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Register a new userSelf-supervised on Graphs: Contrastive, Generative,or Predictive
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Lirong Wu
Publication date
2021
fields
Informatics Engineering
and research's language is
English
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Deep learning on graphs has recently achieved remarkable success on a variety of tasks while such success relies heavily on the massive and carefully labeled data. However, precise annotations are generally very expensive and time-consuming. To address this problem, self-supervised learning (SSL) is emerging as a new paradigm for extracting informative knowledge through well-designed pretext tasks without relying on manual labels. In this survey, we extend the concept of SSL, which first emerged in the fields of computer vision and natural language processing, to present a timely and comprehensive review of the existing SSL techniques for graph data. Specifically, we divide existing graph SSL methods into three categories: contrastive, generative, and predictive. More importantly, unlike many other surveys that only provide a high-level description of published research, we present an additional mathematical summary of the existing works in a unified framework. Furthermore, to facilitate methodological development and empirical comparisons, we also summarize the commonly used datasets, evaluation metrics, downstream tasks, and open-source implementations of various algorithms. Finally, we discuss the technical challenges and potential future directions for improving graph self-supervised learning.
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We study self-supervised learning on graphs using contrastive methods. A general scheme of prior methods is to optimize two-view representations of input graphs. In many studies, a single graph-level representation is computed as one of the contrastive objectives, capturing limited characteristics of graphs. We argue that contrasting graphs in multiple subspaces enables graph encoders to capture more abundant characteristics. To this end, we propose a group contrastive learning framework in this work. Our framework embeds the given graph into multiple subspaces, of which each representation is prompted to encode specific characteristics of graphs. To learn diverse and informative representations, we develop principled objectives that enable us to capture the relations among both intra-space and inter-space representations in groups. Under the proposed framework, we further develop an attention-based representor function to compute representations that capture different substructures of a given graph. Built upon our framework, we extend two current methods into GroupCL and GroupIG, equipped with the proposed objective. Comprehensive experimental results show our framework achieves a promising boost in performance on a variety of datasets. In addition, our qualitative results show that features generated from our representor successfully capture various specific characteristics of graphs.
Anomaly detection from graph data has drawn much attention due to its practical significance in many critical applications including cybersecurity, finance, and social networks. Existing data mining and machine learning methods are either shallow methods that could not effectively capture the complex interdependency of graph data or graph autoencoder methods that could not fully exploit the contextual information as supervision signals for effective anomaly detection. To overcome these challenges, in this paper, we propose a novel method, Self-Supervised Learning for Graph Anomaly Detection (SL-GAD). Our method constructs different contextual subgraphs (views) based on a target node and employs two modules, generative attribute regression and multi-view contrastive learning for anomaly detection. While the generative attribute regression module allows us to capture the anomalies in the attribute space, the multi-view contrastive learning module can exploit richer structure information from multiple subgraphs, thus abling to capture the anomalies in the structure space, mixing of structure, and attribute information. We conduct extensive experiments on six benchmark datasets and the results demonstrate that our method outperforms state-of-the-art methods by a large margin.
While contrastive approaches of self-supervised learning (SSL) learn representations by minimizing the distance between two augmented views of the same data point (positive pairs) and maximizing views from different data points (negative pairs), recent emph{non-contrastive} SSL (e.g., BYOL and SimSiam) show remarkable performance {it without} negative pairs, with an extra learnable predictor and a stop-gradient operation. A fundamental question arises: why do these methods not collapse into trivial representations? We answer this question via a simple theoretical study and propose a novel approach, DirectPred, that emph{directly} sets the linear predictor based on the statistics of its inputs, without gradient training. On ImageNet, it performs comparably with more complex two-layer non-linear predictors that employ BatchNorm and outperforms a linear predictor by $2.5%$ in 300-epoch training (and $5%$ in 60-epoch). DirectPred is motivated by our theoretical study of the nonlinear learning dynamics of non-contrastive SSL in simple linear networks. Our study yields conceptual insights into how non-contrastive SSL methods learn, how they avoid representational collapse, and how multiple factors, like predictor networks, stop-gradients, exponential moving averages, and weight decay all come into play. Our simple theory recapitulates the results of real-world ablation studies in both STL-10 and ImageNet. Code is released https://github.com/facebookresearch/luckmatters/tree/master/ssl.
Graph self-supervised learning has gained increasing attention due to its capacity to learn expressive node representations. Many pretext tasks, or loss functions have been designed from distinct perspectives. However, we observe that different pretext tasks affect downstream tasks differently cross datasets, which suggests that searching pretext tasks is crucial for graph self-supervised learning. Different from existing works focusing on designing single pretext tasks, this work aims to investigate how to automatically leverage multiple pretext tasks effectively. Nevertheless, evaluating representations derived from multiple pretext tasks without direct access to ground truth labels makes this problem challenging. To address this obstacle, we make use of a key principle of many real-world graphs, i.e., homophily, or the principle that ``like attracts like, as the guidance to effectively search various self-supervised pretext tasks. We provide theoretical understanding and empirical evidence to justify the flexibility of homophily in this search task. Then we propose the AutoSSL framework which can automatically search over combinations of various self-supervised tasks. By evaluating the framework on 7 real-world datasets, our experimental results show that AutoSSL can significantly boost the performance on downstream tasks including node clustering and node classification compared with training under individual tasks. Code will be released at https://github.com/ChandlerBang/AutoSSL.
This paper proposes a novel cell-based neural architecture search algorithm (NAS), which completely alleviates the expensive costs of data labeling inherited from supervised learning. Our algorithm capitalizes on the effectiveness of self-supervised learning for image representations, which is an increasingly crucial topic of computer vision. First, using only a small amount of unlabeled train data under contrastive self-supervised learning allow us to search on a more extensive search space, discovering better neural architectures without surging the computational resources. Second, we entirely relieve the cost for labeled data (by contrastive loss) in the search stage without compromising architectures final performance in the evaluation phase. Finally, we tackle the inherent discrete search space of the NAS problem by sequential model-based optimization via the tree-parzen estimator (SMBO-TPE), enabling us to reduce the computational expense response surface significantly. An extensive number of experiments empirically show that our search algorithm can achieve state-of-the-art results with better efficiency in data labeling cost, searching time, and accuracy in final validation.
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