Clustering

DONKEY: A Flexible and Accurate Algorithm for Clustering

• Jakub Kára, Kyle Acheson, and Adam Kirrander
• Publication

We propose an accurate clustering algorithm suitable for the varied and multidimensional data sets that correspond to temporal snapshots from on-the-fly nonadiabatic trajectory-based simulations of photoexcited dynamics. The algorithm approximates the underlying probability density function using variable kernel density estimation, with local maxima corresponding to cluster centers…