From 7460dbec8a7a42b52d734d035a4a135a0d19faae Mon Sep 17 00:00:00 2001
From: kohlhaasrebecca <rebecca.kohlhaas@outlook.com>
Date: Wed, 17 Jul 2024 15:30:48 +0200
Subject: [PATCH] Removed voronoi from useable exploration types
See issue #46, voronoi exploration was removed for v1.1.0, but should be reactivated in future releases. The corresponding tests were changed accordingly.
---
.../surrogate_models/sequential_design.py | 8 ++++++++
tests/test_MetaModel.py | 3 +--
tests/test_SequentialDesign.py | 15 ++++++++++++---
3 files changed, 21 insertions(+), 5 deletions(-)
diff --git a/src/bayesvalidrox/surrogate_models/sequential_design.py b/src/bayesvalidrox/surrogate_models/sequential_design.py
index f4669a7f2..347d9ac78 100644
--- a/src/bayesvalidrox/surrogate_models/sequential_design.py
+++ b/src/bayesvalidrox/surrogate_models/sequential_design.py
@@ -278,6 +278,9 @@ class SequentialDesign:
# ToDo: Move this if/else into its own function called "do_exploration", which should select the
# exploration samples, and assign exploration scores. We should send it explore_score, for if/else stmts
# ToDo: Check if explore_scores can be nan, and remove them from any score normalization
+ if explore_method.lower() == 'voronoi':
+ raise AttributeError('Exploration with voronoi currently not supported!')
+ #print('WARNING: Exploration with Voronoi ')
if explore_method.lower() == 'loocv':
# -----------------------------------------------------------------
# TODO: LOOCV model construnction based on Feng et al. (2020)
@@ -530,12 +533,17 @@ class SequentialDesign:
temp = totalScore.copy()
temp[np.isnan(totalScore)] = -np.inf # Since we are maximizing
sorted_idxtotalScore = np.argsort(temp)[::-1]
+ print(sorted_idxtotalScore)
+ print(n_new_samples)
bestIdx = sorted_idxtotalScore[:n_new_samples]
+ if type(bestIdx) is int:
+ bestIdx = [bestIdx]
# select the requested number of samples
if explore_method.lower() == 'voronoi':
Xnew = np.zeros((n_new_samples, ndim))
for i, idx in enumerate(bestIdx):
+ print(explore.closestPoints)
X_can = explore.closestPoints[idx]
# Calculate the maxmin score for the region of interest
diff --git a/tests/test_MetaModel.py b/tests/test_MetaModel.py
index bf6c3c39c..f7a300e8e 100644
--- a/tests/test_MetaModel.py
+++ b/tests/test_MetaModel.py
@@ -769,8 +769,7 @@ def test_adaptive_regression_fewsamples() -> None:
with pytest.raises(AttributeError) as excinfo:
mm.adaptive_regression(outputs, 0)
- assert str(
- excinfo.value) == ('There are too few samples for the corrected loo-cv error. Fit surrogate on at least as '
+ assert str(excinfo.value) == ('There are too few samples for the corrected loo-cv error. Fit surrogate on at least as '
'many samples as parameters to use this')
diff --git a/tests/test_SequentialDesign.py b/tests/test_SequentialDesign.py
index fe9ad5338..5d713e747 100644
--- a/tests/test_SequentialDesign.py
+++ b/tests/test_SequentialDesign.py
@@ -298,9 +298,14 @@ def test_choose_next_sample_vor_space() -> None:
engine.start_engine()
seqDes = SequentialDesign(mm, mod, expdes, engine)
seqDes.out_names = ['Z']
- x, nan = seqDes.choose_next_sample()
- assert x.shape[0] == 1 and x.shape[1] == 1
+ #x, nan = seqDes.choose_next_sample()
+ #assert x.shape[0] == 1 and x.shape[1] == 1
+
+ # TODO: removed this functionality for v1.1.0
+ with pytest.raises(AttributeError) as excinfo:
+ x, nan = seqDes.choose_next_sample()
+ assert str(excinfo.value) == ('Exploration with voronoi currently not supported!')
def test_choose_next_sample_latin_space() -> None:
"""
@@ -581,7 +586,11 @@ def test_choose_next_sample_vor_BODMI() -> None:
# seqDes.choose_next_sample(sigma2=None, n_candidates=5, var='DKL')
sigma2Dict = {'Z': np.array([0.05])}
sigma2Dict = pd.DataFrame(sigma2Dict, columns=['Z'])
- seqDes.choose_next_sample(sigma2=sigma2Dict, var=expdes.util_func)
+
+ # TODO: removed this functionality for v1.1.0
+ with pytest.raises(AttributeError) as excinfo:
+ seqDes.choose_next_sample(sigma2=sigma2Dict, var=expdes.util_func)
+ assert str(excinfo.value) == ('Exploration with voronoi currently not supported!')
--
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