Behrooz Kamgar-Parsi

Behzad Kamgar-Parsi, Behrooz Kamgar-Parsi

Finding the number of meaningful clusters in an unlabeled dataset is important in many applications. Regularized k-means algorithm is a possible approach frequently used to find the correct number of distinct clusters in datasets. The most common formulation of the regularization function is the additive linear term $λk$, where $k$ is the number of clusters and $λ$ a positive coefficient. Currently, there are no principled guidelines for setting a value for the critical hyperparameter $λ$. In this paper, we derive rigorous bounds for $λ$ assuming clusters are {\em ideal}. Ideal clusters (defined as $d$-dimensional spheres with identical radii) are close proxies for k-means clusters ($d$-dimensional spherically symmetric distributions with identical standard deviations). Experiments show that the k-means algorithm with additive regularizer often yields multiple solutions. Thus, we also analyze k-means algorithm with multiplicative regularizer. The consensus among k-means solutions with additive and multiplicative regularizations reduces the ambiguity of multiple solutions in certain cases. We also present selected experiments that demonstrate performance of the regularized k-means algorithms as clusters deviate from the ideal assumption.

Behzad Kamgar-Parsi, Behrooz Kamgar-Parsi

In many applications we want to find the number of clusters in a dataset. A common approach is to use the penalized k-means algorithm with an additive penalty term linear in the number of clusters. An open problem is estimating the value of the coefficient of the penalty term. Since estimating the value of the coefficient in a principled manner appears to be intractable for general clusters, we investigate "ideal clusters", i.e. identical spherical clusters with no overlaps and no outlier background noise. In this paper: (a) We derive, for the case of ideal clusters, rigorous bounds for the coefficient of the additive penalty. Unsurprisingly, the bounds depend on the correct number of clusters, which we want to find in the first place. We further show that additive penalty, even for this simplest case of ideal clusters, typically produces a weak and often ambiguous signature for the correct number of clusters. (b) As an alternative, we examine the k-means with multiplicative penalty, and show that this parameter-free formulation has a stronger, and less often ambiguous, signature for the correct number of clusters. We also empirically investigate certain types of deviations from ideal cluster assumption and show that combination of k-means with additive and multiplicative penalties can resolve ambiguous solutions.