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Copy pathtest_doe_errors.py
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751 lines (552 loc) · 25.8 KB
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# ___________________________________________________________________________
#
# Pyomo: Python Optimization Modeling Objects
# Copyright (c) 2008-2025
# National Technology and Engineering Solutions of Sandia, LLC
# Under the terms of Contract DE-NA0003525 with National Technology and
# Engineering Solutions of Sandia, LLC, the U.S. Government retains certain
# rights in this software.
# This software is distributed under the 3-clause BSD License.
# ___________________________________________________________________________
import json
import os.path
from pyomo.common.dependencies import (
numpy as np,
numpy_available,
pandas as pd,
pandas_available,
)
from pyomo.common.fileutils import this_file_dir
import pyomo.common.unittest as unittest
from pyomo.contrib.doe import DesignOfExperiments
from pyomo.contrib.doe.tests.experiment_class_example_flags import (
BadExperiment,
FullReactorExperiment,
)
from pyomo.opt import SolverFactory
ipopt_available = SolverFactory("ipopt").available()
currdir = this_file_dir()
file_path = os.path.join(currdir, "..", "examples", "result.json")
with open(file_path) as f:
data_ex = json.load(f)
data_ex["control_points"] = {float(k): v for k, v in data_ex["control_points"].items()}
def get_standard_args(experiment, fd_method, obj_used, flag):
args = {}
args['experiment'] = experiment
args['fd_formula'] = fd_method
args['step'] = 1e-3
args['objective_option'] = obj_used
args['scale_constant_value'] = 1
args['scale_nominal_param_value'] = True
args['prior_FIM'] = None
args['jac_initial'] = None
args['fim_initial'] = None
args['L_diagonal_lower_bound'] = 1e-7
args['solver'] = None
args['tee'] = False
args['get_labeled_model_args'] = {"flag": flag}
args['_Cholesky_option'] = True
args['_only_compute_fim_lower'] = True
return args
@unittest.skipIf(not numpy_available, "Numpy is not available")
class TestReactorExampleErrors(unittest.TestCase):
def test_reactor_check_no_get_labeled_model(self):
fd_method = "central"
obj_used = "trace"
flag_val = 1 # Value for faulty model build mode - 1: No exp outputs
experiment = BadExperiment()
with self.assertRaisesRegex(
ValueError,
"The experiment object must have a ``get_labeled_model`` function",
):
DoE_args = get_standard_args(experiment, fd_method, obj_used, flag_val)
doe_obj = DesignOfExperiments(**DoE_args)
def test_reactor_check_no_experiment_outputs(self):
fd_method = "central"
obj_used = "trace"
flag_val = 1 # Value for faulty model build mode - 1: No exp outputs
experiment = FullReactorExperiment(data_ex, 10, 3)
DoE_args = get_standard_args(experiment, fd_method, obj_used, flag_val)
doe_obj = DesignOfExperiments(**DoE_args)
with self.assertRaisesRegex(
RuntimeError,
"Experiment model does not have suffix " + '"experiment_outputs".',
):
doe_obj.create_doe_model()
def test_reactor_check_no_measurement_error(self):
fd_method = "central"
obj_used = "trace"
flag_val = 2 # Value for faulty model build mode - 2: No meas error
experiment = FullReactorExperiment(data_ex, 10, 3)
DoE_args = get_standard_args(experiment, fd_method, obj_used, flag_val)
doe_obj = DesignOfExperiments(**DoE_args)
with self.assertRaisesRegex(
RuntimeError,
"Experiment model does not have suffix " + '"measurement_error".',
):
doe_obj.create_doe_model()
def test_reactor_check_no_experiment_inputs(self):
fd_method = "central"
obj_used = "trace"
flag_val = 3 # Value for faulty model build mode - 3: No exp inputs/design vars
experiment = FullReactorExperiment(data_ex, 10, 3)
DoE_args = get_standard_args(experiment, fd_method, obj_used, flag_val)
doe_obj = DesignOfExperiments(**DoE_args)
with self.assertRaisesRegex(
RuntimeError,
"Experiment model does not have suffix " + '"experiment_inputs".',
):
doe_obj.create_doe_model()
def test_reactor_check_no_unknown_parameters(self):
fd_method = "central"
obj_used = "trace"
flag_val = 4 # Value for faulty model build mode - 4: No unknown params
experiment = FullReactorExperiment(data_ex, 10, 3)
DoE_args = get_standard_args(experiment, fd_method, obj_used, flag_val)
doe_obj = DesignOfExperiments(**DoE_args)
with self.assertRaisesRegex(
RuntimeError,
"Experiment model does not have suffix " + '"unknown_parameters".',
):
doe_obj.create_doe_model()
def test_reactor_check_bad_prior_size(self):
fd_method = "central"
obj_used = "trace"
flag_val = 0 # Value for faulty model build mode - 0: full model
prior_FIM = np.ones((5, 5))
experiment = FullReactorExperiment(data_ex, 10, 3)
DoE_args = get_standard_args(experiment, fd_method, obj_used, flag_val)
DoE_args['prior_FIM'] = prior_FIM
doe_obj = DesignOfExperiments(**DoE_args)
with self.assertRaisesRegex(
ValueError,
"Shape of FIM provided should be n parameters by n parameters, or {} by {}, FIM provided has shape {} by {}".format(
4, 4, prior_FIM.shape[0], prior_FIM.shape[1]
),
):
doe_obj.create_doe_model()
def test_reactor_check_bad_prior_negative_eigenvalue(self):
from pyomo.contrib.doe.doe import _SMALL_TOLERANCE_DEFINITENESS
fd_method = "central"
obj_used = "trace"
flag_val = 0 # Value for faulty model build mode - 0: full model
prior_FIM = -np.ones((4, 4))
experiment = FullReactorExperiment(data_ex, 10, 3)
DoE_args = get_standard_args(experiment, fd_method, obj_used, flag_val)
DoE_args['prior_FIM'] = prior_FIM
doe_obj = DesignOfExperiments(**DoE_args)
with self.assertRaisesRegex(
ValueError,
r"FIM provided is not positive definite. It has one or more negative eigenvalue\(s\) less than -{:.1e}".format(
_SMALL_TOLERANCE_DEFINITENESS
),
):
doe_obj.create_doe_model()
def test_reactor_check_bad_prior_not_symmetric(self):
from pyomo.contrib.doe.utils import _SMALL_TOLERANCE_SYMMETRY
fd_method = "central"
obj_used = "trace"
flag_val = 0 # Value for faulty model build mode - 0: full model
prior_FIM = np.zeros((4, 4))
prior_FIM[0, 1] = 1e-3
experiment = FullReactorExperiment(data_ex, 10, 3)
DoE_args = get_standard_args(experiment, fd_method, obj_used, flag_val)
DoE_args['prior_FIM'] = prior_FIM
doe_obj = DesignOfExperiments(**DoE_args)
with self.assertRaisesRegex(
ValueError,
"FIM provided is not symmetric using absolute tolerance {}".format(
_SMALL_TOLERANCE_SYMMETRY
),
):
doe_obj.create_doe_model()
def test_reactor_check_bad_jacobian_init_size(self):
fd_method = "central"
obj_used = "trace"
flag_val = 0 # Value for faulty model build mode - 0: full model
jac_init = np.ones((5, 5))
experiment = FullReactorExperiment(data_ex, 10, 3)
DoE_args = get_standard_args(experiment, fd_method, obj_used, flag_val)
DoE_args['jac_initial'] = jac_init
doe_obj = DesignOfExperiments(**DoE_args)
with self.assertRaisesRegex(
ValueError,
"Shape of Jacobian provided should be n experiment outputs by n parameters, or {} by {}, Jacobian provided has shape {} by {}".format(
27, 4, jac_init.shape[0], jac_init.shape[1]
),
):
doe_obj.create_doe_model()
def test_reactor_check_unbuilt_update_FIM(self):
fd_method = "central"
obj_used = "trace"
flag_val = 0 # Value for faulty model build mode - 0: full model
FIM_update = np.ones((4, 4))
experiment = FullReactorExperiment(data_ex, 10, 3)
DoE_args = get_standard_args(experiment, fd_method, obj_used, flag_val)
doe_obj = DesignOfExperiments(**DoE_args)
with self.assertRaisesRegex(
RuntimeError,
"``fim`` is not defined on the model provided. Please build the model first.",
):
doe_obj.update_FIM_prior(FIM=FIM_update)
def test_reactor_check_none_update_FIM(self):
fd_method = "central"
obj_used = "trace"
flag_val = 0 # Value for faulty model build mode - 0: full model
FIM_update = None
experiment = FullReactorExperiment(data_ex, 10, 3)
DoE_args = get_standard_args(experiment, fd_method, obj_used, flag_val)
doe_obj = DesignOfExperiments(**DoE_args)
with self.assertRaisesRegex(
ValueError,
"FIM input for update_FIM_prior must be a 2D, square numpy array.",
):
doe_obj.update_FIM_prior(FIM=FIM_update)
def test_reactor_check_results_file_name(self):
fd_method = "central"
obj_used = "trace"
flag_val = 0 # Value for faulty model build mode - 0: Full model
experiment = FullReactorExperiment(data_ex, 10, 3)
DoE_args = get_standard_args(experiment, fd_method, obj_used, flag_val)
doe_obj = DesignOfExperiments(**DoE_args)
with self.assertRaisesRegex(
ValueError, "``results_file`` must be either a Path object or a string."
):
doe_obj.run_doe(results_file=int(15))
def test_reactor_check_measurement_and_output_length_match(self):
fd_method = "central"
obj_used = "trace"
flag_val = (
5 # Value for faulty model build mode - 5: Mismatch error and output length
)
experiment = FullReactorExperiment(data_ex, 10, 3)
DoE_args = get_standard_args(experiment, fd_method, obj_used, flag_val)
doe_obj = DesignOfExperiments(**DoE_args)
with self.assertRaisesRegex(
ValueError,
"Number of experiment outputs, {}, and length of measurement error, {}, do not match. Please check model labeling.".format(
27, 1
),
):
doe_obj.create_doe_model()
@unittest.skipIf(not ipopt_available, "The 'ipopt' command is not available")
@unittest.skipIf(not pandas_available, "pandas is not available")
def test_reactor_grid_search_des_range_inputs(self):
fd_method = "central"
obj_used = "determinant"
experiment = FullReactorExperiment(data_ex, 10, 3)
DoE_args = get_standard_args(experiment, fd_method, obj_used, flag=0)
doe_obj = DesignOfExperiments(**DoE_args)
design_ranges = {"not": [1, 5, 3], "correct": [300, 700, 3]}
with self.assertRaisesRegex(
ValueError,
"Design ranges keys must be a subset of experimental design names.",
):
doe_obj.compute_FIM_full_factorial(
design_ranges=design_ranges, method="sequential"
)
@unittest.skipIf(not ipopt_available, "The 'ipopt' command is not available")
@unittest.skipIf(not pandas_available, "pandas is not available")
def test_reactor_premature_figure_drawing(self):
fd_method = "central"
obj_used = "determinant"
experiment = FullReactorExperiment(data_ex, 10, 3)
DoE_args = get_standard_args(experiment, fd_method, obj_used, flag=0)
doe_obj = DesignOfExperiments(**DoE_args)
with self.assertRaisesRegex(
RuntimeError,
"Results must be provided or the compute_FIM_full_factorial function must be run.",
):
doe_obj.draw_factorial_figure()
@unittest.skipIf(not ipopt_available, "The 'ipopt' command is not available")
@unittest.skipIf(not pandas_available, "pandas is not available")
def test_reactor_figure_drawing_no_des_var_names(self):
fd_method = "central"
obj_used = "determinant"
experiment = FullReactorExperiment(data_ex, 10, 3)
DoE_args = get_standard_args(experiment, fd_method, obj_used, flag=0)
doe_obj = DesignOfExperiments(**DoE_args)
design_ranges = {"CA[0]": [1, 5, 2], "T[0]": [300, 700, 2]}
doe_obj.compute_FIM_full_factorial(
design_ranges=design_ranges, method="sequential"
)
with self.assertRaisesRegex(
ValueError,
"If results object is provided, you must include all the design variable names.",
):
doe_obj.draw_factorial_figure(results=doe_obj.fim_factorial_results)
@unittest.skipIf(not ipopt_available, "The 'ipopt' command is not available")
@unittest.skipIf(not pandas_available, "pandas is not available")
def test_reactor_figure_drawing_no_sens_names(self):
fd_method = "central"
obj_used = "determinant"
experiment = FullReactorExperiment(data_ex, 10, 3)
DoE_args = get_standard_args(experiment, fd_method, obj_used, flag=0)
doe_obj = DesignOfExperiments(**DoE_args)
design_ranges = {"CA[0]": [1, 5, 2], "T[0]": [300, 700, 2]}
doe_obj.compute_FIM_full_factorial(
design_ranges=design_ranges, method="sequential"
)
with self.assertRaisesRegex(
ValueError, "``sensitivity_design_variables`` must be included."
):
doe_obj.draw_factorial_figure()
@unittest.skipIf(not ipopt_available, "The 'ipopt' command is not available")
@unittest.skipIf(not pandas_available, "pandas is not available")
def test_reactor_figure_drawing_no_fixed_names(self):
fd_method = "central"
obj_used = "determinant"
experiment = FullReactorExperiment(data_ex, 10, 3)
DoE_args = get_standard_args(experiment, fd_method, obj_used, flag=0)
doe_obj = DesignOfExperiments(**DoE_args)
design_ranges = {"CA[0]": [1, 5, 2], "T[0]": [300, 700, 2]}
doe_obj.compute_FIM_full_factorial(
design_ranges=design_ranges, method="sequential"
)
with self.assertRaisesRegex(
ValueError, "``fixed_design_variables`` must be included."
):
doe_obj.draw_factorial_figure(sensitivity_design_variables={"dummy": "var"})
@unittest.skipIf(not ipopt_available, "The 'ipopt' command is not available")
@unittest.skipIf(not pandas_available, "pandas is not available")
def test_reactor_figure_drawing_bad_fixed_names(self):
fd_method = "central"
obj_used = "determinant"
experiment = FullReactorExperiment(data_ex, 10, 3)
DoE_args = get_standard_args(experiment, fd_method, obj_used, flag=0)
doe_obj = DesignOfExperiments(**DoE_args)
design_ranges = {"CA[0]": [1, 5, 2], "T[0]": [300, 700, 2]}
doe_obj.compute_FIM_full_factorial(
design_ranges=design_ranges, method="sequential"
)
with self.assertRaisesRegex(
ValueError,
"Fixed design variables do not all appear in the results object keys.",
):
doe_obj.draw_factorial_figure(
sensitivity_design_variables={"CA[0]": 1},
fixed_design_variables={"bad": "entry"},
)
@unittest.skipIf(not ipopt_available, "The 'ipopt' command is not available")
@unittest.skipIf(not pandas_available, "pandas is not available")
def test_reactor_figure_drawing_bad_sens_names(self):
fd_method = "central"
obj_used = "determinant"
experiment = FullReactorExperiment(data_ex, 10, 3)
DoE_args = get_standard_args(experiment, fd_method, obj_used, flag=0)
doe_obj = DesignOfExperiments(**DoE_args)
design_ranges = {"CA[0]": [1, 5, 2], "T[0]": [300, 700, 2]}
doe_obj.compute_FIM_full_factorial(
design_ranges=design_ranges, method="sequential"
)
with self.assertRaisesRegex(
ValueError,
"Sensitivity design variables do not all appear in the results object keys.",
):
doe_obj.draw_factorial_figure(
sensitivity_design_variables={"bad": "entry"},
fixed_design_variables={"CA[0]": 1},
)
def test_reactor_check_get_FIM_without_FIM(self):
fd_method = "central"
obj_used = "trace"
flag_val = (
0 # Value for faulty model build mode - 5: Mismatch error and output length
)
experiment = FullReactorExperiment(data_ex, 10, 3)
DoE_args = get_standard_args(experiment, fd_method, obj_used, flag_val)
doe_obj = DesignOfExperiments(**DoE_args)
with self.assertRaisesRegex(
RuntimeError,
"Model provided does not have variable `fim`. Please make sure the model is built properly before calling `get_FIM`",
):
doe_obj.get_FIM()
def test_reactor_check_get_sens_mat_without_model(self):
fd_method = "central"
obj_used = "trace"
flag_val = (
0 # Value for faulty model build mode - 5: Mismatch error and output length
)
experiment = FullReactorExperiment(data_ex, 10, 3)
DoE_args = get_standard_args(experiment, fd_method, obj_used, flag_val)
doe_obj = DesignOfExperiments(**DoE_args)
with self.assertRaisesRegex(
RuntimeError,
"Model provided does not have variable `sensitivity_jacobian`. Please make sure the model is built properly before calling `get_sensitivity_matrix`",
):
doe_obj.get_sensitivity_matrix()
def test_reactor_check_get_exp_inputs_without_model(self):
fd_method = "central"
obj_used = "trace"
flag_val = (
0 # Value for faulty model build mode - 5: Mismatch error and output length
)
experiment = FullReactorExperiment(data_ex, 10, 3)
DoE_args = get_standard_args(experiment, fd_method, obj_used, flag_val)
doe_obj = DesignOfExperiments(**DoE_args)
with self.assertRaisesRegex(
RuntimeError,
"Model provided does not have expected structure. Please make sure model is built properly before calling `get_experiment_input_values`",
):
doe_obj.get_experiment_input_values()
def test_reactor_check_get_exp_outputs_without_model(self):
fd_method = "central"
obj_used = "trace"
flag_val = (
0 # Value for faulty model build mode - 5: Mismatch error and output length
)
experiment = FullReactorExperiment(data_ex, 10, 3)
DoE_args = get_standard_args(experiment, fd_method, obj_used, flag_val)
doe_obj = DesignOfExperiments(**DoE_args)
with self.assertRaisesRegex(
RuntimeError,
"Model provided does not have expected structure. Please make sure model is built properly before calling `get_experiment_output_values`",
):
doe_obj.get_experiment_output_values()
def test_reactor_check_get_unknown_params_without_model(self):
fd_method = "central"
obj_used = "trace"
flag_val = (
0 # Value for faulty model build mode - 5: Mismatch error and output length
)
experiment = FullReactorExperiment(data_ex, 10, 3)
DoE_args = get_standard_args(experiment, fd_method, obj_used, flag_val)
doe_obj = DesignOfExperiments(**DoE_args)
with self.assertRaisesRegex(
RuntimeError,
"Model provided does not have expected structure. Please make sure model is built properly before calling `get_unknown_parameter_values`",
):
doe_obj.get_unknown_parameter_values()
def test_reactor_check_get_meas_error_without_model(self):
fd_method = "central"
obj_used = "trace"
flag_val = (
0 # Value for faulty model build mode - 5: Mismatch error and output length
)
experiment = FullReactorExperiment(data_ex, 10, 3)
DoE_args = get_standard_args(experiment, fd_method, obj_used, flag_val)
doe_obj = DesignOfExperiments(**DoE_args)
with self.assertRaisesRegex(
RuntimeError,
"Model provided does not have expected structure. Please make sure model is built properly before calling `get_measurement_error_values`",
):
doe_obj.get_measurement_error_values()
def test_multiple_exp_not_implemented_seq(self):
fd_method = "central"
obj_used = "trace"
flag_val = (
0 # Value for faulty model build mode - 5: Mismatch error and output length
)
experiment = FullReactorExperiment(data_ex, 10, 3)
DoE_args = get_standard_args(experiment, fd_method, obj_used, flag_val)
doe_obj = DesignOfExperiments(**DoE_args)
with self.assertRaisesRegex(
NotImplementedError, "Multiple experiment optimization not yet supported."
):
doe_obj.run_multi_doe_sequential(N_exp=1)
def test_multiple_exp_not_implemented_sim(self):
fd_method = "central"
obj_used = "trace"
flag_val = (
0 # Value for faulty model build mode - 5: Mismatch error and output length
)
experiment = FullReactorExperiment(data_ex, 10, 3)
DoE_args = get_standard_args(experiment, fd_method, obj_used, flag_val)
doe_obj = DesignOfExperiments(**DoE_args)
with self.assertRaisesRegex(
NotImplementedError, "Multiple experiment optimization not yet supported."
):
doe_obj.run_multi_doe_simultaneous(N_exp=1)
def test_update_unknown_parameter_values_not_implemented_seq(self):
fd_method = "central"
obj_used = "trace"
flag_val = (
0 # Value for faulty model build mode - 5: Mismatch error and output length
)
experiment = FullReactorExperiment(data_ex, 10, 3)
DoE_args = get_standard_args(experiment, fd_method, obj_used, flag_val)
doe_obj = DesignOfExperiments(**DoE_args)
with self.assertRaisesRegex(
NotImplementedError, "Updating unknown parameter values not yet supported."
):
doe_obj.update_unknown_parameter_values()
@unittest.skipIf(not ipopt_available, "The 'ipopt' command is not available")
def test_bad_FD_generate_scens(self):
fd_method = "central"
obj_used = "trace"
flag_val = (
0 # Value for faulty model build mode - 5: Mismatch error and output length
)
experiment = FullReactorExperiment(data_ex, 10, 3)
DoE_args = get_standard_args(experiment, fd_method, obj_used, flag_val)
doe_obj = DesignOfExperiments(**DoE_args)
with self.assertRaisesRegex(
AttributeError,
"Finite difference option not recognized. Please contact the developers as you should not see this error.",
):
doe_obj.fd_formula = "bad things"
doe_obj._generate_scenario_blocks()
@unittest.skipIf(not ipopt_available, "The 'ipopt' command is not available")
def test_bad_FD_seq_compute_FIM(self):
fd_method = "central"
obj_used = "trace"
flag_val = (
0 # Value for faulty model build mode - 5: Mismatch error and output length
)
experiment = FullReactorExperiment(data_ex, 10, 3)
DoE_args = get_standard_args(experiment, fd_method, obj_used, flag_val)
doe_obj = DesignOfExperiments(**DoE_args)
with self.assertRaisesRegex(
AttributeError,
"Finite difference option not recognized. Please contact the developers as you should not see this error.",
):
doe_obj.fd_formula = "bad things"
doe_obj.compute_FIM(method="sequential")
def test_bad_objective(self):
fd_method = "central"
obj_used = "trace"
flag_val = (
0 # Value for faulty model build mode - 5: Mismatch error and output length
)
experiment = FullReactorExperiment(data_ex, 10, 3)
DoE_args = get_standard_args(experiment, fd_method, obj_used, flag_val)
doe_obj = DesignOfExperiments(**DoE_args)
with self.assertRaisesRegex(
AttributeError,
"Objective option not recognized. Please contact the developers as you should not see this error.",
):
doe_obj.objective_option = "bad things"
doe_obj.create_objective_function()
def test_no_model_for_objective(self):
fd_method = "central"
obj_used = "trace"
flag_val = (
0 # Value for faulty model build mode - 5: Mismatch error and output length
)
experiment = FullReactorExperiment(data_ex, 10, 3)
DoE_args = get_standard_args(experiment, fd_method, obj_used, flag_val)
doe_obj = DesignOfExperiments(**DoE_args)
with self.assertRaisesRegex(
RuntimeError,
"Model provided does not have variable `fim`. Please make sure the model is built properly before creating the objective.",
):
doe_obj.create_objective_function()
@unittest.skipIf(not ipopt_available, "The 'ipopt' command is not available")
def test_bad_compute_FIM_option(self):
fd_method = "central"
obj_used = "trace"
flag_val = (
0 # Value for faulty model build mode - 5: Mismatch error and output length
)
experiment = FullReactorExperiment(data_ex, 10, 3)
DoE_args = get_standard_args(experiment, fd_method, obj_used, flag_val)
doe_obj = DesignOfExperiments(**DoE_args)
with self.assertRaisesRegex(
ValueError,
"The method provided, {}, must be either `sequential` or `kaug`".format(
"Bad Method"
),
):
doe_obj.compute_FIM(method="Bad Method")
if __name__ == "__main__":
unittest.main()