Code

Refactor GP Surrogates#235

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AdrianSosic merged 19 commits intomainemdgroup/baybe:mainfrom refactor/gaussian_processemdgroup/baybe:refactor/gaussian_processCopy head branch name to clipboardMay 16, 2024

+265-62

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Commits on May 16, 2024

• Turn gaussian_process.py into subpackage

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• Introduce KernelFactory protocol

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• Make KernelFactory also take training data as inputs

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• Add convenience conversion from kernels to factories

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• Extend is_abstract method to handle protocol classes

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• Update surrogate fixture to use new attribute name

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• Move kernel factory code to separate module

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• Draft preset mechanism

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• Create preset subpackage

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• Rework documentation of default preset

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• Fix references

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• Add missing attribute docstring

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• Rename boolean mordred variable to uses_descriptors

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• Add a to_factory method to the Kernel class

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• Rename DEFAULT preset to BAYBE

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• Make docstring more specific

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• Use is_protocol from typing_extensions

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• Expose kernel_factory attribute as kernel_or_factory

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• Update CHANGELOG.md

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