Code

Shallow ensembles#275

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M-R-Schaefer merged 38 commits intodevapax-hub/apax:devfrom shallow_ensapax-hub/apax:shallow_ensCopy head branch name to clipboardJul 9, 2024

Commits

Commits on May 4, 2024

• correct ordering of labels and predictions

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• added crps and nll loss functions

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• added shallow ens to config

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• added possibility for shallow ens in readout

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• added preliminary shallow ens class

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• added shallow ens to builder

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• fixed tests

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Commits on May 7, 2024

• removed debug print statements

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• correctly pass n_shallow ens in builder

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• remove debug print statements

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• docstring

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Commits on May 8, 2024

• return ensemble predictions from model

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• Merge branch 'dev' into shallow_ens

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Commits on May 10, 2024

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Commits on May 15, 2024

• implemented switch between mean force and ensemble force computation

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• Merge branch 'shallow_ens' of https://github.com/apax-hub/apax into shallow_ens

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Commits on May 17, 2024

• implemented stress prediction for shallow ens

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• compatibility with BAL

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• loss fn divisor

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Commits on May 22, 2024

• added ApaxImport node

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Commits on Jun 1, 2024

• made import node compatible with jaxmd node

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• updated jaxmd to use new callback api

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Commits on Jun 5, 2024

• deleted comment

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• Merge branch 'dev' into shallow_ens

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• remove old import

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• made shallow ensembles compatible with jaxmd

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• Merge branch 'shallow_ens' of https://github.com/apax-hub/apax into shallow_ens

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• fixed bug for using jaxmd without ensembles

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• account for non shallow ensemble

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Commits on Jun 8, 2024

• Merge branch 'dev' into shallow_ens

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Commits on Jun 12, 2024

• Merge branch 'dev' into shallow_ens

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• consistent use of std as uncertainty, not variance

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• linting

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• Merge branch 'shallow_ens' of https://github.com/apax-hub/apax into shallow_ens

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Commits on Jun 20, 2024

• Merge branch 'dev' into shallow_ens

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Commits on Jul 9, 2024

• Merge branch 'dev' into shallow_ens

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