机器学习，在深入学习的进步，在过去分析时间序列方面表现出巨大的潜力。但是，在许多情况下，可以通过将其结合到学习方法中可能改善预测的附加信息。这对于由例如例如传感器位置的传感器网络而产生的数据至关重要。然后，可以通过通过图形结构建模，以及顺序（时间）信息来利用这种空间信息。适应深度学习的最新进展在各种图形相关任务中表明了有希望的潜力。但是，这些方法尚未在很大程度上适用于时间序列相关任务。具体而言，大多数尝试基本上围绕空间 - 时间图形神经网络巩固了时间序列预测的小序列长度。通常，这些架构不适合包含大数据序列的回归或分类任务。因此，在这项工作中，我们使用图形神经网络的好处提出了一种能够在多变量时间序列回归任务中处理这些长序列的架构。我们的模型在包含地震波形的两个地震数据集上进行测试，其中目标是预测在一组站的地面摇动的强度测量。我们的研究结果表明了我们的方法的有希望的结果，这是深入讨论的额外消融研究。

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.

Graph classification is an important area in both modern research and industry. Multiple applications, especially in chemistry and novel drug discovery, encourage rapid development of machine learning models in this area. To keep up with the pace of new research, proper experimental design, fair evaluation, and independent benchmarks are essential. Design of strong baselines is an indispensable element of such works. In this thesis, we explore multiple approaches to graph classification. We focus on Graph Neural Networks (GNNs), which emerged as a de facto standard deep learning technique for graph representation learning. Classical approaches, such as graph descriptors and molecular fingerprints, are also addressed. We design fair evaluation experimental protocol and choose proper datasets collection. This allows us to perform numerous experiments and rigorously analyze modern approaches. We arrive to many conclusions, which shed new light on performance and quality of novel algorithms. We investigate application of Jumping Knowledge GNN architecture to graph classification, which proves to be an efficient tool for improving base graph neural network architectures. Multiple improvements to baseline models are also proposed and experimentally verified, which constitutes an important contribution to the field of fair model comparison.

Traffic state prediction in a transportation network is paramount for effective traffic operations and management, as well as informed user and system-level decision-making. However, long-term traffic prediction (beyond 30 minutes into the future) remains challenging in current research. In this work, we integrate the spatio-temporal dependencies in the transportation network from network modeling, together with the graph convolutional network (GCN) and graph attention network (GAT). To further tackle the dramatic computation and memory cost caused by the giant model size (i.e., number of weights) caused by multiple cascaded layers, we propose sparse training to mitigate the training cost, while preserving the prediction accuracy. It is a process of training using a fixed number of nonzero weights in each layer in each iteration. We consider the problem of long-term traffic speed forecasting for a real large-scale transportation network data from the California Department of Transportation (Caltrans) Performance Measurement System (PeMS). Experimental results show that the proposed GCN-STGT and GAT-STGT models achieve low prediction errors on short-, mid- and long-term prediction horizons, of 15, 30 and 45 minutes in duration, respectively. Using our sparse training, we could train from scratch with high sparsity (e.g., up to 90%), equivalent to 10 times floating point operations per second (FLOPs) reduction on computational cost using the same epochs as dense training, and arrive at a model with very small accuracy loss compared with the original dense training

近年来，图形神经网络（GNN）与复发性神经网络（RNN）的变体相结合，在时空预测任务中达到了最先进的性能。对于流量预测，GNN模型使用道路网络的图形结构来解释链接和节点之间的空间相关性。最近的解决方案要么基于复杂的图形操作或避免预定义的图。本文提出了一种新的序列结构，以使用具有稀疏体系结构的GNN-RNN细胞在多个抽象的抽象上提取时空相关性，以减少训练时间与更复杂的设计相比。通过多个编码器编码相同的输入序列，并随着编码层的增量增加，使网络能够通过多级抽象来学习一般和详细的信息。我们进一步介绍了来自加拿大蒙特利尔的街道细分市场流量数据的新基准数据集。与高速公路不同，城市路段是循环的，其特征是复杂的空间依赖性。与基线方法相比，一小时预测的实验结果和我们的MSLTD街道级段数据集对我们的模型提高了7％以上，同时将计算资源要求提高了一半以上竞争方法。

Modeling multivariate time series has long been a subject that has attracted researchers from a diverse range of fields including economics, finance, and traffic. A basic assumption behind multivariate time series forecasting is that its variables depend on one another but, upon looking closely, it's fair to say that existing methods fail to fully exploit latent spatial dependencies between pairs of variables. In recent years, meanwhile, graph neural networks (GNNs) have shown high capability in handling relational dependencies. GNNs require well-defined graph structures for information propagation which means they cannot be applied directly for multivariate time series where the dependencies are not known in advance. In this paper, we propose a general graph neural network framework designed specifically for multivariate time series data. Our approach automatically extracts the uni-directed relations among variables through a graph learning module, into which external knowledge like variable attributes can be easily integrated. A novel mix-hop propagation layer and a dilated inception layer are further proposed to capture the spatial and temporal dependencies within the time series. The graph learning, graph convolution, and temporal convolution modules are jointly learned in an end-to-end framework. Experimental results show that our proposed model outperforms the state-of-the-art baseline methods on 3 of 4 benchmark datasets and achieves on-par performance with other approaches on two traffic datasets which provide extra structural information. CCS CONCEPTS• Computing methodologies → Neural networks; Artificial intelligence.

本文旨在统一非欧几里得空间中的空间依赖性和时间依赖性，同时捕获流量数据的内部空间依赖性。对于具有拓扑结构的时空属性实体，时空是连续的和统一的，而每个节点的当前状态都受到每个邻居的变异时期的邻居的过去状态的影响。大多数用于流量预测研究的空间依赖性和时间相关性的空间神经网络在处理中分别损害了时空完整性，而忽略了邻居节点的时间依赖期可以延迟和动态的事实。为了建模这种实际条件，我们提出了一种新型的空间 - 周期性图神经网络，将空间和时间视为不可分割的整体，以挖掘时空图，同时通过消息传播机制利用每个节点的发展时空依赖性。进行消融和参数研究的实验已经验证了拟议的遍及术的有效性，并且可以从https://github.com/nnzhan/traversenet中找到详细的实现。

Deep learning has been shown to be successful in a number of domains, ranging from acoustics, images, to natural language processing. However, applying deep learning to the ubiquitous graph data is non-trivial because of the unique characteristics of graphs. Recently, substantial research efforts have been devoted to applying deep learning methods to graphs, resulting in beneficial advances in graph analysis techniques. In this survey, we comprehensively review the different types of deep learning methods on graphs. We divide the existing methods into five categories based on their model architectures and training strategies: graph recurrent neural networks, graph convolutional networks, graph autoencoders, graph reinforcement learning, and graph adversarial methods. We then provide a comprehensive overview of these methods in a systematic manner mainly by following their development history. We also analyze the differences and compositions of different methods. Finally, we briefly outline the applications in which they have been used and discuss potential future research directions.

图表神经网络（GNNS）最近在人工智能（AI）领域的普及，这是由于它们作为输入数据相对非结构化数据类型的独特能力。尽管GNN架构的一些元素在概念上类似于传统神经网络（以及神经网络变体）的操作中，但是其他元件代表了传统深度学习技术的偏离。本教程通过整理和呈现有关GNN最常见和性能变种的动机，概念，数学和应用的细节，将GNN的权力和新颖性暴露给AI从业者。重要的是，我们简明扼要地向实际示例提出了本教程，从而为GNN的主题提供了实用和可访问的教程。

Graphs are ubiquitous in nature and can therefore serve as models for many practical but also theoretical problems. For this purpose, they can be defined as many different types which suitably reflect the individual contexts of the represented problem. To address cutting-edge problems based on graph data, the research field of Graph Neural Networks (GNNs) has emerged. Despite the field's youth and the speed at which new models are developed, many recent surveys have been published to keep track of them. Nevertheless, it has not yet been gathered which GNN can process what kind of graph types. In this survey, we give a detailed overview of already existing GNNs and, unlike previous surveys, categorize them according to their ability to handle different graph types and properties. We consider GNNs operating on static and dynamic graphs of different structural constitutions, with or without node or edge attributes. Moreover, we distinguish between GNN models for discrete-time or continuous-time dynamic graphs and group the models according to their architecture. We find that there are still graph types that are not or only rarely covered by existing GNN models. We point out where models are missing and give potential reasons for their absence.

多变量时间序列预测，分析历史时序序列以预测未来趋势，可以有效地帮助决策。 MTS中变量之间的复杂关系，包括静态，动态，可预测和潜在的关系，使得可以挖掘MTS的更多功能。建模复杂关系不仅是表征潜在依赖性的必要条件以及建模时间依赖性，而且在MTS预测任务中也带来了极大的挑战。然而，现有方法主要关注模拟MTS变量之间的某些关系。在本文中，我们提出了一种新的端到端深度学习模型，通过异构图形神经网络（MTHETGNN）称为多变量时间序列预测。为了表征变量之间的复杂关系，在MTHETGNN中设计了一个关系嵌入模块，其中每个变量被视为图形节点，并且每种类型的边缘表示特定的静态或动态关系。同时，引入了时间嵌入模块的时间序列特征提取，其中涉及具有不同感知尺度的卷积神经网络（CNN）滤波器。最后，采用异质图形嵌入模块来处理由两个模块产生的复杂结构信息。来自现实世界的三个基准数据集用于评估所提出的MTHETGNN。综合实验表明，MTHETGNN在MTS预测任务中实现了最先进的结果。

天气预报是一项有吸引力的挑战性任务，因为它对人类生活和大气运动的复杂性的影响。在大量历史观察到的时间序列数据的支持下，该任务适用于数据驱动的方法，尤其是深层神经网络。最近，基于图神经网络（GNN）方法在时空预测方面取得了出色的性能。但是，基于规范的GNNS方法仅分别对每个站的气象变量的局部图或整个车站的全局图进行建模，从而缺乏不同站点的气象变量之间的信息相互作用。在本文中，我们提出了一种新型的层次时空图形神经网络（Histgnn），以模拟多个站点气象变量之间的跨区域时空相关性。自适应图学习层和空间图卷积用于构建自学习图，并研究可变级别和站点级别图的节点之间的隐藏依赖性。为了捕获时间模式，扩张的成立为GATE时间卷积的主干旨在对长而各种气象趋势进行建模。此外，提出了动态的交互学习来构建在层次图中传递的双向信息。三个现实世界中的气象数据集的实验结果表明，史基元超过7个基准的卓越性能，并且将误差降低了4.2％至11.6％，尤其是与最先进的天气预测方法相比。

准确的交通状况预测为车辆环境协调和交通管制任务提供了坚实的基础。由于道路网络数据在空间分布中的复杂性以及深度学习方法的多样性，有效定义流量数据并充分捕获数据中复杂的空间非线性特征变得具有挑战性。本文将两种分层图池方法应用于流量预测任务，以减少图形信息冗余。首先，本文验证了流量预测任务中层次图池方法的有效性。分层图合并方法与其他基线在预测性能上形成鲜明对比。其次，应用了两种主流分层图池方法，节点群集池和节点下降池，用于分析流量预测中的优势和弱点。最后，对于上述图神经网络，本文比较了不同图网络输入对流量预测准确性的预测效应。分析和汇总定义图网络的有效方法。

Time series anomaly detection has applications in a wide range of research fields and applications, including manufacturing and healthcare. The presence of anomalies can indicate novel or unexpected events, such as production faults, system defects, or heart fluttering, and is therefore of particular interest. The large size and complex patterns of time series have led researchers to develop specialised deep learning models for detecting anomalous patterns. This survey focuses on providing structured and comprehensive state-of-the-art time series anomaly detection models through the use of deep learning. It providing a taxonomy based on the factors that divide anomaly detection models into different categories. Aside from describing the basic anomaly detection technique for each category, the advantages and limitations are also discussed. Furthermore, this study includes examples of deep anomaly detection in time series across various application domains in recent years. It finally summarises open issues in research and challenges faced while adopting deep anomaly detection models.

对于电网操作，具有精细时间和空间分辨率的太阳能发电准确预测对于电网的操作至关重要。然而，与数值天气预报（NWP）结合机器学习的最先进方法具有粗略分辨率。在本文中，我们采用曲线图信号处理透视和型号的多网站光伏（PV）生产时间序列作为图表上的信号，以捕获它们的时空依赖性并实现更高的空间和时间分辨率预测。我们提出了两种新颖的图形神经网络模型，用于确定性多站点PV预测，被称为图形 - 卷积的长期内存（GCLSTM）和图形 - 卷积变压器（GCTRAFO）模型。这些方法仅依赖于生产数据并利用PV系统提供密集的虚拟气象站网络的直觉。所提出的方法是在整整一年的两组数据集中评估：1）来自304个真实光伏系统的生产数据，以及2）模拟生产1000个PV系统，包括瑞士分布。该拟议的模型优于最先进的多站点预测方法，用于预测前方6小时的预测视野。此外，所提出的模型以NWP优于最先进的单站点方法，如前方的视野上的输入。

地震阶段关联将地震到达时间测量连接到其致病来源。有效的关联必须确定离散事件的数量，其位置和起源时间，并且必须将实际到达与测量工件区分开。深度学习采摘者的出现，从紧密重叠的小地震中提供了高率的速度，它激发了重新审视相关问题并使用深度学习方法来解决它。我们已经开发了一个图形神经网络关联器，该协会同时预测源时空定位和离散的源源 - 边界关联可能性。该方法适用于任意几何形状，数百个电台的时变地震网络，并且具有可变噪声和质量的高源和输入选拔速率。我们的图形地震神经解释引擎（Genie）使用一个图来表示站点，另一个图表示空间源区域。 Genie从数据中从数据中学习了关系，使其能够确定可靠的源和源源联想。我们使用Phasenet Deep Learth Learning Phase Phase Picker生成的输入来培训合成数据，并测试来自北加州（NC）地震网络的真实数据的方法。我们成功地重新检测了USGS在2000年$ \ unicode {x2013} $ 2022之间的500天报告中报告的所有事件M> 1的96％。在2017年的100天连续处理间隔中，$ \ unicode {x2013} $ 2018，我们检测到〜4.2x USGS报告的事件数量。我们的新事件的估计值低于USGS目录的完整性幅度，并且位于该地区的活动故障和采石场附近。我们的结果表明，精灵可以在复杂的地震监测条件下有效解决关联问题。

人口级社会事件，如民事骚乱和犯罪，往往对我们的日常生活产生重大影响。预测此类事件对于决策和资源分配非常重要。由于缺乏关于事件发生的真实原因和潜在机制的知识，事件预测传统上具有挑战性。近年来，由于两个主要原因，研究事件预测研究取得了重大进展：（1）机器学习和深度学习算法的开发和（2）社交媒体，新闻来源，博客，经济等公共数据的可访问性指标和其他元数据源。软件/硬件技术中的数据的爆炸性增长导致了社会事件研究中的深度学习技巧的应用。本文致力于提供社会事件预测的深层学习技术的系统和全面概述。我们专注于两个社会事件的域名：\ Texit {Civil unrest}和\ texit {犯罪}。我们首先介绍事件预测问题如何作为机器学习预测任务制定。然后，我们总结了这些问题的数据资源，传统方法和最近的深度学习模型的发展。最后，我们讨论了社会事件预测中的挑战，并提出了一些有希望的未来研究方向。

时空时间序列的神经预测推动了几个相关应用领域的研究和工业创新。图神经网络（GNN）通常是预测体系结构的核心组成部分。但是，在大多数时空gnns中，计算复杂度比序列时间长度缩放到二次因子，图中链接的数量是图中的链接数，因此阻碍了这些模型在大图和长时间序列中的应用。尽管在静态图的背景下提出了提高可伸缩性的方法，但很少有研究工作专门用于时空情况。为了填补这一空白，我们提出了一个可扩展的体系结构，该体系结构利用了时间和空间动力学的有效编码。特别是，我们使用一个随机的复发神经网络将输入时间序列的历史嵌入到包括多尺度时间动力学的高维状态表示中。然后，使用图形邻接矩阵的不同功率沿空间维度沿空间维度传播，以生成以富含时空特征池的特征的节点嵌入。可以在不监督的方式中有效地预先计算所得的节点嵌入，然后将其馈送到馈送前向解码器，该解码器学会映射多尺度时空表示形式为预测。然后，可以通过对节点的嵌入而无需破坏任何依赖性，从而使训练过程在节点方面并行化，从而可以对大型网络进行可扩展性。相关数据集的经验结果表明，我们的方法可以与最新技术的状态竞争，同时大大减轻了计算负担。

图表神经网络（GNN）基于故障诊断（FD）近年来收到了越来越多的关注，因为来自来自多个应用域的数据可以有利地表示为图。实际上，与传统的FD方法相比，这种特殊的代表性表格导致了卓越的性能。在本次审查中，给出了GNN，对故障诊断领域的潜在应用以及未来观点的简单介绍。首先，通过专注于它们的数据表示，即时间序列，图像和图形，回顾基于神经网络的FD方法。其次，引入了GNN的基本原则和主要架构，注意了图形卷积网络，图注意网络，图形样本和聚合，图形自动编码器和空间 - 时间图卷积网络。第三，通过详细实验验证基于GNN的最相关的故障诊断方法，结论是基于GNN的方法可以实现良好的故障诊断性能。最后，提供了讨论和未来的挑战。

多变量时间序列（MTS）预测是许多领域的重要问题。准确的预测结果可以有效地帮助决策。迄今为止，已经提出了许多MTS预测方法并广泛应用。但是，这些方法假设单个变量的预测值受到所有其他变量的影响，这忽略了变量之间的因果关系。为了解决上述问题，我们提出了一种新的端到端深度学习模式，称为本文的神经格兰特因果关系图形神经网络（CAUGNN）。要在变量间的因果信息中表征，我们在模型中介绍了神经格子因果关系图。每个变量被视为图形节点，每个边缘表示变量之间的随意关系。另外，具有不同感知尺度的卷积神经网络（CNN）过滤器用于时间序列特征提取，其用于生成每个节点的特征。最后，采用图形神经网络（GNN）来解决MTS产生的图形结构的预测问题。来自现实世界的三个基准数据集用于评估提议的Caugnn。综合实验表明，该方法在MTS预测任务中实现了最先进的结果。