Graph Convolutional Networks (GCNs) and their variants have experienced significant attention and have become the de facto methods for learning graph representations. GCNs derive inspiration primarily from recent deep learning approaches, and as a result, may inherit unnecessary complexity and redundant computation. In this paper, we reduce this excess complexity through successively removing nonlinearities and collapsing weight matrices between consecutive layers. We theoretically analyze the resulting linear model and show that it corresponds to a fixed low-pass filter followed by a linear classifier. Notably, our experimental evaluation demonstrates that these simplifications do not negatively impact accuracy in many downstream applications. Moreover, the resulting model scales to larger datasets, is naturally interpretable, and yields up to two orders of magnitude speedup over FastGCN.

Graph convolutional networks (GCNs) are a powerful deep learning approach for graph-structured data. Recently, GCNs and subsequent variants have shown superior performance in various application areas on real-world datasets. Despite their success, most of the current GCN models are shallow, due to the over-smoothing problem.In this paper, we study the problem of designing and analyzing deep graph convolutional networks. We propose the GCNII, an extension of the vanilla GCN model with two simple yet effective techniques: Initial residual and Identity mapping. We provide theoretical and empirical evidence that the two techniques effectively relieves the problem of over-smoothing. Our experiments show that the deep GCNII model outperforms the state-of-the-art methods on various semi-and fullsupervised tasks. Code is available at https: //github.com/chennnM/GCNII.

图表神经网络（GNNS）在图形结构数据的表现中表现出巨大的成功。在捕获图形拓扑中，GNN中的层展图表卷积显示为强大。在此过程中，GNN通常由预定义的内核引导，例如拉普拉斯矩阵，邻接矩阵或其变体。但是，预定义的内核的采用可能会限制不同图形的必要性：图形和内核之间的不匹配将导致次优性能。例如，当高频信息对于图表具有重要意义时，聚焦在低频信息上的GNN可能无法实现令人满意的性能，反之亦然。为了解决这个问题，在本文中，我们提出了一种新颖的框架 - 即，即Adaptive Kernel图神经网络（AKGNN） - 这将在第一次尝试时以统一的方式适应最佳图形内核。在所提出的AKGNN中，我们首先设计一种数据驱动的图形内核学习机制，它通过修改图拉普拉斯的最大特征值来自适应地调制全通过和低通滤波器之间的平衡。通过此过程，AKGNN了解高频信号之间的最佳阈值以减轻通用问题。稍后，我们通过参数化技巧进一步减少参数的数量，并通过全局读出功能增强富有表现力。在确认的基准数据集中进行了广泛的实验，并且有希望的结果通过与最先进的GNNS比较，展示了我们所提出的Akgnn的出色表现。源代码在公开上可用：https://github.com/jumxglhf/akgnn。

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。

图形卷积网络（GCN）及其变体是为仅包含正链的无符号图设计的。许多现有的GCN来自位于（未签名）图的信号的光谱域分析，在每个卷积层中，它们对输入特征进行低通滤波，然后进行可学习的线性转换。它们扩展到具有正面和负面链接的签名图，引发了多个问题，包括计算不规则性和模棱两可的频率解释，从而使计算有效的低通滤波器的设计具有挑战性。在本文中，我们通过签名图的光谱分析来解决这些问题，并提出了两个不同的图形神经网络，一个人仅保留低频信息，并且还保留了高频信息。我们进一步引入了磁性签名的拉普拉斯式，并使用其特征成分进行定向签名图的光谱分析。我们在签名图上测试了节点分类的方法，并链接符号预测任务并实现最先进的性能。

Many interesting problems in machine learning are being revisited with new deep learning tools. For graph-based semisupervised learning, a recent important development is graph convolutional networks (GCNs), which nicely integrate local vertex features and graph topology in the convolutional layers. Although the GCN model compares favorably with other state-of-the-art methods, its mechanisms are not clear and it still requires considerable amount of labeled data for validation and model selection. In this paper, we develop deeper insights into the GCN model and address its fundamental limits. First, we show that the graph convolution of the GCN model is actually a special form of Laplacian smoothing, which is the key reason why GCNs work, but it also brings potential concerns of oversmoothing with many convolutional layers. Second, to overcome the limits of the GCN model with shallow architectures, we propose both co-training and self-training approaches to train GCNs. Our approaches significantly improve GCNs in learning with very few labels, and exempt them from requiring additional labels for validation. Extensive experiments on benchmarks have verified our theory and proposals.

图形神经网络（GNNS）对图表上的半监督节点分类展示了卓越的性能，结果是它们能够同时利用节点特征和拓扑信息的能力。然而，大多数GNN隐含地假设曲线图中的节点和其邻居的标签是相同或一致的，其不包含在异质图中，其中链接节点的标签可能不同。因此，当拓扑是非信息性的标签预测时，普通的GNN可以显着更差，而不是在每个节点上施加多层Perceptrons（MLPS）。为了解决上述问题，我们提出了一种新的$ -laplacian基于GNN模型，称为$ ^ P $ GNN，其消息传递机制来自离散正则化框架，并且可以理论上解释为多项式图的近似值在$ p $ -laplacians的频谱域上定义过滤器。光谱分析表明，新的消息传递机制同时用作低通和高通滤波器，从而使$ ^ P $ GNNS对同性恋和异化图有效。关于现实世界和合成数据集的实证研究验证了我们的调查结果，并证明了$ ^ P $ GNN明显优于异交基准的几个最先进的GNN架构，同时在同性恋基准上实现竞争性能。此外，$ ^ p $ gnns可以自适应地学习聚合权重，并且对嘈杂的边缘具有强大。

Graph neural networks have shown significant success in the field of graph representation learning. Graph convolutions perform neighborhood aggregation and represent one of the most important graph operations. Nevertheless, one layer of these neighborhood aggregation methods only consider immediate neighbors, and the performance decreases when going deeper to enable larger receptive fields. Several recent studies attribute this performance deterioration to the over-smoothing issue, which states that repeated propagation makes node representations of different classes indistinguishable. In this work, we study this observation systematically and develop new insights towards deeper graph neural networks. First, we provide a systematical analysis on this issue and argue that the key factor compromising the performance significantly is the entanglement of representation transformation and propagation in current graph convolution operations. After decoupling these two operations, deeper graph neural networks can be used to learn graph node representations from larger receptive fields. We further provide a theoretical analysis of the above observation when building very deep models, which can serve as a rigorous and gentle description of the over-smoothing issue. Based on our theoretical and empirical analysis, we propose Deep Adaptive Graph Neural Network (DAGNN) to adaptively incorporate information from large receptive fields. A set of experiments on citation, coauthorship, and co-purchase datasets have confirmed our analysis and insights and demonstrated the superiority of our proposed methods. CCS CONCEPTS• Mathematics of computing → Graph algorithms; • Computing methodologies → Artificial intelligence; Neural networks.

图形卷积网络对于从图形结构数据进行深入学习而变得必不可少。大多数现有的图形卷积网络都有两个大缺点。首先，它们本质上是低通滤波器，因此忽略了图形信号的潜在有用的中和高频带。其次，固定了现有图卷积过滤器的带宽。图形卷积过滤器的参数仅转换图输入而不更改图形卷积滤波器函数的曲率。实际上，除非我们有专家领域知识，否则我们不确定是否应该在某个点保留或切断频率。在本文中，我们建议自动图形卷积网络（AUTOGCN）捕获图形信号的完整范围，并自动更新图形卷积过滤器的带宽。虽然它基于图谱理论，但我们的自动环境也位于空间中，并具有空间形式。实验结果表明，AutoGCN比仅充当低通滤波器的基线方法实现了显着改善。

本文提出了FLGC，这是一个简单但有效的全线性图形卷积网络，用于半监督和无人监督的学习。基于计算具有解耦步骤的全局最优闭合液解决方案而不是使用梯度下降，而不是使用梯度下降。我们展示（1）FLGC强大的是处理图形结构化数据和常规数据，（2）具有闭合形式解决方案的训练图卷积模型提高了计算效率而不会降低性能，而（3）FLGC作为自然概括非欧几里德域的经典线性模型，例如Ridge回归和子空间聚类。此外，我们通过引入初始剩余策略来实现半监督的FLGC和无监督的FLGC，使FLGC能够聚集长距离邻域并减轻过平滑。我们将我们的半监督和无人监督的FLGC与各种分类和聚类基准的许多最先进的方法进行比较，表明建议的FLGC模型在准确性，鲁棒性和学习效率方面始终如一地优于先前的方法。我们的FLGC的核心代码在https://github.com/angrycai/flgc下发布。

图形卷积网络（GCN）已被证明是一个有力的概念，在过去几年中，已成功应用于许多领域的各种任务。在这项工作中，我们研究了为GCN定义铺平道路的理论，包括经典图理论的相关部分。我们还讨论并在实验上证明了GCN的关键特性和局限性，例如由样品的统计依赖性引起的，该图由图的边缘引入，这会导致完整梯度的估计值偏置。我们讨论的另一个限制是Minibatch采样对模型性能的负面影响。结果，在参数更新期间，在整个数据集上计算梯度，从而破坏了对大图的可扩展性。为了解决这个问题，我们研究了替代方法，这些方法允许在每次迭代中仅采样一部分数据，可以安全地学习良好的参数。我们重现了KIPF等人的工作中报告的结果。并提出一个灵感签名的实现，这是一种无抽样的minibatch方法。最终，我们比较了基准数据集上的两个实现，证明它们在半监督节点分类任务的预测准确性方面是可比的。

Designing spectral convolutional networks is a challenging problem in graph learning. ChebNet, one of the early attempts, approximates the spectral graph convolutions using Chebyshev polynomials. GCN simplifies ChebNet by utilizing only the first two Chebyshev polynomials while still outperforming it on real-world datasets. GPR-GNN and BernNet demonstrate that the Monomial and Bernstein bases also outperform the Chebyshev basis in terms of learning the spectral graph convolutions. Such conclusions are counter-intuitive in the field of approximation theory, where it is established that the Chebyshev polynomial achieves the optimum convergent rate for approximating a function. In this paper, we revisit the problem of approximating the spectral graph convolutions with Chebyshev polynomials. We show that ChebNet's inferior performance is primarily due to illegal coefficients learnt by ChebNet approximating analytic filter functions, which leads to over-fitting. We then propose ChebNetII, a new GNN model based on Chebyshev interpolation, which enhances the original Chebyshev polynomial approximation while reducing the Runge phenomenon. We conducted an extensive experimental study to demonstrate that ChebNetII can learn arbitrary graph convolutions and achieve superior performance in both full- and semi-supervised node classification tasks. Most notably, we scale ChebNetII to a billion graph ogbn-papers100M, showing that spectral-based GNNs have superior performance. Our code is available at https://github.com/ivam-he/ChebNetII.

几何深度学习取得了长足的进步，旨在概括从传统领域到非欧几里得群岛的结构感知神经网络的设计，从而引起图形神经网络（GNN），这些神经网络（GNN）可以应用于形成的图形结构数据，例如社会，例如，网络，生物化学和材料科学。尤其是受欧几里得对应物的启发，尤其是图形卷积网络（GCN）通过提取结构感知功能来成功处理图形数据。但是，当前的GNN模型通常受到各种现象的限制，这些现象限制了其表达能力和推广到更复杂的图形数据集的能力。大多数模型基本上依赖于通过本地平均操作对图形信号的低通滤波，从而导致过度平滑。此外，为了避免严重的过度厚度，大多数流行的GCN式网络往往是较浅的，并且具有狭窄的接收场，导致侵犯。在这里，我们提出了一个混合GNN框架，该框架将传统的GCN过滤器与通过几何散射定义的带通滤波器相结合。我们进一步介绍了一个注意框架，该框架允许该模型在节点级别上从不同过滤器的组合信息进行本地参与。我们的理论结果确定了散射过滤器的互补益处，以利用图表中的结构信息，而我们的实验显示了我们方法对各种学习任务的好处。

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.

最新提出的基于变压器的图形模型的作品证明了香草变压器用于图形表示学习的不足。要了解这种不足，需要研究变压器的光谱分析是否会揭示其对其表现力的见解。类似的研究已经确定，图神经网络（GNN）的光谱分析为其表现力提供了额外的观点。在这项工作中，我们系统地研究并建立了变压器领域中的空间和光谱域之间的联系。我们进一步提供了理论分析，并证明了变压器中的空间注意机制无法有效捕获所需的频率响应，因此，固有地限制了其在光谱空间中的表现力。因此，我们提出了feta，该框架旨在在整个图形频谱（即图形的实际频率成分）上进行注意力类似于空间空间中的注意力。经验结果表明，FETA在标准基准的所有任务中为香草变压器提供均匀的性能增益，并且可以轻松地扩展到具有低通特性的基于GNN的模型（例如GAT）。

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.

基于Web的交互可以经常由归因图表示，并且在这些图中的节点聚类最近受到了很多关注。多次努力已成功应用图形卷积网络（GCN），但由于GCNS已被显示出遭受过平滑问题的GCNS的精度一些限制。虽然其他方法（特别是基于拉普拉斯平滑的方法）已经报告了更好的准确性，但所有工作的基本限制都是缺乏可扩展性。本文通过将LAPLACIAN平滑与广义的PageRank相同，并将随机步行基于算法应用为可伸缩图滤波器来解决这一打开问题。这构成了我们可扩展的深度聚类算法RWSL的基础，其中通过自我监督的迷你批量培训机制，我们同时优化了一个深度神经网络，用于采样集群分配分配和AutoEncoder，用于群集导向的嵌入。使用6个现实世界数据集和6个聚类指标，我们表明RWSL实现了几个最近基线的结果。最值得注意的是，我们显示与所有其他深度聚类框架不同的RWSL可以继续以超过一百万个节点的图形扩展，即句柄。我们还演示了RWSL如何在仅使用单个GPU的18亿边缘的图表上执行节点聚类。

作为建模复杂关系的强大工具，HyperGraphs从图表学习社区中获得了流行。但是，深度刻画学习中的常用框架专注于具有边缘独立的顶点权重（EIVW）的超图，而无需考虑具有具有更多建模功率的边缘依赖性顶点权重（EDVWS）的超图。为了弥补这一点，我们提出了一般的超图光谱卷积（GHSC），这是一个通用学习框架，不仅可以处理EDVW和EIVW HyperGraphs，而且更重要的是，理论上可以明确地利用现有强大的图形卷积神经网络（GCNN）明确说明，从而很大程度上可以释放。超图神经网络的设计。在此框架中，给定的无向GCNN的图形拉普拉斯被统一的HyperGraph Laplacian替换，该统一的HyperGraph Laplacian通过将我们所定义的广义超透明牌与简单的无向图等同起来，从随机的步行角度将顶点权重信息替换。来自各个领域的广泛实验，包括社交网络分析，视觉目标分类和蛋白质学习，证明了拟议框架的最新性能。

We present graph attention networks (GATs), novel neural network architectures that operate on graph-structured data, leveraging masked self-attentional layers to address the shortcomings of prior methods based on graph convolutions or their approximations. By stacking layers in which nodes are able to attend over their neighborhoods' features, we enable (implicitly) specifying different weights to different nodes in a neighborhood, without requiring any kind of costly matrix operation (such as inversion) or depending on knowing the graph structure upfront. In this way, we address several key challenges of spectral-based graph neural networks simultaneously, and make our model readily applicable to inductive as well as transductive problems. Our GAT models have achieved or matched state-of-theart results across four established transductive and inductive graph benchmarks: the Cora, Citeseer and Pubmed citation network datasets, as well as a proteinprotein interaction dataset (wherein test graphs remain unseen during training).

图表神经网络（GNNS）在各种机器学习任务中获得了表示学习的提高。然而，应用邻域聚合的大多数现有GNN通常在图中的图表上执行不良，其中相邻的节点属于不同的类。在本文中，我们示出了在典型的异界图中，边缘可以被引导，以及是否像是处理边缘，也可以使它们过度地影响到GNN模型的性能。此外，由于异常的限制，节点对来自本地邻域之外的类似节点的消息非常有益。这些激励我们开发一个自适应地学习图表的方向性的模型，并利用潜在的长距离相关性节点之间。我们首先将图拉普拉斯概括为基于所提出的特征感知PageRank算法向数字化，该算法同时考虑节点之间的图形方向性和长距离特征相似性。然后，Digraph Laplacian定义了一个图形传播矩阵，导致一个名为{\ em diglaciangcn}的模型。基于此，我们进一步利用节点之间的通勤时间测量的节点接近度，以便在拓扑级别上保留节点的远距离相关性。具有不同级别的10个数据集的广泛实验，同意级别展示了我们在节点分类任务任务中对现有解决方案的有效性。