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Mathematics in Independent Component Analysis

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1.5. Mach<strong>in</strong>e learn<strong>in</strong>g for data preprocess<strong>in</strong>g 39<br />

samples<br />

(a) setup<br />

centroids<br />

Grassmann cluster<strong>in</strong>g<br />

(b) division<br />

division<br />

update<br />

(c) update (d) after one iteration<br />

Figure 1.19: Illustration of the batch k-means algorithm.<br />

One of the most commonly used partitional cluster<strong>in</strong>g techniques is the k-means algorithm,<br />

which <strong>in</strong> its batch form partitions the data set <strong>in</strong>to k disjo<strong>in</strong>t clusters by simply iterat<strong>in</strong>g between<br />

cluster assignments and cluster updates (Bishop, 1995). In general, its goal can be described as<br />

follows:<br />

Given a set A of po<strong>in</strong>ts <strong>in</strong> some metric space (M, d), f<strong>in</strong>d a partition of A <strong>in</strong>to disjo<strong>in</strong>t nonempty<br />

subsets Bi, �<br />

i Bi = A, together with centroids ci ∈ M so as to m<strong>in</strong>imize the sum of the<br />

squares of the distances of each po<strong>in</strong>t of A to the centroid ci of the cluster Bi conta<strong>in</strong><strong>in</strong>g it.<br />

A common approach to m<strong>in</strong>imiz<strong>in</strong>g such energy functions is partial optimization with respect<br />

to the division matrix and the centroids. The batch k-means algorithm employs precisely this<br />

strategy, see figure 1.19. After an <strong>in</strong>itial, random choice of centroids c1, . . . , ck, it iterates<br />

between the follow<strong>in</strong>g two steps until convergence measured by a suitable stopp<strong>in</strong>g criterion:<br />

• cluster assignment: for each sample x(t) determ<strong>in</strong>e an <strong>in</strong>dex i(t) = argm<strong>in</strong> i d(x(t), ci)<br />

• cluster update: with<strong>in</strong> each cluster Bi := {a(t)|i(t) = i} determ<strong>in</strong>e the centroid ci by<br />

ci := argm<strong>in</strong> c<br />

�<br />

d(a, c) 2<br />

a∈Bi<br />

(1.17)<br />

Solv<strong>in</strong>g (1.17) is straight-forward <strong>in</strong> the Euclidean case, however nontrivial <strong>in</strong> other metric<br />

spaces. In Gruber and Theis (2006), see chapter 18, we generalized the concept of k-means by<br />

apply<strong>in</strong>g it not to the standard Euclidean space but to the manifold of subvectorspaces of R n of<br />

a fixed dimension p, also known as the Grassmann manifold Gn,p. Important examples <strong>in</strong>clude<br />

projective space i.e. the manifold of l<strong>in</strong>es and the space of all hyperplanes.<br />

We represented an element of Gn,p by p orthonormal vectors (v1, . . . , vp). Concatenat<strong>in</strong>g<br />

these <strong>in</strong>to an (n × p)-matrix V, this matrix is unique except for right multiplication by an<br />

orthogonal matrix. We therefore wrote [V] ∈ Gn,p for the subspace. This allowed us to def<strong>in</strong>e a<br />

distance d([V], [W]) := 2 −1/2 �VV ⊤ − WW ⊤ �F on the Grassmannian known as the projection<br />

F-norm.

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