Clustering based on conditional distributions in an auxiliary space
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Updated: Aug 7, 2026

Spatial Separation of Molecular Conformers and Clusters
Published on: January 9, 2014
Janne Sinkkonen1, Samuel Kaski
1Neural Networks Research Centre, Helsinki University of Technology, FIN-02015 HUT, Finland. janne.sinkkonen@hut.fi
Abstract:
We study the problem of learning groups or categories that are local in the continuous primary space but homogeneous by the distributions of an associated auxiliary random variable over a discrete auxiliary space. Assuming that variation in the auxiliary space is meaningful, categories will emphasize similarly meaningful aspects of the primary space. From a data set consisting of pairs of primary and auxiliary items, the categories are learned by minimizing a Kullback-Leibler divergence-based distortion between (implicitly estimated) distributions of the auxiliary data, conditioned on the primary data. Still, the categories are defined in terms of the primary space. An online algorithm resembling the traditional Hebb-type competitive learning is introduced for learning the categories. Minimizing the distortion criterion turns out to be equivalent to maximizing the mutual information between the categories and the auxiliary data. In addition, connections to density estimation and to the distributional clustering paradigm are outlined. The method is demonstrated by clustering yeast gene expression data from DNA chips, with biological knowledge about the functional classes of the genes as the auxiliary data.
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