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Interactive Sketchmaps

ABOUT SKETCHMAP

Sketch-map is a non-linear dimensionality reduction algorithm that is particularly well suited for examining high-dimensionality data that is routinely produced in atomistic simulations. It transforms the connectivity between a set of high dimensionality data points in 2-dimension while putting higher importance to proximity matching. While the similarity between a pair of atomic structures can be measured in various ways, we used SOAP-REMatch kernel, developed in our group for this purpose.

References

Machine Learning Papers