leverages our insight on low-degree nodes: (1) at training time, it excludes a (training) edge to be predicted if it is incident to at least one low-degree node; and (2) at test time, it excludes all test edges to be predicted (thus, mimicking real scenarios of using GNNs, where the test data is not included in the graph). SpotTarget helps researchers and practitioners adhere to best practices for learning from graph data, which are frequently overlooked even by the most widely-used frameworks. Our experiments on various real-world datasets show that SpotTarget makes GNNs up to 15x more accurate in sparse graphs, and significantly improves their performance for low-degree nodes in dense graphs.