Code

batch active learning#175

Code

Merged

M-R-Schaefer merged 20 commits intodevapax-hub/apax:devfrom balapax-hub/apax:balCopy head branch name to clipboardOct 6, 2023

+489-194

Commits

Commits on Sep 27, 2023

• moved parameter handling out of ase calc into checkpoints

  M-R-Schaefer

  committed
  aa27001

• renamed transformations to function_transformations

  M-R-Schaefer

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  8c17813

• made additional labels optional

  M-R-Schaefer

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  fcebd8b

• added batch method to datapipeline that doesn't shuffle

  M-R-Schaefer

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  2cd6d79

• added last layer gradients feature map

  M-R-Schaefer

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  7a1482a

• added kernel matrix

  M-R-Schaefer

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  5a8b8c8

• added feature trasnforms

  M-R-Schaefer

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  c83c2df

• added greedy max dist selection

  M-R-Schaefer

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  8428893

• added rudimentary BAL api

  M-R-Schaefer

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  3067256

• added api to submodule imports

  M-R-Schaefer

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  a9a5f7e

Commits on Sep 29, 2023

• doc strings, type hints, citations

  M-R-Schaefer

  committed
  0150418

• linting

  M-R-Schaefer

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  4ae9d8d

Commits on Oct 4, 2023

• switched NL precomputing pbar to use mininterval

  M-R-Schaefer

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  3465898

• switched from context manager to manually closing the pbar

  M-R-Schaefer

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  4d55828

• todo comment

  M-R-Schaefer

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  320fd97

• added progress bar to feature computing and more type hints

  M-R-Schaefer

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  00a2526

• switched all tqdm pbars from context manager to manually closing

  M-R-Schaefer

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  63e3981

• Merge branch 'dev' into bal

  M-R-Schaefer

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  ea4e273

• simplified FeatureMapOptions

  M-R-Schaefer

  committed
  0298f5f

Commits on Oct 5, 2023

• kernel matrix typo

  M-R-Schaefer

  committed
  49d2ee0