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[WIP] Add Turbo Compass. #15

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[WIP] Add Turbo Compass. #15

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sprillo
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@sprillo sprillo commented Jul 22, 2020

Was able to install on the server and run the test suite.

@sprillo sprillo self-assigned this Jul 22, 2020
lam=10.0,
n_epochs=100,
verbose=False))),
train_ratio=0.8,
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One simple improvement after discussing with Richard Zhang is to make the size of the cross-validation set adaptive:

  • When we start off we have little data, so maybe a 80/20 split produces too small a validation set size.
  • Once we have more data, a 80/20 split might be too big, i.e. we are being too conservative as the algorithm progresses (because we shrink the training set size more than necessary), and as a consequence calling Compass more than we should to meet the user's specified reconstruction quality.

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It sounds to me that what would be ideal would be to use a fixed CV size for each reaction, say size 50. In that case I would need to implement another concretion for CVMatrixCompletionModel which performs CV splitting based on a fixed CV size, rather than on a percentage.

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(or, rather than creating a new concretion, cleverly factor out the CV-splitting behavior to get the new behavior via composition)

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Or maybe, it's easier to just add a max_cv_size argument to the TrainValSplitCVMatrixCompletionModel API.

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