关于图表的深度学习最近吸引了重要的兴趣。然而，大多数作品都侧重于（半）监督学习，导致缺点包括重标签依赖，普遍性差和弱势稳健性。为了解决这些问题，通过良好设计的借口任务在不依赖于手动标签的情况下提取信息知识的自我监督学习（SSL）已成为图形数据的有希望和趋势的学习范例。与计算机视觉和自然语言处理等其他域的SSL不同，图表上的SSL具有独家背景，设计理念和分类。在图表的伞下自我监督学习，我们对采用图表数据采用SSL技术的现有方法及时及全面的审查。我们构建一个统一的框架，数学上正式地规范图表SSL的范例。根据借口任务的目标，我们将这些方法分为四类：基于生成的，基于辅助性的，基于对比的和混合方法。我们进一步描述了曲线图SSL在各种研究领域的应用，并总结了绘图SSL的常用数据集，评估基准，性能比较和开源代码。最后，我们讨论了该研究领域的剩余挑战和潜在的未来方向。

图形神经网络是一种强大的深度学习工具，用于建模图形结构化数据，在众多图形学习任务上表现出了出色的性能。为了解决深图学习中的数据噪声和数据稀缺性问题，最近有关图形数据的研究已加剧。但是，常规数据增强方法几乎无法处理具有多模式性的非欧几里得空间中定义的图形结构化数据。在这项调查中，我们正式提出了图数据扩展的问题，并进一步审查了代表性技术及其在不同深度学习问题中的应用。具体而言，我们首先提出了图形数据扩展技术的分类法，然后通过根据增强信息方式对相关工作进行分类，从而提供结构化的审查。此外，我们总结了以数据为中心的深图学习中两个代表性问题中图数据扩展的应用：（1）可靠的图形学习，重点是增强输入图的实用性以及通过图数据增强的模型容量； （2）低资源图学习，其针对通过图数据扩大标记的训练数据量表的目标。对于每个问题，我们还提供层次结构问题分类法，并审查与图数据增强相关的现有文献。最后，我们指出了有希望的研究方向和未来研究的挑战。

In recent years, graph representation learning has achieved remarkable success while suffering from low-quality data problems. As a mature technology to improve data quality in computer vision, data augmentation has also attracted increasing attention in graph domain. For promoting the development of this emerging research direction, in this survey, we comprehensively review and summarize the existing graph data augmentation (GDAug) techniques. Specifically, we first summarize a variety of feasible taxonomies, and then classify existing GDAug studies based on fine-grained graph elements. Furthermore, for each type of GDAug technique, we formalize the general definition, discuss the technical details, and give schematic illustration. In addition, we also summarize common performance metrics and specific design metrics for constructing a GDAug evaluation system. Finally, we summarize the applications of GDAug from both data and model levels, as well as future directions.

在异质图上的自我监督学习（尤其是对比度学习）方法可以有效地摆脱对监督数据的依赖。同时，大多数现有的表示学习方法将异质图嵌入到欧几里得或双曲线的单个几何空间中。这种单个几何视图通常不足以观察由于其丰富的语义和复杂结构而观察到异质图的完整图片。在这些观察结果下，本文提出了一种新型的自我监督学习方法，称为几何对比度学习（GCL），以更好地表示监督数据是不可用时的异质图。 GCL同时观察了从欧几里得和双曲线观点的异质图，旨在强烈合并建模丰富的语义和复杂结构的能力，这有望为下游任务带来更多好处。 GCL通过在局部局部和局部全球语义水平上对比表示两种几何视图之间的相互信息。在四个基准数据集上进行的广泛实验表明，在三个任务上，所提出的方法在包括节点分类，节点群集和相似性搜索在内的三个任务上都超过了强基础，包括无监督的方法和监督方法。

图表表示学习（GRL）对于图形结构数据分析至关重要。然而，大多数现有的图形神经网络（GNNS）严重依赖于标签信息，这通常是在现实世界中获得的昂贵。现有无监督的GRL方法遭受某些限制，例如对单调对比和可扩展性有限的沉重依赖。为了克服上述问题，鉴于最近的图表对比学习的进步，我们通过曲线图介绍了一种新颖的自我监控图形表示学习算法，即通过利用所提出的调整变焦方案来学习节点表示来学习节点表示。具体地，该机制使G-Zoom能够从多个尺度的图表中探索和提取自我监督信号：MICRO（即，节点级别），MESO（即，邻域级）和宏（即，子图级） 。首先，我们通过两个不同的图形增强生成输入图的两个增强视图。然后，我们逐渐地从节点，邻近逐渐为上述三个尺度建立三种不同的对比度，在那里我们最大限度地提高了横跨尺度的图形表示之间的协议。虽然我们可以从微距和宏观视角上从给定图中提取有价值的线索，但是邻域级对比度基于我们的调整后的缩放方案提供了可自定义选项的能力，以便手动选择位于微观和介于微观之间的最佳视点宏观透视更好地理解图数据。此外，为了使我们的模型可扩展到大图，我们采用了并行图形扩散方法来从图形尺寸下解耦模型训练。我们对现实世界数据集进行了广泛的实验，结果表明，我们所提出的模型始终始终优于最先进的方法。

Graph machine learning has been extensively studied in both academia and industry. Although booming with a vast number of emerging methods and techniques, most of the literature is built on the in-distribution hypothesis, i.e., testing and training graph data are identically distributed. However, this in-distribution hypothesis can hardly be satisfied in many real-world graph scenarios where the model performance substantially degrades when there exist distribution shifts between testing and training graph data. To solve this critical problem, out-of-distribution (OOD) generalization on graphs, which goes beyond the in-distribution hypothesis, has made great progress and attracted ever-increasing attention from the research community. In this paper, we comprehensively survey OOD generalization on graphs and present a detailed review of recent advances in this area. First, we provide a formal problem definition of OOD generalization on graphs. Second, we categorize existing methods into three classes from conceptually different perspectives, i.e., data, model, and learning strategy, based on their positions in the graph machine learning pipeline, followed by detailed discussions for each category. We also review the theories related to OOD generalization on graphs and introduce the commonly used graph datasets for thorough evaluations. Finally, we share our insights on future research directions. This paper is the first systematic and comprehensive review of OOD generalization on graphs, to the best of our knowledge.

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. CCS CONCEPTS• Computing methodologies → Unsupervised learning; Neural networks; Learning latent representations.

最近，自我监督的表示学习（SSRL）在计算机视觉，语音，自然语言处理（NLP）以及最近的其他类型的模式（包括传感器的时间序列）中引起了很多关注。自我监督学习的普及是由传统模型通常需要大量通知数据进行培训的事实所驱动的。获取带注释的数据可能是一个困难且昂贵的过程。已经引入了自我监督的方法，以通过使用从原始数据自由获得的监督信号对模型进行判别预训练来提高训练数据的效率。与现有的对SSRL的评论不同，该评论旨在以单一模式为重点介绍CV或NLP领域的方法，我们旨在为时间数据提供对多模式自我监督学习方法的首次全面审查。为此，我们1）提供现有SSRL方法的全面分类，2）通过定义SSRL框架的关键组件来引入通用管道，3）根据其目标功能，网络架构和潜在应用程序，潜在的应用程序，潜在的应用程序，比较现有模型， 4）查看每个类别和各种方式中的现有多模式技术。最后，我们提出了现有的弱点和未来的机会。我们认为，我们的工作对使用多模式和/或时间数据的域中SSRL的要求有了一个观点

Deep learning has revolutionized many machine learning tasks in recent years, ranging from image classification and video processing to speech recognition and natural language understanding. The data in these tasks are typically represented in the Euclidean space. However, there is an increasing number of applications where data are generated from non-Euclidean domains and are represented as graphs with complex relationships and interdependency between objects. The complexity of graph data has imposed significant challenges on existing machine learning algorithms. Recently, many studies on extending deep learning approaches for graph data have emerged. In this survey, we provide a comprehensive overview of graph neural networks (GNNs) in data mining and machine learning fields. We propose a new taxonomy to divide the state-of-the-art graph neural networks into four categories, namely recurrent graph neural networks, convolutional graph neural networks, graph autoencoders, and spatial-temporal graph neural networks. We further discuss the applications of graph neural networks across various domains and summarize the open source codes, benchmark data sets, and model evaluation of graph neural networks. Finally, we propose potential research directions in this rapidly growing field.

图神经网络的自我监督学习（SSL）正在成为利用未标记数据的有前途的方式。当前，大多数方法基于从图像域改编的对比度学习，该学习需要视图生成和足够数量的负样本。相比之下，现有的预测模型不需要负面抽样，但缺乏关于借口训练任务设计的理论指导。在这项工作中，我们提出了lagraph，这是基于潜在图预测的理论基础的预测SSL框架。 lagraph的学习目标被推导为自我监督的上限，以预测未观察到的潜在图。除了改进的性能外，Lagraph还为包括基于不变性目标的预测模型的最新成功提供了解释。我们提供了比较毛发与不同领域中相关方法的理论分析。我们的实验结果表明，劳拉在性能方面的优势和鲁棒性对于训练样本量减少了图形级别和节点级任务。

Inspired by the impressive success of contrastive learning (CL), a variety of graph augmentation strategies have been employed to learn node representations in a self-supervised manner. Existing methods construct the contrastive samples by adding perturbations to the graph structure or node attributes. Although impressive results are achieved, it is rather blind to the wealth of prior information assumed: with the increase of the perturbation degree applied on the original graph, 1) the similarity between the original graph and the generated augmented graph gradually decreases; 2) the discrimination between all nodes within each augmented view gradually increases. In this paper, we argue that both such prior information can be incorporated (differently) into the contrastive learning paradigm following our general ranking framework. In particular, we first interpret CL as a special case of learning to rank (L2R), which inspires us to leverage the ranking order among positive augmented views. Meanwhile, we introduce a self-ranking paradigm to ensure that the discriminative information among different nodes can be maintained and also be less altered to the perturbations of different degrees. Experiment results on various benchmark datasets verify the effectiveness of our algorithm compared with the supervised and unsupervised models.

随着对比学习的兴起，无人监督的图形表示学习最近一直蓬勃发展，甚至超过了一些机器学习任务中的监督对应物。图表表示的大多数对比模型学习侧重于最大化本地和全局嵌入之间的互信息，或主要取决于节点级别的对比嵌入。然而，它们仍然不足以全面探索网络拓扑的本地和全球视图。虽然前者认为本地全球关系，但其粗略的全球信息导致本地和全球观点之间的思考。后者注重节点级别对齐，以便全局视图的作用出现不起眼。为避免落入这两个极端情况，我们通过对比群集分配来提出一种新颖的无监督图形表示模型，称为GCCA。通过组合聚类算法和对比学习，它有动力综合利用本地和全球信息。这不仅促进了对比效果，而且还提供了更高质量的图形信息。同时，GCCA进一步挖掘群集级信息，这使得它能够了解除了图形拓扑之外的节点之间的难以捉摸的关联。具体地，我们首先使用不同的图形增强策略生成两个增强的图形，然后使用聚类算法分别获取其群集分配和原型。所提出的GCCA进一步强制不同增强图中的相同节点来通过最小化交叉熵损失来互相识别它们的群集分配。为了展示其有效性，我们将在三个不同的下游任务中与最先进的模型进行比较。实验结果表明，GCCA在大多数任务中具有强大的竞争力。

在深度学习研究中，自学学习（SSL）引起了极大的关注，引起了计算机视觉和遥感社区的兴趣。尽管计算机视觉取得了很大的成功，但SSL在地球观测领域的大部分潜力仍然锁定。在本文中，我们对在遥感的背景下为计算机视觉的SSL概念和最新发展提供了介绍，并回顾了SSL中的概念和最新发展。此外，我们在流行的遥感数据集上提供了现代SSL算法的初步基准，从而验证了SSL在遥感中的潜力，并提供了有关数据增强的扩展研究。最后，我们确定了SSL未来研究的有希望的方向的地球观察（SSL4EO），以铺平了两个领域的富有成效的相互作用。

近年来，自我监督学习（SSL）已广泛探索。特别是，生成的SSL在自然语言处理和其他AI领域（例如BERT和GPT的广泛采用）中获得了新的成功。尽管如此，对比度学习 - 严重依赖结构数据的增强和复杂的培训策略，这是图SSL的主要方法，而迄今为止，生成SSL在图形上的进度（尤其是GAES）尚未达到潜在的潜力。正如其他领域所承诺的。在本文中，我们确定并检查对GAE的发展产生负面影响的问题，包括其重建目标，训练鲁棒性和错误指标。我们提出了一个蒙版的图形自动编码器Graphmae，该图可以减轻这些问题，以预处理生成性自我监督图。我们建议没有重建图形结构，而是提议通过掩盖策略和缩放余弦误差将重点放在特征重建上，从而使GraphMae的强大训练受益。我们在21个公共数据集上进行了大量实验，以实现三个不同的图形学习任务。结果表明，Graphmae-A简单的图形自动编码器具有仔细的设计-CAN始终在对比度和生成性最新基准相比，始终产生优于性的表现。这项研究提供了对图自动编码器的理解，并证明了在图上的生成自我监督预训练的潜力。

Pre-publication draft of a book to be published byMorgan & Claypool publishers. Unedited version released with permission. All relevant copyrights held by the author and publisher extend to this pre-publication draft.

聚类是一项基本的机器学习任务，在文献中已广泛研究。经典聚类方法遵循以下假设：数据通过各种表示的学习技术表示为矢量化形式的特征。随着数据变得越来越复杂和复杂，浅（传统）聚类方法无法再处理高维数据类型。随着深度学习的巨大成功，尤其是深度无监督的学习，在过去的十年中，已经提出了许多具有深层建筑的代表性学习技术。最近，已经提出了深层聚类的概念，即共同优化表示的学习和聚类，因此引起了社区的日益关注。深度学习在聚类中的巨大成功，最基本的机器学习任务之一以及该方向的最新进展的巨大成功所激发。 - 艺术方法。我们总结了深度聚类的基本组成部分，并通过设计深度表示学习和聚类之间的交互方式对现有方法进行了分类。此外，该调查还提供了流行的基准数据集，评估指标和开源实现，以清楚地说明各种实验设置。最后但并非最不重要的一点是，我们讨论了深度聚类的实际应用，并提出了应有的挑战性主题，应将进一步的研究作为未来的方向。

图级表示在各种现实世界中至关重要，例如预测分子的特性。但是实际上，精确的图表注释通常非常昂贵且耗时。为了解决这个问题，图形对比学习构造实例歧视任务，将正面对（同一图的增强对）汇总在一起，并将负面对（不同图的增强对）推开，以进行无监督的表示。但是，由于为了查询，其负面因素是从所有图中均匀抽样的，因此现有方法遭受关键采样偏置问题的损失，即，否定物可能与查询具有相同的语义结构，从而导致性能降解。为了减轻这种采样偏见问题，在本文中，我们提出了一种典型的图形对比度学习（PGCL）方法。具体而言，PGCL通过将语义相似的图形群群归为同一组的群集数据的基础语义结构，并同时鼓励聚类的一致性，以实现同一图的不同增强。然后给出查询，它通过从与查询群集不同的群集中绘制图形进行负采样，从而确保查询及其阴性样本之间的语义差异。此外，对于查询，PGCL根据其原型（集群质心）和查询原型之间的距离进一步重新重新重新重新重新享受其负样本，从而使那些具有中等原型距离的负面因素具有相对较大的重量。事实证明，这种重新加权策略比统一抽样更有效。各种图基准的实验结果证明了我们的PGCL比最新方法的优势。代码可在https://github.com/ha-lins/pgcl上公开获取。

Anomaly analytics is a popular and vital task in various research contexts, which has been studied for several decades. At the same time, deep learning has shown its capacity in solving many graph-based tasks like, node classification, link prediction, and graph classification. Recently, many studies are extending graph learning models for solving anomaly analytics problems, resulting in beneficial advances in graph-based anomaly analytics techniques. In this survey, we provide a comprehensive overview of graph learning methods for anomaly analytics tasks. We classify them into four categories based on their model architectures, namely graph convolutional network (GCN), graph attention network (GAT), graph autoencoder (GAE), and other graph learning models. The differences between these methods are also compared in a systematic manner. Furthermore, we outline several graph-based anomaly analytics applications across various domains in the real world. Finally, we discuss five potential future research directions in this rapidly growing field.

图表是一个宇宙数据结构，广泛用于组织现实世界中的数据。像交通网络，社交和学术网络这样的各种实际网络网络可以由图表代表。近年来，目睹了在网络中代表顶点的快速发展，进入低维矢量空间，称为网络表示学习。表示学习可以促进图形数据上的新算法的设计。在本调查中，我们对网络代表学习的当前文献进行了全面审查。现有算法可以分为三组：浅埋模型，异构网络嵌入模型，图形神经网络的模型。我们为每个类别审查最先进的算法，并讨论这些算法之间的基本差异。调查的一个优点是，我们系统地研究了不同类别的算法底层的理论基础，这提供了深入的见解，以更好地了解网络表示学习领域的发展。

Most existing deep learning models are trained based on the closed-world assumption, where the test data is assumed to be drawn i.i.d. from the same distribution as the training data, known as in-distribution (ID). However, when models are deployed in an open-world scenario, test samples can be out-of-distribution (OOD) and therefore should be handled with caution. To detect such OOD samples drawn from unknown distribution, OOD detection has received increasing attention lately. However, current endeavors mostly focus on grid-structured data and its application for graph-structured data remains under-explored. Considering the fact that data labeling on graphs is commonly time-expensive and labor-intensive, in this work we study the problem of unsupervised graph OOD detection, aiming at detecting OOD graphs solely based on unlabeled ID data. To achieve this goal, we develop a new graph contrastive learning framework GOOD-D for detecting OOD graphs without using any ground-truth labels. By performing hierarchical contrastive learning on the augmented graphs generated by our perturbation-free graph data augmentation method, GOOD-D is able to capture the latent ID patterns and accurately detect OOD graphs based on the semantic inconsistency in different granularities (i.e., node-level, graph-level, and group-level). As a pioneering work in unsupervised graph-level OOD detection, we build a comprehensive benchmark to compare our proposed approach with different state-of-the-art methods. The experiment results demonstrate the superiority of our approach over different methods on various datasets.