As a major unsupervised learning method, clustering has received a lot of attention over multiple decades. The various clustering problems that have been studied intensively include, e.g., the $k$-means problem and the $k$-center problem. However, in applications, it is common that good clusterings should optimize multiple objectives (e.g., visualizing data on a map by clustering districts into areas that are both geographically compact but also homogeneous with respect to the data). We study combinations of different objectives, for example optimizing $k$-center and $k$-means simultaneously or optimizing $k$-center with respect to two different metrics. Usually these objectives are conflicting and cannot be optimized simultaneously, making it necessary to find trade-offs. We develop novel algorithms for computing the set of Pareto-optimal solutions (approximately) for various combinations of two objectives. Our algorithms achieve provable approximation guarantees and we demonstrate in several experiments that the (approximate) Pareto set contains good clusterings that cannot be found by considering one of the objectives separately.

Abstract Motivated by an application from geodesy, we study the connected k-center problem and the connected k-diameter problem. The former problem has been introduced by Ge et al. (ACM Trans Knowl Discov Data 2(2):1–35, 2008. https://doi.org/10.1145/1376815.1376816 ) to model clustering of data sets with both attribute and relationship data. These problems arise from the classical k-center and k-diameter problems by adding a side constraint. For the side constraint, we are given an undirected connectivity graphG on the input points, and a clustering is now only feasible if every cluster induces a connected subgraph in G. Usually in clustering problems one assumes that the clusters are pairwise disjoint. We study this case but additionally also the case that clusters are allowed to be non-disjoint. This can help to satisfy the connectivity constraints. Our main result is an $$O(\log ^2k)$$ O ( log 2 k ) -approximation algorithm for the disjoint connected k-center and k-diameter problem. For Euclidean spaces of constant dimension and for metrics with constant doubling dimension, the approximation factor improves to O(1). Our algorithm works by computing a non-disjoint connected clustering first and transforming it into a disjoint connected clustering. We complement these upper bounds by several upper and lower bounds for variations and special cases of the model.

Abstract In a hierarchical clustering problem the task is to compute a series of mutually compatible clusterings of a finite metric space $$(P,{{\,\textrm{dist}\,}})$$ ( P , dist ) . Starting with the clustering where every point forms its own cluster, one iteratively merges two clusters until only one cluster remains. Complete linkage is a well-known and popular algorithm to compute such clusterings: in every step it merges the two clusters whose union has the smallest radius (or diameter) among all currently possible merges. We prove that the radius (or diameter) of every k-clustering computed by complete linkage is at most by factor O(k) (or $$O(k^{\ln (3)/\ln (2)})=O(k^{1{.}59})$$ O ( k ln ( 3 ) / ln ( 2 ) ) = O ( k 1.59 ) ) worse than an optimal k-clustering minimizing the radius (or diameter). Furthermore we give a negative answer to the question proposed by Dasgupta and Long (J Comput Syst Sci 70(4):555–569, 2005. https://doi.org/10.1016/j.jcss.2004.10.006 ), who show a lower bound of $$\Omega (\log (k))$$ Ω ( log ( k ) ) and ask if the approximation guarantee is in fact $$\Theta (\log (k))$$ Θ ( log ( k ) ) . We present instances where complete linkage performs poorly in the sense that the k-clustering computed by complete linkage is off by a factor of $$\Omega (k)$$ Ω ( k ) from an optimal solution for radius and diameter. We conclude that in general metric spaces complete linkage does not perform asymptotically better than single linkage, merging the two clusters with smallest inter-cluster distance, for which we prove an approximation guarantee of O(k).

Motivated by an application from geodesy, we introduce a novel clustering problem which is a $k$-center (or k-diameter) problem with a side constraint. For the side constraint, we are given an undirected connectivity graph $G$ on the input points, and a clustering is now only feasible if every cluster induces a connected subgraph in $G$. We call the resulting problems the connected $k$-center problem and the connected $k$-diameter problem. We prove several results on the complexity and approximability of these problems. Our main result is an $O(\log^2{k})$-approximation algorithm for the connected $k$-center and the connected $k$-diameter problem. For Euclidean metrics and metrics with constant doubling dimension, the approximation factor of this algorithm improves to $O(1)$. We also consider the special cases that the connectivity graph is a line or a tree. For the line we give optimal polynomial-time algorithms and for the case that the connectivity graph is a tree, we either give an optimal polynomial-time algorithm or a $2$-approximation algorithm for all variants of our model. We complement our upper bounds by several lower bounds.