Hierarchical clustering

About: Hierarchical clustering is a research topic. Over the lifetime, 10042 publications have been published within this topic receiving 282315 citations. The topic is also known as: HCA & hierarchical cluster analysis.

Data clustering: 50 years beyond K-means

Abstract: Organizing data into sensible groupings is one of the most fundamental modes of understanding and learning. As an example, a common scheme of scientific classification puts organisms into a system of ranked taxa: domain, kingdom, phylum, class, etc. Cluster analysis is the formal study of methods and algorithms for grouping, or clustering, objects according to measured or perceived intrinsic characteristics or similarity. Cluster analysis does not use category labels that tag objects with prior identifiers, i.e., class labels. The absence of category information distinguishes data clustering (unsupervised learning) from classification or discriminant analysis (supervised learning). The aim of clustering is to find structure in data and is therefore exploratory in nature. Clustering has a long and rich history in a variety of scientific fields. One of the most popular and simple clustering algorithms, K-means, was first published in 1955. In spite of the fact that K-means was proposed over 50 years ago and thousands of clustering algorithms have been published since then, K-means is still widely used. This speaks to the difficulty in designing a general purpose clustering algorithm and the ill-posed problem of clustering. We provide a brief overview of clustering, summarize well known clustering methods, discuss the major challenges and key issues in designing clustering algorithms, and point out some of the emerging and useful research directions, including semi-supervised clustering, ensemble clustering, simultaneous feature selection during data clustering, and large scale data clustering.

Multiple sequence alignment with hierarchical clustering

Abstract: An algorithm is presented for the multiple alignment of sequences, either proteins or nucleic acids, that is both accurate and easy to use on microcomputers. The approach is based on the conventional dynamic-programming method of pairwise alignment. Initially, a hierarchical clustering of the sequences is performed using the matrix of the pairwise alignment scores. The closest sequences are aligned creating groups of aligned sequences. Then close groups are aligned until all sequences are aligned in one group. The pairwise alignments included in the multiple alignment form a new matrix that is used to produce a hierarchical clustering. If it is different from the first one, iteration of the process can be performed. The method is illustrated by an example: a global alignment of 39 sequences of cytochrome c.

Hierarchical clustering schemes

Abstract: Techniques for partitioning objects into optimally homogeneous groups on the basis of empirical measures of similarity among those objects have received increasing attention in several different fields. This paper develops a useful correspondence between any hierarchical system of such clusters, and a particular type of distance measure. The correspondence gives rise to two methods of clustering that are computationally rapid and invariant under monotonic transformations of the data. In an explicitly defined sense, one method forms clusters that are optimally “connected,” while the other forms clusters that are optimally “compact.”

OPTICS: ordering points to identify the clustering structure

Abstract: Cluster analysis is a primary method for database mining. It is either used as a stand-alone tool to get insight into the distribution of a data set, e.g. to focus further analysis and data processing, or as a preprocessing step for other algorithms operating on the detected clusters. Almost all of the well-known clustering algorithms require input parameters which are hard to determine but have a significant influence on the clustering result. Furthermore, for many real-data sets there does not even exist a global parameter setting for which the result of the clustering algorithm describes the intrinsic clustering structure accurately. We introduce a new algorithm for the purpose of cluster analysis which does not produce a clustering of a data set explicitly; but instead creates an augmented ordering of the database representing its density-based clustering structure. This cluster-ordering contains information which is equivalent to the density-based clusterings corresponding to a broad range of parameter settings. It is a versatile basis for both automatic and interactive cluster analysis. We show how to automatically and efficiently extract not only 'traditional' clustering information (e.g. representative points, arbitrary shaped clusters), but also the intrinsic clustering structure. For medium sized data sets, the cluster-ordering can be represented graphically and for very large data sets, we introduce an appropriate visualization technique. Both are suitable for interactive exploration of the intrinsic clustering structure offering additional insights into the distribution and correlation of the data.

An examination of procedures for determining the number of clusters in a data set

Abstract: A Monte Carlo evaluation of 30 procedures for determining the number of clusters was conducted on artificial data sets which contained either 2, 3, 4, or 5 distinct nonoverlapping clusters. To provide a variety of clustering solutions, the data sets were analyzed by four hierarchical clustering methods. External criterion measures indicated excellent recovery of the true cluster structure by the methods at the correct hierarchy level. Thus, the clustering present in the data was quite strong. The simulation results for the stopping rules revealed a wide range in their ability to determine the correct number of clusters in the data. Several procedures worked fairly well, whereas others performed rather poorly. Thus, the latter group of rules would appear to have little validity, particularly for data sets containing distinct clusters. Applied researchers are urged to select one or more of the better criteria. However, users are cautioned that the performance of some of the criteria may be data dependent.