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What modelling techniques can I use?

Tuesday, 29 September 2009 21:14
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Nick Foster
The following techniques can be used to build models in StarDrop:
  • Partial Least Squares - This is a robust technique for generation of linear models based on multiple descriptors
  • Radial Basis Functions - This unique approach is an efficient numerical technique to generate a non-linear function that ‘maps’ the property variations in a descriptor space. A more computationally intensive version of this approach can also be used where a genetic algorithm initially searches for the optimal descriptor space in which to describe those variations.
  • Gaussian Processes - This powerful ‘machine learning’ technique generates robust non-linear models using a Bayesian statistical approach.
  • Decision Trees - This is a recursive partitioning approach to building classification models in cases where good ‘continuous’ data are not available.
  • Random Forests - This is an ensemble method that makes predictions based on the output of a collection of random trees.
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