gpCAM grid method without pairwise distance matrix#1218
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shuds13 merged 6 commits intogpCAM_gridfrom Feb 7, 2024
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An attempt to implement the gpCAM with grid method without constructing the huge pairwise distance matrix.
The points are compared for distance only against points already added to the eligible points list.
At five dimensions we still run into memory problems when call my_gp2S.posterior_covariance which constructs it's own pairwise distance matrix, so these are now handled in groups.
NaNs returned from simulations are removed from points before updating the GP.
A test point file can be provided (can be a history file from previous run), and mean squared error is taken at those points each step.