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The objective function in k-means is the WCSS (within cluster sum of squares). After each iteration, the WCSS decreases and so we have a nonnegative monotonically decreasing sequence. This guarantees that the k-means always converges, but not necessarily to the global optimum.
Another set of methods for determining the number of clusters are information criteria, such as the Akaike information criterion (AIC), Bayesian information criterion (BIC), or the deviance information criterion (DIC) — if it is possible to make a likelihood function for the clustering model. For example: The k-means model is "almost" a ...
Similar to other clustering evaluation metrics such as Silhouette score, the CH index can be used to find the optimal number of clusters k in algorithms like k-means, where the value of k is not known a priori. This can be done by following these steps: Perform clustering for different values of k. Compute the CH index for each clustering result.
The most accepted solution to this problem is the elbow method. It consists of running k-means clustering to the data set with a range of values, calculating the sum of squared errors for each, and plotting them in a line chart. If the chart looks like an arm, the best value of k will be on the "elbow". [2]
For example, k-means clustering naturally optimizes object distances, and a distance-based internal criterion will likely overrate the resulting clustering. Therefore, the internal evaluation measures are best suited to get some insight into situations where one algorithm performs better than another, but this shall not imply that one algorithm ...
In data mining, k-means++ [1] [2] is an algorithm for choosing the initial values (or "seeds") for the k-means clustering algorithm. It was proposed in 2007 by David Arthur and Sergei Vassilvitskii, as an approximation algorithm for the NP-hard k-means problem—a way of avoiding the sometimes poor clusterings found by the standard k-means algorithm.
K-means clustering is an algorithm for grouping genes or samples based on pattern into K groups. Grouping is done by minimizing the sum of the squares of distances between the data and the corresponding cluster centroid. Thus the purpose of K-means clustering is to classify data based on similar expression. [20]
The method consists of plotting the explained variation as a function of the number of clusters and picking the elbow of the curve as the number of clusters to use. The same method can be used to choose the number of parameters in other data-driven models, such as the number of principal components to describe a data set.