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Deep learning on graphs has attracted significant interests recently. However, most of the works have focused on (semi-) supervised learning, resulting in shortcomings including heavy label reliance, poor generalization, and weak robustness. To address these issues, self-supervised learning (SSL), which extracts informative knowledge through well-designed pretext tasks without relying on manual labels, has become a promising and trending learning paradigm for graph data. Different from SSL on other domains like computer vision and natural language processing, SSL on graphs has an exclusive background, design ideas, and taxonomies. Under the umbrella of graph self-supervised learning, we present a timely and comprehensive review of the existing approaches which employ SSL techniques for graph data. We construct a unified framework that mathematically formalizes the paradigm of graph SSL. According to the objectives of pretext tasks, we divide these approaches into four categories: generation-based, auxiliary property-based, contrast-based, and hybrid approaches. We further conclude the applications of graph SSL across various research fields and summarize the commonly used datasets, evaluation benchmark, performance comparison and open-source codes of graph SSL. Finally, we discuss the remaining challenges and potential future directions in this research field.

To date, most existing self-supervised learning methods are designed and optimized for image classification. These pre-trained models can be sub-optimal for dense prediction tasks due to the discrepancy between image-level prediction and pixel-level prediction. To fill this gap, we aim to design an effective, dense self-supervised learning method that directly works at the level of pixels (or local features) by taking into account the correspondence between local features. We present dense contrastive learning, which implements self-supervised learning by optimizing a pairwise contrastive (dis)similarity loss at the pixel level between two views of input images. Compared to the baseline method MoCo-v2, our method introduces negligible computation overhead (only <1% slower), but demonstrates consistently superior performance when transferring to downstream dense prediction tasks including object detection, semantic segmentation and instance segmentation; and outperforms the state-of-the-art methods by a large margin. Specifically, over the strong MoCo-v2 baseline, our method achieves significant improvements of 2.0% AP on PASCAL VOC object detection, 1.1% AP on COCO object detection, 0.9% AP on COCO instance segmentation, 3.0% mIoU on PASCAL VOC semantic segmentation and 1.8% mIoU on Cityscapes semantic segmentation. Code is available at: //git.io/AdelaiDet

Deep models trained in supervised mode have achieved remarkable success on a variety of tasks. When labeled samples are limited, self-supervised learning (SSL) is emerging as a new paradigm for making use of large amounts of unlabeled samples. SSL has achieved promising performance on natural language and image learning tasks. Recently, there is a trend to extend such success to graph data using graph neural networks (GNNs). In this survey, we provide a unified review of different ways of training GNNs using SSL. Specifically, we categorize SSL methods into contrastive and predictive models. In either category, we provide a unified framework for methods as well as how these methods differ in each component under the framework. Our unified treatment of SSL methods for GNNs sheds light on the similarities and differences of various methods, setting the stage for developing new methods and algorithms. We also summarize different SSL settings and the corresponding datasets used in each setting. To facilitate methodological development and empirical comparison, we develop a standardized testbed for SSL in GNNs, including implementations of common baseline methods, datasets, and evaluation metrics.

Recently, contrastive learning (CL) has emerged as a successful method for unsupervised graph representation learning. Most graph CL methods first perform stochastic augmentation on the input graph to obtain two graph views and maximize the agreement of representations in the two views. Despite the prosperous development of graph CL methods, the design of graph augmentation schemes -- a crucial component in CL -- remains rarely explored. We argue that the data augmentation schemes should preserve intrinsic structures and attributes of graphs, which will force the model to learn representations that are insensitive to perturbation on unimportant nodes and edges. However, most existing methods adopt uniform data augmentation schemes, like uniformly dropping edges and uniformly shuffling features, leading to suboptimal performance. In this paper, we propose a novel graph contrastive representation learning method with adaptive augmentation that incorporates various priors for topological and semantic aspects of the graph. Specifically, on the topology level, we design augmentation schemes based on node centrality measures to highlight important connective structures. On the node attribute level, we corrupt node features by adding more noise to unimportant node features, to enforce the model to recognize underlying semantic information. We perform extensive experiments of node classification on a variety of real-world datasets. Experimental results demonstrate that our proposed method consistently outperforms existing state-of-the-art baselines and even surpasses some supervised counterparts, which validates the effectiveness of the proposed contrastive framework with adaptive augmentation.

Data augmentation has been widely used to improve generalizability of machine learning models. However, comparatively little work studies data augmentation for graphs. This is largely due to the complex, non-Euclidean structure of graphs, which limits possible manipulation operations. Augmentation operations commonly used in vision and language have no analogs for graphs. Our work studies graph data augmentation for graph neural networks (GNNs) in the context of improving semi-supervised node-classification. We discuss practical and theoretical motivations, considerations and strategies for graph data augmentation. Our work shows that neural edge predictors can effectively encode class-homophilic structure to promote intra-class edges and demote inter-class edges in given graph structure, and our main contribution introduces the GAug graph data augmentation framework, which leverages these insights to improve performance in GNN-based node classification via edge prediction. Extensive experiments on multiple benchmarks show that augmentation via GAug improves performance across GNN architectures and datasets.

Visual and audio modalities are highly correlated, yet they contain different information. Their strong correlation makes it possible to predict the semantics of one from the other with good accuracy. Their intrinsic differences make cross-modal prediction a potentially more rewarding pretext task for self-supervised learning of video and audio representations compared to within-modality learning. Based on this intuition, we propose Cross-Modal Deep Clustering (XDC), a novel self-supervised method that leverages unsupervised clustering in one modality (e.g., audio) as a supervisory signal for the other modality (e.g., video). This cross-modal supervision helps XDC utilize the semantic correlation and the differences between the two modalities. Our experiments show that XDC outperforms single-modality clustering and other multi-modal variants. XDC achieves state-of-the-art accuracy among self-supervised methods on multiple video and audio benchmarks. Most importantly, our video model pretrained on large-scale unlabeled data significantly outperforms the same model pretrained with full-supervision on ImageNet and Kinetics for action recognition on HMDB51 and UCF101. To the best of our knowledge, XDC is the first self-supervised learning method that outperforms large-scale fully-supervised pretraining for action recognition on the same architecture.

We present GraphMix, a regularization method for Graph Neural Network based semi-supervised object classification, whereby we propose to train a fully-connected network jointly with the graph neural network via parameter sharing and interpolation-based regularization. Further, we provide a theoretical analysis of how GraphMix improves the generalization bounds of the underlying graph neural network, without making any assumptions about the "aggregation" layer or the depth of the graph neural networks. We experimentally validate this analysis by applying GraphMix to various architectures such as Graph Convolutional Networks, Graph Attention Networks and Graph-U-Net. Despite its simplicity, we demonstrate that GraphMix can consistently improve or closely match state-of-the-art performance using even simpler architectures such as Graph Convolutional Networks, across three established graph benchmarks: Cora, Citeseer and Pubmed citation network datasets, as well as three newly proposed datasets: Cora-Full, Co-author-CS and Co-author-Physics.

Graph-based Semi-Supervised Learning (SSL) aims to transfer the labels of a handful of labeled data to the remaining massive unlabeled data via a graph. As one of the most popular graph-based SSL approaches, the recently proposed Graph Convolutional Networks (GCNs) have gained remarkable progress by combining the sound expressiveness of neural networks with graph structure. Nevertheless, the existing graph-based methods do not directly address the core problem of SSL, i.e., the shortage of supervision, and thus their performances are still very limited. To accommodate this issue, a novel GCN-based SSL algorithm is presented in this paper to enrich the supervision signals by utilizing both data similarities and graph structure. Firstly, by designing a semi-supervised contrastive loss, improved node representations can be generated via maximizing the agreement between different views of the same data or the data from the same class. Therefore, the rich unlabeled data and the scarce yet valuable labeled data can jointly provide abundant supervision information for learning discriminative node representations, which helps improve the subsequent classification result. Secondly, the underlying determinative relationship between the data features and input graph topology is extracted as supplementary supervision signals for SSL via using a graph generative loss related to the input features. Intensive experimental results on a variety of real-world datasets firmly verify the effectiveness of our algorithm compared with other state-of-the-art methods.

Unsupervised (or self-supervised) graph representation learning is essential to facilitate various graph data mining tasks when external supervision is unavailable. The challenge is to encode the information about the graph structure and the attributes associated with the nodes and edges into a low dimensional space. Most existing unsupervised methods promote similar representations across nodes that are topologically close. Recently, it was shown that leveraging additional graph-level information, e.g., information that is shared among all nodes, encourages the representations to be mindful of the global properties of the graph, which greatly improves their quality. However, in most graphs, there is significantly more structure that can be captured, e.g., nodes tend to belong to (multiple) clusters that represent structurally similar nodes. Motivated by this observation, we propose a graph representation learning method called Graph InfoClust (GIC), that seeks to additionally capture cluster-level information content. These clusters are computed by a differentiable K-means method and are jointly optimized by maximizing the mutual information between nodes of the same clusters. This optimization leads the node representations to capture richer information and nodal interactions, which improves their quality. Experiments show that GIC outperforms state-of-art methods in various downstream tasks (node classification, link prediction, and node clustering) with a 0.9% to 6.1% gain over the best competing approach, on average.

Despite much success, deep learning generally does not perform well with small labeled training sets. In these scenarios, data augmentation has shown much promise in alleviating the need for more labeled data, but it so far has mostly been applied in supervised settings and achieved limited gains. In this work, we propose to apply data augmentation to unlabeled data in a semi-supervised learning setting. Our method, named Unsupervised Data Augmentation or UDA, encourages the model predictions to be consistent between an unlabeled example and an augmented unlabeled example. Unlike previous methods that use random noise such as Gaussian noise or dropout noise, UDA has a small twist in that it makes use of harder and more realistic noise generated by state-of-the-art data augmentation methods. This small twist leads to substantial improvements on six language tasks and three vision tasks even when the labeled set is extremely small. For example, on the IMDb text classification dataset, with only 20 labeled examples, UDA achieves an error rate of 4.20, outperforming the state-of-the-art model trained on 25,000 labeled examples. On standard semi-supervised learning benchmarks CIFAR-10 and SVHN, UDA outperforms all previous approaches and achieves an error rate of 2.7% on CIFAR-10 with only 4,000 examples and an error rate of 2.85% on SVHN with only 250 examples, nearly matching the performance of models trained on the full sets which are one or two orders of magnitude larger. UDA also works well on large-scale datasets such as ImageNet. When trained with 10% of the labeled set, UDA improves the top-1/top-5 accuracy from 55.1/77.3% to 68.7/88.5%. For the full ImageNet with 1.3M extra unlabeled data, UDA further pushes the performance from 78.3/94.4% to 79.0/94.5%.