在经典曲线图中,给定实值曲线图信号,其曲线图傅里叶变换通常被定义为信号和图表拉普拉斯的每个特征向量之间的内部产品。不幸的是,在矢量值图表信号的情况下,该定义在数学上没有数学上有效,然而,在最先进的图表学习建模和分析中是典型的操作数。因此,寻求向矢量值信号解码的广义转换,因此本文的主要目的是本文的主要目的。探索了几次尝试,并且还发现在邻接等级的分层水平下进行转换,有助于更容易提高信号的光谱特性。拟议的方法被引入为一个新工具,协助图表学习模型的诊断和分析行为。
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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.
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Graph clustering is a fundamental problem in unsupervised learning, with numerous applications in computer science and in analysing real-world data. In many real-world applications, we find that the clusters have a significant high-level structure. This is often overlooked in the design and analysis of graph clustering algorithms which make strong simplifying assumptions about the structure of the graph. This thesis addresses the natural question of whether the structure of clusters can be learned efficiently and describes four new algorithmic results for learning such structure in graphs and hypergraphs. All of the presented theoretical results are extensively evaluated on both synthetic and real-word datasets of different domains, including image classification and segmentation, migration networks, co-authorship networks, and natural language processing. These experimental results demonstrate that the newly developed algorithms are practical, effective, and immediately applicable for learning the structure of clusters in real-world data.
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The stochastic block model (SBM) is a random graph model with planted clusters. It is widely employed as a canonical model to study clustering and community detection, and provides generally a fertile ground to study the statistical and computational tradeoffs that arise in network and data sciences.This note surveys the recent developments that establish the fundamental limits for community detection in the SBM, both with respect to information-theoretic and computational thresholds, and for various recovery requirements such as exact, partial and weak recovery (a.k.a., detection). The main results discussed are the phase transitions for exact recovery at the Chernoff-Hellinger threshold, the phase transition for weak recovery at the Kesten-Stigum threshold, the optimal distortion-SNR tradeoff for partial recovery, the learning of the SBM parameters and the gap between information-theoretic and computational thresholds.The note also covers some of the algorithms developed in the quest of achieving the limits, in particular two-round algorithms via graph-splitting, semi-definite programming, linearized belief propagation, classical and nonbacktracking spectral methods. A few open problems are also discussed.
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Research in Graph Signal Processing (GSP) aims to develop tools for processing data defined on irregular graph domains. In this paper we first provide an overview of core ideas in GSP and their connection to conventional digital signal processing, along with a brief historical perspective to highlight how concepts recently developed in GSP build on top of prior research in other areas. We then summarize recent advances in developing basic GSP tools, including methods for sampling, filtering or graph learning. Next, we review progress in several application areas using GSP, including processing and analysis of sensor network data, biological data, and applications to image processing and machine learning.
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随机块模型(SBM)是一个随机图模型,其连接不同的顶点组不同。它被广泛用作研究聚类和社区检测的规范模型,并提供了肥沃的基础来研究组合统计和更普遍的数据科学中出现的信息理论和计算权衡。该专着调查了最近在SBM中建立社区检测的基本限制的最新发展,无论是在信息理论和计算方案方面,以及各种恢复要求,例如精确,部分和弱恢复。讨论的主要结果是在Chernoff-Hellinger阈值中进行精确恢复的相转换,Kesten-Stigum阈值弱恢复的相变,最佳的SNR - 单位信息折衷的部分恢复以及信息理论和信息理论之间的差距计算阈值。该专着给出了在寻求限制时开发的主要算法的原则推导,特别是通过绘制绘制,半定义编程,(线性化)信念传播,经典/非背带频谱和图形供电。还讨论了其他块模型的扩展,例如几何模型和一些开放问题。
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In applications such as social, energy, transportation, sensor, and neuronal networks, high-dimensional data naturally reside on the vertices of weighted graphs. The emerging field of signal processing on graphs merges algebraic and spectral graph theoretic concepts with computational harmonic analysis to process such signals on graphs. In this tutorial overview, we outline the main challenges of the area, discuss different ways to define graph spectral domains, which are the analogues to the classical frequency domain, and highlight the importance of incorporating the irregular structures of graph data domains when processing signals on graphs. We then review methods to generalize fundamental operations such as filtering, translation, modulation, dilation, and downsampling to the graph setting, and survey the localized, multiscale transforms that have been proposed to efficiently extract information from high-dimensional data on graphs. We conclude with a brief discussion of open issues and possible extensions.
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马尔可夫链是一类概率模型,在定量科学中已广泛应用。这部分是由于它们的多功能性,但是可以通过分析探测的便利性使其更加复杂。本教程为马尔可夫连锁店提供了深入的介绍,并探索了它们与图形和随机步行的联系。我们利用从线性代数和图形论的工具来描述不同类型的马尔可夫链的过渡矩阵,特别着眼于探索与这些矩阵相对应的特征值和特征向量的属性。提出的结果与机器学习和数据挖掘中的许多方法有关,我们在各个阶段描述了这些方法。本文并没有本身就成为一项新颖的学术研究,而是提出了一些已知结果的集合以及一些新概念。此外,该教程的重点是向读者提供直觉,而不是正式的理解,并且仅假定对线性代数和概率理论的概念的基本曝光。因此,来自各种学科的学生和研究人员可以访问它。
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在过去十年中,图形内核引起了很多关注,并在结构化数据上发展成为一种快速发展的学习分支。在过去的20年中,该领域发生的相当大的研究活动导致开发数十个图形内核,每个图形内核都对焦于图形的特定结构性质。图形内核已成功地成功地在广泛的域中,从社交网络到生物信息学。本调查的目标是提供图形内核的文献的统一视图。特别是,我们概述了各种图形内核。此外,我们对公共数据集的几个内核进行了实验评估,并提供了比较研究。最后,我们讨论图形内核的关键应用,并概述了一些仍有待解决的挑战。
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In recent years, spectral clustering has become one of the most popular modern clustering algorithms. It is simple to implement, can be solved efficiently by standard linear algebra software, and very often outperforms traditional clustering algorithms such as the k-means algorithm. On the first glance spectral clustering appears slightly mysterious, and it is not obvious to see why it works at all and what it really does. The goal of this tutorial is to give some intuition on those questions. We describe different graph Laplacians and their basic properties, present the most common spectral clustering algorithms, and derive those algorithms from scratch by several different approaches. Advantages and disadvantages of the different spectral clustering algorithms are discussed.
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Low-rank matrix approximations, such as the truncated singular value decomposition and the rank-revealing QR decomposition, play a central role in data analysis and scientific computing. This work surveys and extends recent research which demonstrates that randomization offers a powerful tool for performing low-rank matrix approximation. These techniques exploit modern computational architectures more fully than classical methods and open the possibility of dealing with truly massive data sets.This paper presents a modular framework for constructing randomized algorithms that compute partial matrix decompositions. These methods use random sampling to identify a subspace that captures most of the action of a matrix. The input matrix is then compressed-either explicitly or implicitly-to this subspace, and the reduced matrix is manipulated deterministically to obtain the desired low-rank factorization. In many cases, this approach beats its classical competitors in terms of accuracy, speed, and robustness. These claims are supported by extensive numerical experiments and a detailed error analysis.The specific benefits of randomized techniques depend on the computational environment. Consider the model problem of finding the k dominant components of the singular value decomposition of an m × n matrix. (i) For a dense input matrix, randomized algorithms require O(mn log(k)) floating-point operations (flops) in contrast with O(mnk) for classical algorithms. (ii) For a sparse input matrix, the flop count matches classical Krylov subspace methods, but the randomized approach is more robust and can easily be reorganized to exploit multi-processor architectures. (iii) For a matrix that is too large to fit in fast memory, the randomized techniques require only a constant number of passes over the data, as opposed to O(k) passes for classical algorithms. In fact, it is sometimes possible to perform matrix approximation with a single pass over the data.
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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)。
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最近有一项激烈的活动在嵌入非常高维和非线性数据结构的嵌入中,其中大部分在数据科学和机器学习文献中。我们分四部分调查这项活动。在第一部分中,我们涵盖了非线性方法,例如主曲线,多维缩放,局部线性方法,ISOMAP,基于图形的方法和扩散映射,基于内核的方法和随机投影。第二部分与拓扑嵌入方法有关,特别是将拓扑特性映射到持久图和映射器算法中。具有巨大增长的另一种类型的数据集是非常高维网络数据。第三部分中考虑的任务是如何将此类数据嵌入中等维度的向量空间中,以使数据适合传统技术,例如群集和分类技术。可以说,这是算法机器学习方法与统计建模(所谓的随机块建模)之间的对比度。在论文中,我们讨论了两种方法的利弊。调查的最后一部分涉及嵌入$ \ mathbb {r}^ 2 $,即可视化中。提出了三种方法:基于第一部分,第二和第三部分中的方法,$ t $ -sne,UMAP和大节。在两个模拟数据集上进行了说明和比较。一个由嘈杂的ranunculoid曲线组成的三胞胎,另一个由随机块模型和两种类型的节点产生的复杂性的网络组成。
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我们提出了对学度校正随机块模型(DCSBM)的合适性测试。该测试基于调整后的卡方统计量,用于测量$ n $多项式分布的组之间的平等性,该分布具有$ d_1,\ dots,d_n $观测值。在网络模型的背景下,多项式的数量($ n $)的数量比观测值数量($ d_i $)快得多,与节点$ i $的度相对应,因此设置偏离了经典的渐近学。我们表明,只要$ \ {d_i \} $的谐波平均值生长到无穷大,就可以使统计量在NULL下分配。顺序应用时,该测试也可以用于确定社区数量。该测试在邻接矩阵的压缩版本上进行操作,因此在学位上有条件,因此对大型稀疏网络具有高度可扩展性。我们结合了一个新颖的想法,即在测试$ K $社区时根据$(k+1)$ - 社区分配来压缩行。这种方法在不牺牲计算效率的情况下增加了顺序应用中的力量,我们证明了它在恢复社区数量方面的一致性。由于测试统计量不依赖于特定的替代方案,因此其效用超出了顺序测试,可用于同时测试DCSBM家族以外的各种替代方案。特别是,我们证明该测试与具有社区结构的潜在可变性网络模型的一般家庭一致。
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We propose a novel method for constructing wavelet transforms of functions defined on the vertices of an arbitrary finite weighted graph. Our approach is based on defining scaling using the the graph analogue of the Fourier domain, namely the spectral decomposition of the discrete graph Laplacian L. Given a wavelet generating kernel g and a scale parameter t, we define the scaled wavelet operator T t g = g(tL). The spectral graph wavelets are then formed by localizing this operator by applying it to an indicator function. Subject to an admissibility condition on g, this procedure defines an invertible transform. We explore the localization properties of the wavelets in the limit of fine scales. Additionally, we present a fast Chebyshev polynomial approximation algorithm for computing the transform that avoids the need for diagonalizing L. We highlight potential applications of the transform through examples of wavelets on graphs corresponding to a variety of different problem domains.
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在本文中,我们考虑了一个$ {\ rm u}(1)$ - 连接图,也就是说,每个方向的边缘都赋予了一个单位模量复杂的数字,该数字在方向翻转下简单地结合了。当时,组合laplacian的自然替代品是所谓的磁性拉普拉斯(Hermitian Matrix),其中包括有关图形连接的信息。连接图和磁性拉普拉斯人出现,例如在角度同步问题中。在较大且密集的图的背景下,我们在这里研究了磁性拉普拉斯的稀疏器,即基于边缘很少的子图的光谱近似值。我们的方法依赖于使用自定义的确定点过程对跨越森林(MTSF)进行取样,这是一种比偏爱多样性的边缘的分布。总而言之,MTSF是一个跨越子图,其连接的组件是树或周期根的树。后者部分捕获了连接图的角不一致,因此提供了一种压缩连接中包含的信息的方法。有趣的是,当此连接图具有弱不一致的周期时,可以通过使用循环弹出的随机行走来获得此分布的样本。我们为选择Laplacian的自然估计量提供了统计保证,并调查了我们的Sparsifier在两个应用中的实际应用。
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近年来,基于Weisfeiler-Leman算法的算法和神经架构,是一个众所周知的Graph同构问题的启发式问题,它成为具有图形和关系数据的机器学习的强大工具。在这里,我们全面概述了机器学习设置中的算法的使用,专注于监督的制度。我们讨论了理论背景,展示了如何将其用于监督的图形和节点表示学习,讨论最近的扩展,并概述算法的连接(置换 - )方面的神经结构。此外,我们概述了当前的应用和未来方向,以刺激进一步的研究。
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Graph AutoCododers(GAE)和变分图自动编码器(VGAE)作为链接预测的强大方法出现。他们的表现对社区探测问题的印象不那么令人印象深刻,根据最近和同意的实验评估,它们的表现通常超过了诸如louvain方法之类的简单替代方案。目前尚不清楚可以通过GAE和VGAE改善社区检测的程度,尤其是在没有节点功能的情况下。此外,不确定是否可以在链接预测上同时保留良好的性能。在本文中,我们表明,可以高精度地共同解决这两个任务。为此,我们介绍和理论上研究了一个社区保留的消息传递方案,通过在计算嵌入空间时考虑初始图形结构和基于模块化的先验社区来掺杂我们的GAE和VGAE编码器。我们还提出了新颖的培训和优化策略,包括引入一个模块化的正规器,以补充联合链路预测和社区检测的现有重建损失。我们通过对各种现实世界图的深入实验验证,证明了方法的经验有效性,称为模块化感知的GAE和VGAE。
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我们介绍了一种新颖的谐波分析,用于在函数上定义的函数,随机步行操作员是基石。作为第一步,我们将随机步行操作员的一组特征向量作为非正交傅里叶类型的功能,用于通过定向图。我们通过将从其Dirichlet能量获得的随机步行操作员的特征向量的变化与其相关的特征值的真实部分连接来发现频率解释。从这个傅立叶基础,我们可以进一步继续,并在有向图中建立多尺度分析。通过将Coifman和MagGioni扩展到定向图,我们提出了一种冗余小波变换和抽取的小波变换。因此,我们对导向图的谐波分析的发展导致我们考虑应用于突出了我们框架效率的指示图的图形上的半监督学习问题和信号建模问题。
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我们研究了趋势过滤的多元版本,称为Kronecker趋势过滤或KTF,因为设计点以$ D $维度形成格子。 KTF是单变量趋势过滤的自然延伸(Steidl等,2006; Kim等人,2009; Tibshirani,2014),并通过最大限度地减少惩罚最小二乘问题,其罚款术语总和绝对(高阶)沿每个坐标方向估计参数的差异。相应的惩罚运算符可以编写单次趋势过滤惩罚运营商的Kronecker产品,因此名称Kronecker趋势过滤。等效,可以在$ \ ell_1 $ -penalized基础回归问题上查看KTF,其中基本功能是下降阶段函数的张量产品,是一个分段多项式(离散样条)基础,基于单变量趋势过滤。本文是Sadhanala等人的统一和延伸结果。 (2016,2017)。我们开发了一套完整的理论结果,描述了$ k \ grone 0 $和$ d \ geq 1 $的$ k ^ {\ mathrm {th}} $ over kronecker趋势过滤的行为。这揭示了许多有趣的现象,包括KTF在估计异构平滑的功能时KTF的优势,并且在$ d = 2(k + 1)$的相位过渡,一个边界过去(在高维对 - 光滑侧)线性泡沫不能完全保持一致。我们还利用Tibshirani(2020)的离散花键来利用最近的结果,特别是离散的花键插值结果,使我们能够将KTF估计扩展到恒定时间内的任何偏离晶格位置(与晶格数量的大小无关)。
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