Proximity Graphs for Clustering and Manifold Learning

Many machine learning algorithms for clustering or dimensionality reduction take as input a cloud of points in Euclidean space, and construct a graph with the input data points as vertices. This graph is then partitioned (clustering) or used to redefine metric information (dimensionality reduction). There has been much recent work on new methods for graph-based clustering and dimensionality reduction, but not much on constructing the graph itself. Graphs typically used include the fully-connected graph, a local fixed-grid graph (for image segmentation) or a nearest-neighbor graph. We suggest that the graph should adapt locally to the structure of the data. This can be achieved by a graph ensemble that combines multiple minimum spanning trees, each fit to a perturbed version of the data set. We show that such a graph ensemble usually produces a better representation of the data manifold than standard methods; and that it provides robustness to a subsequent clustering or dimensionality reduction algorithm based on the graph.