Merge pull request #3650 from sscini/add-update-model-utility

Add update_model utility to utils.py for updating suffix values in Pyomo.DoE

Author: blnicho

pyomo/contrib/doe/examples/update_suffix_doe_example.py

@@ -0,0 +1,74 @@
+#  ___________________________________________________________________________
+#
+#  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.
+#  ___________________________________________________________________________
+from pyomo.common.dependencies import numpy as np
+
+from pyomo.contrib.doe.examples.reactor_experiment import ReactorExperiment
+from pyomo.contrib.doe import DesignOfExperiments
+from pyomo.contrib.doe import utils
+
+from pyomo.contrib.parmest.utils.model_utils import update_model_from_suffix
+from os.path import join, abspath, dirname
+
+import pyomo.environ as pyo
+
+import json
+
+
+# Example to run a DoE on the reactor
+def main():
+    # Read in file
+    file_dirname = dirname(abspath(str(__file__)))
+    file_path = abspath(join(file_dirname, "result.json"))
+
+    # Read in data
+    with open(file_path) as f:
+        data_ex = json.load(f)
+
+    # Put temperature control time points into correct format for reactor experiment
+    data_ex["control_points"] = {
+        float(k): v for k, v in data_ex["control_points"].items()
+    }
+
+    # Create a ReactorExperiment object; data and discretization information are part
+    # of the constructor of this object
+    experiment = ReactorExperiment(data=data_ex, nfe=10, ncp=3)
+
+    # Call the experiment's model using get_labeled_model
+    reactor_model = experiment.get_labeled_model()
+
+    # Show the model
+    reactor_model.pprint()
+    # The suffix object 'measurement_error' stores measurement error values for each component.
+    # Here, we retrieve the original values from the suffix for inspection.
+    suffix_obj = reactor_model.measurement_error
+    me_vars = list(suffix_obj.keys())  # components
+    orig_vals = np.array(list(suffix_obj.values()))
+
+    # Original values
+    print("Original sigma values")
+    print("-----------------------")
+    suffix_obj.display()
+
+    # Update the suffix with new values
+    new_vals = orig_vals + 1
+    # Here we are updating the values of the measurement error
+    # You must know the length of the list and order of the suffix items to update them correctly
+    update_model_from_suffix(suffix_obj, new_vals)
+
+    # Updated values
+    print("Updated sigma values :")
+    print("-----------------------")
+    suffix_obj.display()
+    return suffix_obj, orig_vals, new_vals
+
+
+if __name__ == "__main__":
+    main()

pyomo/contrib/doe/tests/test_doe_build.py

@@ -474,6 +474,17 @@ def test_generate_blocks_without_model(self):
                 doe_obj.model.find_component("scenario_blocks[" + str(i) + "]")
             )
 
+    def test_reactor_update_suffix_items(self):
+        """Test the reactor example with updating suffix items."""
+        from pyomo.contrib.doe.examples.update_suffix_doe_example import main
+
+        # Run the reactor update suffix items example
+        suffix_obj, _, new_vals = main()
+
+        # Check that the suffix object has been updated correctly
+        for i, v in enumerate(suffix_obj.values()):
+            self.assertAlmostEqual(v, new_vals[i], places=6)
+
 
 if __name__ == "__main__":
     unittest.main()

pyomo/contrib/parmest/examples/reactor_design/update_suffix_example.py

@@ -0,0 +1,67 @@
+#  ___________________________________________________________________________
+#
+#  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.
+#  ___________________________________________________________________________
+
+from pyomo.common.dependencies import numpy as np, pandas as pd
+from os.path import join, abspath, dirname
+import pyomo.contrib.parmest.parmest as parmest
+from pyomo.contrib.parmest.examples.reactor_design.reactor_design import (
+    ReactorDesignExperiment,
+)
+
+import pyomo.environ as pyo
+from pyomo.contrib.parmest.utils.model_utils import update_model_from_suffix
+
+
+def main():
+    # Read in file
+    # Read in data
+    file_dirname = dirname(abspath(str(__file__)))
+    file_name = abspath(join(file_dirname, "reactor_data.csv"))
+    data = pd.read_csv(file_name)
+
+    experiment = ReactorDesignExperiment(data, 0)
+
+    # Call the experiment's model using get_labeled_model
+    reactor_model = experiment.get_labeled_model()
+
+    example_suffix = "unknown_parameters"
+    suffix_obj = reactor_model.unknown_parameters
+    var_list = list(suffix_obj.keys())  # components
+    orig_var_vals = np.array([pyo.value(v) for v in var_list])  # numeric var values
+
+    # Print original values
+    print("Original sigma values")
+    print("----------------------")
+    print(orig_var_vals)
+
+    # Update the suffix with new values
+    new_vals = orig_var_vals + 0.5
+
+    print("New sigma values")
+    print("----------------")
+    print(new_vals)
+
+    # Here we are updating the values of the unknown parameters
+    # You must know the length of the list and order of the suffix items to update them correctly
+    update_model_from_suffix(suffix_obj, new_vals)
+
+    # Updated values
+    print("Updated sigma values :")
+    print("-----------------------")
+    new_var_vals = np.array([pyo.value(v) for v in var_list])
+    print(new_var_vals)
+
+    # Return the suffix obj, original and new values for further use if needed
+    return suffix_obj, new_vals, new_var_vals
+
+
+if __name__ == "__main__":
+    main()

pyomo/contrib/parmest/tests/test_examples.py

@@ -194,6 +194,15 @@ def test_datarec_example(self):
 
         datarec_example.main()
 
+    def test_update_suffix_example(self):
+        from pyomo.contrib.parmest.examples.reactor_design import update_suffix_example
+
+        suffix_obj, new_vals, new_var_vals = update_suffix_example.main()
+
+        # Check that the suffix object has been updated correctly
+        for i, v in enumerate(new_var_vals):
+            self.assertAlmostEqual(new_var_vals[i], new_vals[i], places=6)
+
 
 if __name__ == "__main__":
     unittest.main()

pyomo/contrib/parmest/tests/test_utils.py

@@ -9,14 +9,37 @@
 #  This software is distributed under the 3-clause BSD License.
 #  ___________________________________________________________________________
 
-from pyomo.common.dependencies import pandas as pd, pandas_available
+from pyomo.common.dependencies import (
+    pandas as pd,
+    pandas_available,
+    numpy as np,
+    numpy_available,
+)
+
+import os.path
+import json
 
 import pyomo.environ as pyo
+
+from pyomo.common.fileutils import this_file_dir
 import pyomo.common.unittest as unittest
+
 import pyomo.contrib.parmest.parmest as parmest
 from pyomo.opt import SolverFactory
 
-ipopt_available = SolverFactory("ipopt").available()
+from pyomo.contrib.parmest.utils.model_utils import update_model_from_suffix
+from pyomo.contrib.doe.examples.reactor_example import (
+    ReactorExperiment as FullReactorExperiment,
+)
+
+currdir = this_file_dir()
+file_path = os.path.join(currdir, "..", "..", "doe", "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()}
+
+ipopt_available = pyo.SolverFactory("ipopt").available()
 
 
 @unittest.skipIf(
@@ -60,6 +83,126 @@ def test_convert_param_to_var(self):
             self.assertEqual(pyo.value(c), pyo.value(c_old))
             self.assertTrue(c in m_vars.unknown_parameters)
 
+    def test_update_model_from_suffix_experiment_outputs(self):
+        from pyomo.contrib.parmest.examples.reactor_design.reactor_design import (
+            ReactorDesignExperiment,
+        )
+
+        data = pd.DataFrame(
+            data=[
+                [1.05, 10000, 3458.4, 1060.8, 1683.9, 1898.5],
+                [1.10, 10000, 3535.1, 1064.8, 1613.3, 1893.4],
+                [1.15, 10000, 3609.1, 1067.8, 1547.5, 1887.8],
+            ],
+            columns=["sv", "caf", "ca", "cb", "cc", "cd"],
+        )
+        experiment = ReactorDesignExperiment(data, 0)
+        test_model = experiment.get_labeled_model()
+
+        suffix_obj = test_model.experiment_outputs  # a Suffix
+        var_list = list(suffix_obj.keys())  # components
+        orig_var_vals = np.array([pyo.value(v) for v in var_list])
+        orig_suffix_val = np.array([tag for _, tag in suffix_obj.items()])
+        new_vals = orig_var_vals + 0.5
+        # Update the model from the suffix
+        update_model_from_suffix(suffix_obj, new_vals)
+        # ── Check results ────────────────────────────────────────────────────
+        new_var_vals = np.array([pyo.value(v) for v in var_list])
+        new_suffix_val = np.array(list(suffix_obj.values()))
+        # (1) Variables have been overwritten with `new_vals`
+        self.assertTrue(np.allclose(new_var_vals, new_vals))
+        # (2) Suffix tags are unchanged
+        self.assertTrue(np.array_equal(new_suffix_val, orig_suffix_val))
+
+    def test_update_model_from_suffix_measurement_error(self):
+        experiment = FullReactorExperiment(data_ex, 10, 3)
+        test_model = experiment.get_labeled_model()
+
+        suffix_obj = test_model.measurement_error  # a Suffix
+        var_list = list(suffix_obj.keys())  # components
+        orig_var_vals = np.array([suffix_obj[v] for v in var_list])
+        new_vals = orig_var_vals + 0.5
+        # Update the model from the suffix
+        update_model_from_suffix(suffix_obj, new_vals)
+        # ── Check results ────────────────────────────────────────────────────
+        new_var_vals = np.array([suffix_obj[v] for v in var_list])
+        # (1) Variables have been overwritten with `new_vals`
+        self.assertTrue(np.allclose(new_var_vals, new_vals))
+
+    def test_update_model_from_suffix_length_mismatch(self):
+        m = pyo.ConcreteModel()
+
+        # Create a suffix with a Var component
+        m.x = pyo.Var(initialize=0.0)
+        m.unknown_parameters = pyo.Suffix(direction=pyo.Suffix.LOCAL)
+        m.unknown_parameters[m.x] = 0.0  # tag a Var
+        with self.assertRaisesRegex(
+            ValueError, "values length does not match suffix length"
+        ):
+            # Attempt to update with a list of different length
+            update_model_from_suffix(m.unknown_parameters, [42, 43, 44])
+
+    def test_update_model_from_suffix_not_numeric(self):
+        m = pyo.ConcreteModel()
+
+        # Create a suffix with a Var component
+        m.x = pyo.Var(initialize=0.0)
+        m.y = pyo.Var(initialize=1.0)
+        bad_value = "not_a_number"
+        m.unknown_parameters = pyo.Suffix(direction=pyo.Suffix.LOCAL)
+        # Make multiple values
+        m.unknown_parameters[m.x] = 0.0  # tag a Var
+        m.unknown_parameters[m.y] = bad_value  # tag a Var with a bad value
+        # Attempt to update with a list of mixed types
+        # This should raise an error because this utility only allows numeric values
+        # in the model to be updated.
+
+        with self.assertRaisesRegex(
+            ValueError, f"could not convert string to float: '{bad_value}'"
+        ):
+            # Attempt to update with a non-numeric value
+            update_model_from_suffix(m.unknown_parameters, [42, bad_value])
+
+    def test_update_model_from_suffix_wrong_component_type(self):
+        m = pyo.ConcreteModel()
+
+        # Create a suffix with a Var component
+        m.x = pyo.Var(initialize=0.0)
+        m.e = pyo.Expression(expr=m.x + 1)  # not Var/Param
+        m.unknown_parameters = pyo.Suffix(direction=pyo.Suffix.LOCAL)
+        m.unknown_parameters[m.x] = 0.0
+        m.unknown_parameters[m.e] = 1.0  # tag an Expression
+        # Attempt to update with a list of wrong component type
+        with self.assertRaisesRegex(
+            TypeError,
+            f"Unsupported component type {type(m.e)}; expected VarData or ParamData.",
+        ):
+            update_model_from_suffix(m.unknown_parameters, [42, 43])
+
+    def test_update_model_from_suffix_unsupported_component(self):
+        m = pyo.ConcreteModel()
+
+        # Create a suffix with a ConstraintData component
+        m.x = pyo.Var(initialize=0.0)
+        m.c = pyo.Constraint(expr=m.x == 0)  # not Var/Param!
+
+        m.bad_suffix = pyo.Suffix(direction=pyo.Suffix.LOCAL)
+        m.bad_suffix[m.c] = 0  # tag a Constraint
+
+        with self.assertRaisesRegex(
+            TypeError, r"Unsupported component type .*Constraint.*"
+        ):
+            update_model_from_suffix(m.bad_suffix, [1.0])
+
+    def test_update_model_from_suffix_empty(self):
+        m = pyo.ConcreteModel()
+
+        # Create an empty suffix
+        m.empty_suffix = pyo.Suffix(direction=pyo.Suffix.LOCAL)
+
+        # This should not raise an error
+        update_model_from_suffix(m.empty_suffix, [])
+
 
 if __name__ == "__main__":
     unittest.main()