Ellipsoid fitting with the Cayley transform

We introduce an algorithm, Cayley transform ellipsoid fitting (CTEF), that uses the Cayley transform to fit ellipsoids to noisy data in any dimension. Unlike many ellipsoid fitting methods, CTEF is ellipsoid specific -- meaning it always returns elliptic solutions -- and can fit arbitrary ellipsoids. It also outperforms other fitting methods when data are not uniformly distributed over the surface of an ellipsoid. Inspired by calls for interpretable and reproducible methods in machine learning, we apply CTEF to dimension reduction, data visualization, and clustering. Since CTEF captures global curvature, it is able to extract nonlinear features in data that other methods fail to identify. This is illustrated in the context of dimension reduction on human cell cycle data, and in the context of clustering on classical toy examples. In the latter case, CTEF outperforms 10 popular clustering algorithms.