KGNN: Distributed Framework for Graph Neural Knowledge Representation

Knowledge representation learning has been commonly adopted to incorporate knowledge graph (KG) into various online services. Although existing knowledge representation learning methods have achieved considerable performance improvement, they ignore high-order structure and abundant attribute information, resulting unsatisfactory performance on semantics-rich KGs. Moreover, they fail to make prediction in an inductive manner and cannot scale to large industrial graphs. To address these issues, we develop a novel framework called KGNN to take full advantage of knowledge data for representation learning in the distributed learning system. KGNN is equipped with GNN based encoder and knowledge aware decoder, which aim to jointly explore high-order structure and attribute information together in a fine-grained fashion and preserve the relation patterns in KGs, respectively. Extensive experiments on three datasets for link prediction and triplet classification task demonstrate the effectiveness and scalability of KGNN framework.

Data-Free Adversarial Knowledge Distillation for Graph Neural Networks

Graph neural networks (GNNs) have been widely used in modeling graph structured data, owing to its impressive performance in a wide range of practical applications. Recently, knowledge distillation (KD) for GNNs has enabled remarkable progress in graph model compression and knowledge transfer. However, most of the existing KD methods require a large volume of real data, which are not readily available in practice, and may preclude their applicability in scenarios where the teacher model is trained on rare or hard to acquire datasets. To address this problem, we propose the first end-to-end framework for data-free adversarial knowledge distillation on graph structured data (DFAD-GNN). To be specific, our DFAD-GNN employs a generative adversarial network, which mainly consists of three components: a pre-trained teacher model and a student model are regarded as two discriminators, and a generator is utilized for deriving training graphs to distill knowledge from the teacher model into the student model. Extensive experiments on various benchmark models and six representative datasets demonstrate that our DFAD-GNN significantly surpasses state-of-the-art data-free baselines in the graph classification task.

An Effective Graph Learning based Approach for Temporal Link Prediction: The First Place of WSDM Cup 2022

Temporal link prediction, as one of the most crucial work in temporal graphs, has attracted lots of attention from the research area. The WSDM Cup 2022 seeks for solutions that predict the existence probabilities of edges within time spans over temporal graph. This paper introduces the solution of AntGraph, which wins the 1st place in the competition. We first analysis the theoretical upper-bound of the performance by removing temporal information, which implies that only structure and attribute information on the graph could achieve great performance. Based on this hypothesis, then we introduce several well-designed features. Finally, experiments conducted on the competition datasets show the superiority of our proposal, which achieved AUC score of 0.666 on dataset A and 0.902 on dataset B, the ablation studies also prove the efficiency of each feature. Code is publicly available at https://github.com/im0qianqian/WSDM2022TGP-AntGraph.

Space4HGNN: A Novel, Modularized and Reproducible Platform to Evaluate Heterogeneous Graph Neural Network

Heterogeneous Graph Neural Network (HGNN) has been successfully employed in various tasks, but we cannot accurately know the importance of different design dimensions of HGNNs due to diverse architectures and applied scenarios. Besides, in the research community of HGNNs, implementing and evaluating various tasks still need much human effort. To mitigate these issues, we first propose a unified framework covering most HGNNs, consisting of three components: heterogeneous linear transformation, heterogeneous graph transformation, and heterogeneous message passing layer. Then we build a platform Space4HGNN by defining a design space for HGNNs based on the unified framework, which offers modularized components, reproducible implementations, and standardized evaluation for HGNNs. Finally, we conduct experiments to analyze the effect of different designs. With the insights found, we distill a condensed design space and verify its effectiveness.

Confidence May Cheat: Self-Training on Graph Neural Networks under Distribution Shift

Graph Convolutional Networks (GCNs) have recently attracted vast interest and achieved state-of-the-art performance on graphs, but its success could typically hinge on careful training with amounts of expensive and time-consuming labeled data. To alleviate labeled data scarcity, self-training methods have been widely adopted on graphs by labeling high-confidence unlabeled nodes and then adding them to the training step. In this line, we empirically make a thorough study for current self-training methods on graphs. Surprisingly, we find that high-confidence unlabeled nodes are not always useful, and even introduce the distribution shift issue between the original labeled dataset and the augmented dataset by self-training, severely hindering the capability of self-training on graphs. To this end, in this paper, we propose a novel Distribution Recovered Graph Self-Training framework (DR-GST), which could recover the distribution of the original labeled dataset. Specifically, we first prove the equality of loss function in self-training framework under the distribution shift case and the population distribution if each pseudo-labeled node is weighted by a proper coefficient. Considering the intractability of the coefficient, we then propose to replace the coefficient with the information gain after observing the same changing trend between them, where information gain is respectively estimated via both dropout variational inference and dropedge variational inference in DR-GST. However, such a weighted loss function will enlarge the impact of incorrect pseudo labels. As a result, we apply the loss correction method to improve the quality of pseudo labels. Both our theoretical analysis and extensive experiments on five benchmark datasets demonstrate the effectiveness of the proposed DR-GST, as well as each well-designed component in DR-GST.

Debiased Graph Neural Networks with Agnostic Label Selection Bias

Most existing Graph Neural Networks (GNNs) are proposed without considering the selection bias in data, i.e., the inconsistent distribution between the training set with test set. In reality, the test data is not even available during the training process, making selection bias agnostic. Training GNNs with biased selected nodes leads to significant parameter estimation bias and greatly impacts the generalization ability on test nodes. In this paper, we first present an experimental investigation, which clearly shows that the selection bias drastically hinders the generalization ability of GNNs, and theoretically prove that the selection bias will cause the biased estimation on GNN parameters. Then to remove the bias in GNN estimation, we propose a novel Debiased Graph Neural Networks (DGNN) with a differentiated decorrelation regularizer. The differentiated decorrelation regularizer estimates a sample weight for each labeled node such that the spurious correlation of learned embeddings could be eliminated. We analyze the regularizer in causal view and it motivates us to differentiate the weights of the variables based on their contribution on the confounding bias. Then, these sample weights are used for reweighting GNNs to eliminate the estimation bias, thus help to improve the stability of prediction on unknown test nodes. Comprehensive experiments are conducted on several challenging graph datasets with two kinds of label selection biases. The results well verify that our proposed model outperforms the state-of-the-art methods and DGNN is a flexible framework to enhance existing GNNs.

Compact Graph Structure Learning via Mutual Information Compression

Graph Structure Learning (GSL) recently has attracted considerable attentions in its capacity of optimizing graph structure as well as learning suitable parameters of Graph Neural Networks (GNNs) simultaneously. Current GSL methods mainly learn an optimal graph structure (final view) from single or multiple information sources (basic views), however the theoretical guidance on what is the optimal graph structure is still unexplored. In essence, an optimal graph structure should only contain the information about tasks while compress redundant noise as much as possible, which is defined as "minimal sufficient structure", so as to maintain the accurancy and robustness. How to obtain such structure in a principled way? In this paper, we theoretically prove that if we optimize basic views and final view based on mutual information, and keep their performance on labels simultaneously, the final view will be a minimal sufficient structure. With this guidance, we propose a Compact GSL architecture by MI compression, named CoGSL. Specifically, two basic views are extracted from original graph as two inputs of the model, which are refinedly reestimated by a view estimator. Then, we propose an adaptive technique to fuse estimated views into the final view. Furthermore, we maintain the performance of estimated views and the final view and reduce the mutual information of every two views. To comprehensively evaluate the performance of CoGSL, we conduct extensive experiments on several datasets under clean and attacked conditions, which demonstrate the effectiveness and robustness of CoGSL.

Generalizing Graph Neural Networks on Out-Of-Distribution Graphs

Graph Neural Networks (GNNs) are proposed without considering the agnostic distribution shifts between training and testing graphs, inducing the degeneration of the generalization ability of GNNs on Out-Of-Distribution (OOD) settings. The fundamental reason for such degeneration is that most GNNs are developed based on the I.I.D hypothesis. In such a setting, GNNs tend to exploit subtle statistical correlations existing in the training set for predictions, even though it is a spurious correlation. However, such spurious correlations may change in testing environments, leading to the failure of GNNs. Therefore, eliminating the impact of spurious correlations is crucial for stable GNNs. To this end, we propose a general causal representation framework, called StableGNN. The main idea is to extract high-level representations from graph data first and resort to the distinguishing ability of causal inference to help the model get rid of spurious correlations. Particularly, we exploit a graph pooling layer to extract subgraph-based representations as high-level representations. Furthermore, we propose a causal variable distinguishing regularizer to correct the biased training distribution. Hence, GNNs would concentrate more on the stable correlations. Extensive experiments on both synthetic and real-world OOD graph datasets well verify the effectiveness, flexibility and interpretability of the proposed framework.