Mapper is an unsupervised machine learning algorithm generalising the notion of clustering to obtain a geometric description of a dataset. The procedure splits the data into possibly overlapping bins which are then clustered. The output of the algorithm is a graph where nodes represent clusters and edges represent the sharing of data points between two clusters. However, several parameters must be selected before applying Mapper and the resulting graph may vary dramatically with the choice of parameters. We define an intrinsic notion of Mapper instability that measures the variability of the output as a function of the choice of parameters required to construct a Mapper output. Our results and discussion are general and apply to all Mapper-type algorithms. We derive theoretical results that provide estimates for the instability and suggest practical ways to control it. We provide also experiments to illustrate our results and in particular we demonstrate that a reliable candidate Mapper output can be identified as a local minimum of instability regarded as a function of Mapper input parameters.
The most comprehensive theoretical study of clustering stability by Ben-David and von Luxburg @cite_43 defined a notion of clustering stability and related it to properties of the decision boundaries of the algorithm. This is the starting point of the theoretical part of this work. We extend these notions to account for the considerably more complex Mapper construction.
@cite_43
2128859735 151377110 1516452477 1558625102
We present a new method for clustering based on compression. The method does not use subject-specific features or background knowledge, and works as follows: First, we determine a parameter-free, universal, similarity distance, the normalized compression distance or NCD, computed from the lengths of compressed data files (singly and in pairwise concatenation). Second, we apply a hierarchical clustering method. The NCD is not restricted to a specific application area, and works across application area boundaries. A theoretical precursor, the normalized information distance, co-developed by one of the authors, is provably optimal. However, the optimality comes at the price of using the noncomputable notion of Kolmogorov complexity. We propose axioms to capture the real-world setting, and show that the NCD approximates optimality. To extract a hierarchy of clusters from the distance matrix, we determine a dendrogram (ternary tree) by a new quartet method and a fast heuristic to implement it. The method is implemented and available as public software, and is robust under choice of different compressors. To substantiate our claims of universality and robustness, we report evidence of successful application in areas as diverse as genomics, virology, languages, literature, music, handwritten digits, astronomy, and combinations of objects from completely different domains, using statistical, dictionary, and block sorting compressors. In genomics, we presented new evidence for major questions in Mammalian evolution, based on whole-mitochondrial genomic analysis: the Eutherian orders and the Marsupionta hypothesis against the Theria hypothesis. We propose a theoretically and practically improved density-based, hierarchical clustering method, providing a clustering hierarchy from which a simplified tree of significant clusters can be constructed. For obtaining a “flat” partition consisting of only the most significant clusters (possibly corresponding to different density thresholds), we propose a novel cluster stability measure, formalize the problem of maximizing the overall stability of selected clusters, and formulate an algorithm that computes an optimal solution to this problem. We demonstrate that our approach outperforms the current, state-of-the-art, density-based clustering methods on a wide variety of real world data. In this paper, we investigate stability-based methods for cluster model selection, in particular to select the number K of clusters. The scenario under consideration is that clustering is performed by minimizing a certain clustering quality function, and that a unique global minimizer exists. On the one hand we show that stability can be upper bounded by certain properties of the optimal clustering, namely by the mass in a small tube around the cluster boundaries. On the other hand, we provide counterexamples which show that a reverse statement is not true in general. Finally, we give some examples and arguments why, from a theoretic point of view, using clustering stability in a high sample setting can be problematic. It can be seen that distribution-free guarantees bounding the difference between the finite sample stability and the “true stability” cannot exist, unless one makes strong assumptions on the underlying distribution. Clustering under most popular objective functions is NP-hard, even to approximate well, and so unlikely to be efficiently solvable in the worst case. Recently, Bilu and Linial (2010) [11] suggested an approach aimed at bypassing this computational barrier by using properties of instances one might hope to hold in practice. In particular, they argue that instances in practice should be stable to small perturbations in the metric space and give an efficient algorithm for clustering instances of the Max-Cut problem that are stable to perturbations of size O(n^1^ ^2). In addition, they conjecture that instances stable to as little as O(1) perturbations should be solvable in polynomial time. In this paper we prove that this conjecture is true for any center-based clustering objective (such as k-median, k-means, and k-center). Specifically, we show we can efficiently find the optimal clustering assuming only stability to factor-3 perturbations of the underlying metric in spaces without Steiner points, and stability to factor 2+3 perturbations for general metrics. In particular, we show for such instances that the popular Single-Linkage algorithm combined with dynamic programming will find the optimal clustering. We also present NP-hardness results under a weaker but related condition.