#1. Scripts and Data Sets The script and data set files and their description are given below:

• Directory electronicprop
  • File MetalOxidesRegressionMPI.R
    • R script to obtain kernel regression models (uses npRmpi package)
  • File metal_oxides.txt
    • Data set of electronic properties of metal oxides
  • File ExhaustiveEnumerationSearch.R
    • R script implementing the exhaustive enumeration algorithm
  • File npregkernel.R
    • R script for the manual implementation of the kernel regression function
• Directory elasticprop
  • File AllElasticityRegressionMPI.R
    • R script to obtain kernel regression models (uses npRmpi package)
  • File allelasticity.txt
    • Data set of elastic properties of several crystals

#2. Optimal Bandwidths# The best bandwidths obtained with 5 multi-start optimization runs (function npreg), i.e., the bandwidths for which the objective function had the lowest value, for each of the two data sets are given in the following files. The first column contains the predictors (sg stands for space group number).

##2.1 Electronic Properties of Metal Oxides## File electronicbw.txt.

##2.2 Elastic Properties## File elasticbw.txt.