Standard agglomerative clustering suggests establishing a new reliable linkage at every step. However, in order to provide adaptive, density-consistent and flexible solutions, we study extracting all the reliable linkages at each step, instead of the smallest one. Such a strategy can be applied with all common criteria for agglomerative hierarchical clustering. We also study that this strategy with the single linkage criterion yields a minimum spanning tree algorithm. We perform experiments on several real-world datasets to demonstrate the performance of this strategy compared to the standard alternative.

We investigate the use of Minimax distances to extract in a nonparametric way the features that capture the unknown underlying patterns and structures in the data. We develop a general-purpose and computationally efficient framework to employ Minimax distances with many machine learning methods that perform on numerical data. We study both computing the pairwise Minimax distances for all pairs of objects and as well as computing the Minimax distances of all the objects to/from a fixed (test) object. We first efficiently compute the pairwise Minimax distances between the objects, using the equivalence of Minimax distances over a graph and over a minimum spanning tree constructed on that. Then, we perform an embedding of the pairwise Minimax distances into a new vector space, such that their squared Euclidean distances in the new space equal to the pairwise Minimax distances in the original space. We also study the case of having multiple pairwise Minimax matrices, instead of a single one. Thereby, we propose an embedding via first summing up the centered matrices and then performing an eigenvalue decomposition to obtain the relevant features. In the following, we study computing Minimax distances from a fixed (test) object which can be used for instance in K-nearest neighbor search. Similar to the case of all-pair pairwise Minimax distances, we develop an efficient and general-purpose algorithm that is applicable with any arbitrary base distance measure. Moreover, we investigate in detail the edges selected by the Minimax distances and thereby explore the ability of Minimax distances in detecting outlier objects. Finally, for each setting, we perform several experiments to demonstrate the effectiveness of our framework.

We propose unsupervised representation learning and feature extraction from dendrograms. The commonly used Minimax distance measures correspond to building a dendrogram with single linkage criterion, with defining specific forms of a level function and a distance function over that. Therefore, we extend this method to arbitrary dendrograms. We develop a generalized framework wherein different distance measures and representations can be inferred from different types of dendrograms, level functions and distance functions. Via an appropriate embedding, we compute a vector-based representation of the inferred distances, in order to enable many numerical machine learning algorithms to employ such distances. Then, to address the model selection problem, we study the aggregation of different dendrogram-based distances respectively in solution space and in representation space in the spirit of deep representations. In the first approach, for example for the clustering problem, we build a graph with positive and negative edge weights according to the consistency of the clustering labels of different objects among different solutions, in the context of ensemble methods. Then, we use an efficient variant of correlation clustering to produce the final clusters. In the second approach, we investigate the combination of different distances and features sequentially in the spirit of multi-layered architectures to obtain the final features. Finally, we demonstrate the effectiveness of our approach via several numerical studies.

Several clustering methods (e.g., Normalized Cut and Ratio Cut) divide the Min Cut cost function by a cluster dependent factor (e.g., the size or the degree of the clusters), in order to yield a more balanced partitioning. We, instead, investigate adding such regularizations to the original cost function. We first consider the case where the regularization term is the sum of the squared size of the clusters, and then generalize it to adaptive regularization of the pairwise similarities. This leads to shifting (adaptively) the pairwise similarities which might make some of them negative. We then study the connection of this method to Correlation Clustering and then propose an efficient local search optimization algorithm with fast theoretical convergence rate to solve the new clustering problem. In the following, we investigate the shift of pairwise similarities on some common clustering methods, and finally, we demonstrate the superior performance of the method by extensive experiments on different datasets.

We review clustering as an analysis tool and the underlying concepts from an introductory perspective. What is clustering and how can clusterings be realised programmatically? How can data be represented and prepared for a clustering task? And how can clustering results be validated? Connectivity-based versus prototype-based approaches are reflected in the context of several popular methods: single-linkage, spectral embedding, k-means, and Gaussian mixtures are discussed as well as the density-based protocols (H)DBSCAN, Jarvis-Patrick, CommonNN, and density-peaks.

应用分层聚类算法所需的时间最常由成对差异度量的计算数量主导。对于较大的数据集，这种约束使所有经典链接标准的使用都处于不利地位。但是，众所周知，单个连锁聚类算法对离群值非常敏感，产生高度偏斜的树状图，因此通常不会反映出真正的潜在数据结构 - 除非簇分离良好。为了克服其局限性，我们提出了一个名为Genie的新的分层聚类链接标准。也就是说，我们的算法将两个簇链接在一起，以至于选择的经济不平等度量（例如，gini-或bonferroni index）的群集大小不会大大增加超过给定阈值。提出的基准表明引入的方法具有很高的实际实用性：它通常优于病房或平均链接的聚类质量，同时保持单个连锁的速度。 Genie算法很容易平行，因此可以在多个线程上运行以进一步加快其执行。它的内存开销很小：无需预先计算完整的距离矩阵即可执行计算以获得所需的群集。它可以应用于配备有差异度量的任意空间，例如，在实际矢量，DNA或蛋白质序列，图像，排名，信息图数据等上。有关R。另请参见https://genieclust.gagolewski.com有关新的实施（GenieClust） - 可用于R和Python。

分层群集的主要挑战之一是如何适当地识别群集树较低级别的代表点，这些点将被用作群集树的较高级别的根源以进行进一步的聚合。然而，传统的分层聚类方法采用了一些简单的技巧来选择可能不像代表的“代表”点。因此，构造的簇树在其稳健性和可靠性较弱的方面不太吸引。针对这个问题，我们提出了一种新的分层聚类算法，其中，在构建聚类树形图的同时，我们可以有效地检测基于对每个子最小跨越树中的互易读数的互动最近数据点进行评分的代表点。 UCI数据集的广泛实验表明，所提出的算法比其他基准更准确。同时，在我们的分析下，所提出的算法具有O（nlogn）时间复杂度和O（logn）空间复杂度，表明它具有在处理具有更少时间和存储消​​耗的大规模数据方面具有可扩展性。

We study Frank-Wolfe algorithms - standard, pairwise, and away-steps - for efficient optimization of Dominant Set Clustering. We present a unified and computationally efficient framework to employ the different variants of Frank-Wolfe methods, and we investigate its effectiveness via several experimental studies. In addition, we provide explicit convergence rates for the algorithms in terms of the so-called Frank-Wolfe gap. The theoretical analysis has been specialized to Dominant Set Clustering and covers consistently the different variants.

群集集群或共识群集已成为一种强大的工具，用于提高各种聚类方法的鲁棒性和结果的稳定性。加权聚类集群自然地从集群集群中产生。加权群集集合的参数之一是聚类集群中的元素（群集或集群）具有不同的质量，或者对象或特征具有不同意义的重要性。但是，不可能直接将加权机制从分类（监督）域中应用于群集（无监督）域，因为群集本质上是一个不存在的问题。本文通过讨论不同类型的权重，确定重量值的主要方法以及将加权聚类集合与复杂数据的应用程序的主要方法概述了加权集群集群集合概述。本文提出的统一框架将有助于聚类从业者为自己的问题选择最合适的加权机制。

在进化多目标聚类方法（EMOC）中，已将各种聚类标准应用于目标函数。但是，大多数EMOC并未提供有关目标功能的选择和使用的详细分析。旨在支持eMOC中目标的更好的选择和定义，本文提出了通过检查搜索方向及其在寻找最佳结果的潜力来分析进化优化中聚类标准的可采性的分析。结果，我们证明了目标函数的可接受性如何影响优化。此外，我们还提供有关eMOC中聚类标准的组合和使用的见解。

聚类是一种无监督的机器学习方法，其中未标记的元素/对象被分组在一起，旨在构建成熟的群集，以根据其相似性对其元素进行分类。该过程的目的是向研究人员提供有用的帮助，以帮助她/他确定数据中的模式。在处理大型数据库时，如果没有聚类算法的贡献，这种模式可能无法轻易检测到。本文对最广泛使用的聚类方法进行了深入的描述，并伴随着有关合适的参数选择和初始化的有用演示。同时，本文不仅代表了一篇评论，该评论突出了所检查的聚类技术的主要要素，而且强调了这些算法基于3个数据集的聚类效率的比较，从而在对抗性和复杂性中揭示了其现有的弱点和能力，在持续的离散和持续的离散和离散和持续的差异。观察。产生的结果有助于我们根据数据集的大小提取有关检查聚类技术的适当性的宝贵结论。

聚类分析是机器学习中的关键任务之一。传统上，聚类一直是一项独立的任务，与异常检测分开。由于离群值可以大大侵蚀聚类的性能，因此，少数算法尝试在聚类过程中掺入离群值检测。但是，大多数这些算法基于基于无监督的分区算法，例如K-均值。鉴于这些算法的性质，它们通常无法处理复杂的非凸形簇。为了应对这一挑战，我们提出了SSDBCODI，这是一种半监督密度的算法。 SSDBCODI结合了基于密度的算法的优势，这些算法能够处理复杂形状的簇，以及半监督元素，该元素具有灵活性，可以根据一些用户标签调整聚类结果。我们还将离群检测组件与聚类过程合并。根据过程中产生的三个分数检测到潜在离群值：（1）达到性得分，该得分衡量了一个点的密度可至关重要是对标记的正常物体的测量值，（2）局部密度得分，该局部密度得分，它测量了相邻密度的密度数据对象和（3）相似性得分，该分数测量了一个点与其最近标记的异常值的接近度。然后，在下一步中，在用于训练分类器以进一步群集和离群值检测之前，基于这三个分数为每个数据实例生成实例权重。为了增强对拟议算法的理解，为了进行评估，我们已经针对多个数据集上的某些最新方法运行了拟议的算法，并分别列出了除聚类外检测的结果。我们的结果表明，我们的算法可以通过少量标签获得优异的结果。

我们讨论集群分析的拓扑方面，并表明在聚类之前推断数据集的拓扑结构可以大大增强群集检测：理论论证和经验证据表明，聚类嵌入向量，代表数据歧管的结构，而不是观察到的特征矢量他们自己是非常有益的。为了证明，我们将流形学习方法与基于密度的聚类方法DBSCAN结合了歧管学习方法UMAP。合成和真实数据结果表明，这既简化和改善了多种低维问题，包括密度变化和/或纠缠形状的群集。我们的方法简化了聚类，因为拓扑预处理始终降低DBSCAN的参数灵敏度。然后，用dbscan聚类所得的嵌入可以超过诸如spectacl和clustergan之类的复杂方法。最后，我们的调查表明，聚类中的关键问题似乎不是数据的标称维度或其中包含多少不相关的功能，而是\ textIt {可分离}群集在环境观察空间中的\ textit {可分离}，它们嵌入了它们中。 ，通常是数据特征定义的（高维）欧几里得空间。我们的方法之所以成功，是因为我们将数据投影到更合适的空间后，从某种意义上说，我们执行了群集分析。

本文研究了分层聚类问题，其中目标是生产一种在数据集的变化尺度上表示集群的树形图。我们提出了用于设计并行分层凝聚聚类（HAC）算法的Parchain框架，并使用该框架，我们获得了全面连锁，平均联系和病房的联动标准的新颖平行算法。与最先前的并行HAC算法相比，这需要二次存储器，我们的新算法仅需要线性存储器，并且可以扩展到大数据集。 PARCHAIN基于我们最近邻的链算法的并行化，并使多个群集能够在每一轮上合并。我们介绍了两个关键优化，这对于效率至关重要：范围查询优化，减少查找群集的最近邻居所需的距离计算数，以及存储可能重复使用的先前计算的距离子集的缓存优化。通过实验，我们表明，我们的高度优化实现，使用48个核心，通过双向超线程实现5.8--110.1倍的加速，通过最先进的并行HAC算法，实现了13.75--54.23倍的自相对加速。与最先进的算法相比，我们的算法较少的空间少于237.3倍。我们的算法能够扩展到具有数百万点的数据集大小，现有算法无法处理该算法。

基于拓扑的维度减少方法，如T-SNE和UMAP，已经看到了高维数据的成功和普及。这些方法具有强大的数学基础，基于直觉，即低维度的拓扑应接近高维度。鉴于初始拓扑结构是算法成功的前兆，这自然提出了问题：是什么使得维数减少的“良好”拓扑结构？深入了解这将使我们能够设计更好的算法，该算法考虑到本地和全局结构。在专注于UMAP的本文中，我们研究节点连接（k最近邻居与互相k离邻居）和相对邻域（相邻通孔邻居）的影响对维数减少。我们通过关于4标准图像和文本数据集的广泛消融研究探索这些概念; Mnist，Fmnist，20ng，Ag，减少2和64个尺寸。我们的研究结果表明，连接局部邻域（PATH邻居）的灵活方法更加精致的连接（相互K最近邻居）的概念，可以实现比下游测量的默认UMAP更好的表示聚类性能。

Clustering algorithms are attractive for the task of class identification in spatial databases. However, the application to large spatial databases rises the following requirements for clustering algorithms: minimal requirements of domain knowledge to determine the input parameters, discovery of clusters with arbitrary shape and good efficiency on large databases. The well-known clustering algorithms offer no solution to the combination of these requirements. In this paper, we present the new clustering algorithm DBSCAN relying on a density-based notion of clusters which is designed to discover clusters of arbitrary shape. DBSCAN requires only one input parameter and supports the user in determining an appropriate value for it. We performed an experimental evaluation of the effectiveness and efficiency of DBSCAN using synthetic data and real data of the SEQUOIA 2000 benchmark. The results of our experiments demonstrate that (1) DBSCAN is significantly more effective in discovering clusters of arbitrary shape than the well-known algorithm CLAR-ANS, and that (2) DBSCAN outperforms CLARANS by factor of more than 100 in terms of efficiency.

使用机器学习算法从未标记的文本中提取知识可能很复杂。文档分类和信息检索是两个应用程序，可以从无监督的学习（例如文本聚类和主题建模）中受益，包括探索性数据分析。但是，无监督的学习范式提出了可重复性问题。初始化可能会导致可变性，具体取决于机器学习算法。此外，关于群集几何形状，扭曲可能会产生误导。在原因中，异常值和异常的存在可能是决定因素。尽管初始化和异常问题与文本群集和主题建模相关，但作者并未找到对它们的深入分析。这项调查提供了这些亚地区的系统文献综述（2011-2022），并提出了共同的术语，因为类似的程序具有不同的术语。作者描述了研究机会，趋势和开放问题。附录总结了与审查的作品直接或间接相关的文本矢量化，分解和聚类算法的理论背景。

This paper addresses the problem of segmenting an image into regions. We define a predicate for measuring the evidence for a boundary between two regions using a graph-based representation of the image. We then develop an efficient segmentation algorithm based on this predicate, and show that although this algorithm makes greedy decisions it produces segmentations that satisfy global properties. We apply the algorithm to image segmentation using two different kinds of local neighborhoods in constructing the graph, and illustrate the results with both real and synthetic images. The algorithm runs in time nearly linear in the number of graph edges and is also fast in practice. An important characteristic of the method is its ability to preserve detail in low-variability image regions while ignoring detail in high-variability regions.

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.

内部群集有效性度量（例如Calinski-Harabasz，Dunn或Davies-Bouldin指数）经常用于选择适当数量的分区数量，应将数据集分为二。在本文中，我们考虑如果将这些索引视为无监督学习活动中的客观功能会发生什么。关于轮廓指数的最佳分组是否真的有意义？事实证明，许多群集有效性指数促进了聚类，这些聚类与专家知识相匹配。我们还引入了邓恩指数的一个新的，表现出色的变体，该变体是建立在OWA操作员和接近邻居图的基础上的，因此，无论其形状如何，都可以更好地相互分离。