uqfoundation / mystic

constrained nonlinear optimization for scientific machine learning, UQ, and AI
http://mystic.rtfd.io
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expand specification of pts for ouq_model sampling #208

Closed mmckerns closed 1 year ago

mmckerns commented 1 year ago

Summary

The sampling in OUQModels is specified with pts, where pts=4 would use traditional "random" sampling algorithms (here to sample 4 points), while a negative number would instead use optimizer-directed sampling -- thus, pts=-4 would launch 4 minimizations and 4 maximizations.

Parsing a string is more flexible, so enable the use of strings to specify the use of optimizers. Thus, pts='4' would be equivalent to pts=-4. New capabilities are to be added, so that pts='.4' only returns the termini of the parameter trajectories (i.e. the best solution per solver), also pts='+4' only launches a search for maxima (here 4 maximizers) and pts='-4' only launches a search for minima (here 4 minimizers).

New examples are added to demonstrate the use of surrogate-assisted minimization, where maxima and minima are searched for on the surrogate -- explicitly using ensemble samplers and, alternately, using surrogate.sample.

Checklist

Documentation and Tests