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For automated selection of descriptors - setting cutoff #119

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ddmorgan opened this issue Nov 16, 2017 · 0 comments
Open

For automated selection of descriptors - setting cutoff #119

ddmorgan opened this issue Nov 16, 2017 · 0 comments

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@ddmorgan
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Set so that features stop at some "converged" value. Convergence should be set by whichever gives the the lowest of below

  1. A max value (50 default)
  2. RMS error between n+N and n descriptors changes by E < A x std dev. for N steps past n* (ie, n*,n*+1,...n*+N have changes < E) (Defaults of A=0.01, N=5).
  3. RMS error between n+N and n descriptors changes by E < B * avg error in the mean of RMS error across CV. Or something like this? Not sure?
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