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Summary: This commit introduces a new function ensemble_loo_cv in botorch/cross_validation.py for performing efficient leave-one-out cross-validation (LOOCV) on ensemble models, in addition to loo_cv, which automatically dispatches to the correct efficient CV implementation (ensemble, or non-ensemble), dependent on the _is_ensemble attribute.

Differential Revision: D88506875

@meta-cla meta-cla bot added the CLA Signed Do not delete this pull request or issue due to inactivity. label Dec 8, 2025
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meta-codesync bot commented Dec 8, 2025

@SebastianAment has exported this pull request. If you are a Meta employee, you can view the originating Diff in D88506875.

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codecov bot commented Dec 8, 2025

Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 99.99%. Comparing base (ba07689) to head (e23c6b0).
⚠️ Report is 4 commits behind head on main.

Additional details and impacted files
@@           Coverage Diff            @@
##             main    #3103    +/-   ##
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  Coverage   99.99%   99.99%            
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  Files         219      219            
  Lines       21013    21127   +114     
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+ Hits        21012    21126   +114     
  Misses          1        1            

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SebastianAment added a commit to SebastianAment/botorch that referenced this pull request Dec 8, 2025
…torch#3103)

Summary:

This commit introduces a new function `ensemble_loo_cv` in `botorch/cross_validation.py` for performing efficient leave-one-out cross-validation (LOOCV) on ensemble models, in addition to `loo_cv`, which automatically dispatches to the correct efficient CV implementation (ensemble, or non-ensemble), dependent on the `_is_ensemble` attribute.

Differential Revision: D88506875
SebastianAment added a commit to SebastianAment/botorch that referenced this pull request Dec 8, 2025
…torch#3103)

Summary:

This commit introduces a new function `ensemble_loo_cv` in `botorch/cross_validation.py` for performing efficient leave-one-out cross-validation (LOOCV) on ensemble models, in addition to `loo_cv`, which automatically dispatches to the correct efficient CV implementation (ensemble, or non-ensemble), dependent on the `_is_ensemble` attribute.

Differential Revision: D88506875
…-pytorch#3098)

Summary:

BoTorch currently supports a naive version of leave-one-out (LOO) cross-validation, which entails generating all folds directly and evaluating the model on all folds separately.

However, for Gaussian processes, there is an efficient way to compute all LOO results (LOO predictive means and variances) with a single linear-algebraic formula with a O(n^3) complexity, whereas the naive approach takes O(n^3) per fold, so O(n^4) in total.

This commit implements the effient LOO CV method for non-ensemble BoTorch models whose prior marginal distributions are a multi-variate Normals.

Reviewed By: Balandat

Differential Revision: D88273413
…torch#3103)

Summary:

This commit introduces a new function `ensemble_loo_cv` in `botorch/cross_validation.py` for performing efficient leave-one-out cross-validation (LOOCV) on ensemble models, in addition to `loo_cv`, which automatically dispatches to the correct efficient CV implementation (ensemble, or non-ensemble), dependent on the `_is_ensemble` attribute.

Reviewed By: Balandat

Differential Revision: D88506875
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meta-codesync bot commented Dec 9, 2025

This pull request has been merged in 645d9e5.

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