Add BoTorch kernel preset, which uses dimensions-scaled prior#483

Draft

Hrovatin wants to merge 40 commits intomainfrom feature/botorch_kernel_preset

+1,692-194

Commits on Feb 12, 2025

Commits on Feb 21, 2025

Explicitly close plot objects

Scienfitz
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Hrovatin
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Extract experimental input validation utility

Scienfitz
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Hrovatin
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Fix simulation with empty initial data

Scienfitz
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Hrovatin
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Expand basic input output tests

Scienfitz
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Hrovatin
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Add test for invalid pending_experiments

Scienfitz
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Hrovatin
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Add pending_experiments validation

Scienfitz
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Hrovatin
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Fix docstring

Scienfitz
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Hrovatin
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Add utility for creating fake input

Scienfitz
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Hrovatin
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Add fixture for fake measurements

Scienfitz
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Hrovatin
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Update type hints

Scienfitz
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Improve text

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Add note

Scienfitz
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Hrovatin
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Add validation everywhere

Scienfitz
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Hrovatin
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Avoid duplicated validation

Scienfitz
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Make wrapper private

Scienfitz
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Rework test parameterization

Scienfitz
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Improve code

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Remove input validation in meta recommenders

Scienfitz
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Include input validation in BayesianRecommender

Scienfitz
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Hrovatin
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Reorder docstring

Scienfitz
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Change logger to warnings.warn

Scienfitz
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Hrovatin
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Amend docstring

Scienfitz
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Hrovatin
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Remove obsolete parameter

Scienfitz
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Hrovatin
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Remove non-negativity restriction from beta

AdrianSosic
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Hrovatin
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Rewrite docstring

AdrianSosic
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Hrovatin
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Fix validator

Scienfitz
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Hrovatin
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Remove obsolete test

Scienfitz
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Hrovatin
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Add direct arylation benchmark for TL with temperature as a task
Hrovatin
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Update changelog
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remove random seed that was set in the paper as it is redundant with the benchmark
Hrovatin
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Benchmark for transfer learning on arylhalides with dissimilar susbstances as tasks
Hrovatin
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Transfer learning benchmark with inverted Hartmann functions as tasks
Hrovatin
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Add non-transfer learning campaign and transfer learning campaign without source data
Hrovatin
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Transfer learning benchmark with noisy Michalewicz functions as tasks
Hrovatin
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Transfer learning benchmark with noisy Easom functions as tasks.
Hrovatin
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add to changelog
Hrovatin
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Add a few botorch kernel preset benchmarks and adapt scripts for a test benchmark run
Hrovatin
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