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54 lines
2.7 KiB
Markdown
54 lines
2.7 KiB
Markdown
# Centroid-based Clustering
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In centroid-based clustering, clusters are represented by some central vector which may or may not be a member of the dataset. In practice, the number of clusters is fixed to $k$ and the goal is to solve some sort of optimization problem.
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The similarity of two clusters is defined as the similarity of their centroids.
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This problem is computationally difficult so there are efficient heuristic algorithms that are commonly employed. These usually converge quickly to a local optimum.
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## K-means clustering
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This aims to partition $n$ observations into $k$ clusters in which each observation belongs to the cluster with the nearest mean which serves as the centroid of the cluster.
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This technique results in partitioning the data space into Voronoi cells.
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### Description
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Given a set of observations $x$, k-means clustering aims to partition the $n$ observations into $k$ sets $S$ so as to minimize the within-cluster sum of squares (i.e. variance). More formally, the objective is to find
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$$
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argmin_s{\sum_{i = 1}^k{\sum_{x \in S_i}{||x-\mu_i||^2}}}= argmin_{s}{\sum_{i = 1}^k{|S_i|Var(S_i)}}
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$$
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where $\mu_i$ is the mean of points in $S_i$. This is equivalent to minimizing the pairwise squared deviations of points in the same cluster
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$$
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argmin_s{\sum_{i = 1}^k{\frac{1}{2|S_i|}\sum_{x, y \in S_i}{||x-y||^2}}}
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$$
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### Algorithm
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Given an initial set of $k$ means, the algorithm proceeds by alternating between two steps.
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**Assignment step**: Assign each observation to the cluster whose mean has the least squared euclidean distance.
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- Intuitively this is finding the nearest mean
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- Mathematically this means partitioning the observations according to the Voronoi diagram generated by the means
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**Update Step**: Calculate the new means to be the centroids of the observations in the new clusters
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The algorithm is known to have converged when assignments no longer change. There is no guarantee that the optimum is found using this algorithm.
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The result depends on the initial clusters. It is common to run this multiple times with different starting conditions.
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Using a different distance function other than the squared Euclidean distance may stop the algorithm from converging.
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### Initialization methods
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Commonly used initialization methods are Forgy and Random Partition.
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**Forgy Method**: This method randomly chooses $k$ observations from the data set and uses these are the initial means
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This method is known to spread the initial means out
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**Random Partition Method**: This method first randomly assigns a cluster to each observation and then proceeds to the update step.
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This method is known to place most of the means close to the center of the dataset.
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