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Make doe tests fail less #509

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Feb 2, 2025
Merged

Make doe tests fail less #509

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b043662
defined OptimalityCriterio two times by acciedent. removed
Jan 31, 2025
ba75aee
make test fail less
Jan 31, 2025
7a11137
fix test
Jan 31, 2025
d92281f
add IOptimailty to criteria tutorial
Jan 31, 2025
c1124b4
add IOptimailty to criteria tutorial
Jan 31, 2025
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34 changes: 0 additions & 34 deletions bofire/data_models/strategies/doe.py
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Original file line number Diff line number Diff line change
Expand Up @@ -54,40 +54,6 @@ def validate_formula(cls, formula: str) -> str:
return formula


class DOptimalityCriterion(DoEOptimalityCriterion):
type: Literal["DOptimalityCriterion"] = "DOptimalityCriterion" # type: ignore


class EOptimalityCriterion(DoEOptimalityCriterion):
type: Literal["EOptimalityCriterion"] = "EOptimalityCriterion" # type: ignore


class AOptimalityCriterion(DoEOptimalityCriterion):
type: Literal["AOptimalityCriterion"] = "AOptimalityCriterion" # type: ignore


class GOptimalityCriterion(DoEOptimalityCriterion):
type: Literal["GOptimalityCriterion"] = "GOptimalityCriterion" # type: ignore


class KOptimalityCriterion(DoEOptimalityCriterion):
type: Literal["KOptimalityCriterion"] = "KOptimalityCriterion" # type: ignore


AnyDoEOptimalityCriterion = Union[
KOptimalityCriterion,
GOptimalityCriterion,
AOptimalityCriterion,
EOptimalityCriterion,
DOptimalityCriterion,
]

AnyOptimalityCriterion = Union[
AnyDoEOptimalityCriterion,
SpaceFillingCriterion,
]


class DOptimalityCriterion(DoEOptimalityCriterion):
type: Literal["DOptimalityCriterion"] = "DOptimalityCriterion" # type: ignore

Expand Down
10 changes: 3 additions & 7 deletions tests/bofire/strategies/test_doe.py
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Expand Up @@ -379,10 +379,6 @@ def test_categorical_doe_iterative():
assert candidates.shape == (5, 3)


if __name__ == "__main__":
test_formulas_implemented()


def test_functional_constraint():
inputs = [
ContinuousInput(key="A", bounds=(0.2, 0.4)),
Expand Down Expand Up @@ -447,7 +443,7 @@ def calc_volume_content(A, B, T, W, W_T):
features=["T", "W_T"], coefficients=[0.97, -0.03], rhs=0
)

n_experiments = 9
n_experiments = 4
domain = Domain.from_lists(
inputs=inputs,
outputs=outputs,
Expand All @@ -463,10 +459,10 @@ def calc_volume_content(A, B, T, W, W_T):
data_model = data_models.DoEStrategy(
domain=domain,
criterion=DOptimalityCriterion(formula="linear"),
optimization_strategy="iterative",
ipopt_options={"maxiter": 500},
)
strategy = DoEStrategy(data_model=data_model)
doe = strategy.ask(candidate_count=n_experiments, raise_validation_error=False)
doe = strategy.ask(candidate_count=n_experiments)
doe["SC"] = calc_solid_content(*[doe[col] for col in ["A", "B", "T", "W", "W_T"]])
doe["VC"] = calc_volume_content(*[doe[col] for col in ["A", "B", "T", "W", "W_T"]])
doe["T_calc"] = 0.0182 - 0.03704 * doe["VC"]
Expand Down
4 changes: 2 additions & 2 deletions tutorials/doe/basic_examples.ipynb
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Expand Up @@ -939,7 +939,7 @@
"data_model = DoEStrategy(\n",
" domain=domain,\n",
" criterion=DOptimalityCriterion(formula=\"linear\"),\n",
" ipopt_options={\"maxiter\": 100, \"disp\": 0},\n",
" ipopt_options={\"maxiter\": 500, \"disp\": 0},\n",
")\n",
"strategy = strategies.map(data_model=data_model)\n",
"result = strategy.ask(12)\n",
Expand All @@ -963,7 +963,7 @@
"name": "python",
"nbconvert_exporter": "python",
"pygments_lexer": "ipython3",
"version": "3.11.11"
"version": "3.9.19"
},
"papermill": {
"default_parameters": {},
Expand Down
4 changes: 3 additions & 1 deletion tutorials/doe/optimality_criteria.ipynb
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Original file line number Diff line number Diff line change
Expand Up @@ -36,6 +36,7 @@
" AOptimalityCriterion,\n",
" DOptimalityCriterion,\n",
" EOptimalityCriterion,\n",
" IOptimalityCriterion,\n",
" KOptimalityCriterion,\n",
" SpaceFillingCriterion,\n",
")\n",
Expand Down Expand Up @@ -114,6 +115,7 @@
" AOptimalityCriterion,\n",
" KOptimalityCriterion,\n",
" EOptimalityCriterion,\n",
" IOptimalityCriterion,\n",
"]:\n",
" criterion = crit(formula=model_type)\n",
" data_model = DoEStrategy(\n",
Expand Down Expand Up @@ -244,7 +246,7 @@
"name": "python",
"nbconvert_exporter": "python",
"pygments_lexer": "ipython3",
"version": "3.11.11"
"version": "3.9.19"
},
"papermill": {
"default_parameters": {},
Expand Down
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