diff --git a/.github/workflows/test_on_pull_request.yaml b/.github/workflows/test_on_pull_request.yaml index cdad41770..646744f5d 100644 --- a/.github/workflows/test_on_pull_request.yaml +++ b/.github/workflows/test_on_pull_request.yaml @@ -37,7 +37,7 @@ jobs: strategy: fail-fast: false matrix: - os: [ubuntu-latest, windows-latest, macos-13, macos-14] + os: [ubuntu-latest, windows-latest] python-version: ["3.12"] name: Integration tests (${{ matrix.os }} / Python ${{ matrix.python-version }}) @@ -90,7 +90,7 @@ jobs: strategy: fail-fast: false matrix: - os: [ubuntu-latest, windows-latest, macos-13, macos-14] + os: [ubuntu-latest, windows-latest, macos-14] python-version: ["3.12"] name: Test examples (${{ matrix.os }} / Python ${{ matrix.python-version }}) diff --git a/CHANGELOG.md b/CHANGELOG.md index 41da36812..f318e7d00 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -6,6 +6,8 @@ ## Bug Fixes +- [#705](https://github.com/pybop-team/PyBOP/pull/705) - Bug fix `fitting_problem.evaulate()` failure return type alongside fixes for Pybamm `v25.4`. + ## Breaking Changes # [v25.3](https://github.com/pybop-team/PyBOP/tree/v25.3) - 2025-03-28 diff --git a/conftest.py b/conftest.py index 6c4997580..d0eada3b1 100644 --- a/conftest.py +++ b/conftest.py @@ -1,4 +1,5 @@ import matplotlib +import numpy as np import plotly import pytest @@ -76,3 +77,8 @@ def pytest_collection_modifyitems(config, items): reason=f"Test does not match the selected options: {', '.join(selected_markers)}" ) item.add_marker(skip_this) + + +@pytest.fixture(autouse=True) +def set_random_seed(): + np.random.seed(40) diff --git a/pybop/problems/fitting_problem.py b/pybop/problems/fitting_problem.py index 29a43cc2a..c010c2dfc 100644 --- a/pybop/problems/fitting_problem.py +++ b/pybop/problems/fitting_problem.py @@ -1,5 +1,5 @@ import warnings -from typing import Optional +from typing import Optional, Union import numpy as np from pybamm import IDAKLUJax, SolverError @@ -89,6 +89,12 @@ def __init__( initial_state=self.initial_state, ) + self.error_out = {var: self.failure_output for var in self.output_variables} + self.error_sense = { + param: {var: self.failure_output for var in self.output_variables} + for param in self.parameters.keys() + } + def set_initial_state(self, initial_state: Optional[dict] = None): """ Set the initial state to be applied for every problem evaluation. @@ -113,7 +119,12 @@ def set_initial_state(self, initial_state: Optional[dict] = None): self.initial_state = initial_state - def evaluate(self, inputs: Inputs) -> dict[str, np.ndarray[np.float64]]: + def evaluate( + self, inputs: Inputs, eis=False + ) -> Union[ + dict[str, np.ndarray], + tuple[dict[str, np.ndarray], dict[str, dict[str, np.ndarray]]], + ]: """ Evaluate the model with the given parameters and return the signal. @@ -136,7 +147,10 @@ def evaluate(self, inputs: Inputs) -> dict[str, np.ndarray[np.float64]]: def _evaluate( self, func, inputs, calculate_grad=False - ) -> dict[str, np.ndarray[np.float64]]: + ) -> Union[ + dict[str, np.ndarray], + tuple[dict[str, np.ndarray], dict[str, dict[str, np.ndarray]]], + ]: """ Perform simulation using the specified method and handle exceptions. @@ -163,8 +177,9 @@ def _evaluate( except (SolverError, ZeroDivisionError, RuntimeError, ValueError) as e: if isinstance(e, ValueError) and str(e) not in self.exception: raise # Raise the error if it doesn't match the expected list - error_out = {s: self.failure_output for s in self.signal} - return (error_out, self.failure_output) if calculate_grad else error_out + if calculate_grad: + return self.error_out, self.error_sense + return self.error_out if self.eis: return sol diff --git a/tests/integration/test_model_experiment_changes.py b/tests/integration/test_model_experiment_changes.py index ebdcf0b8c..db52e81a5 100644 --- a/tests/integration/test_model_experiment_changes.py +++ b/tests/integration/test_model_experiment_changes.py @@ -110,17 +110,19 @@ def final_cost(self, solution, model, parameters): def test_multi_fitting_problem(self): parameter_set = pybop.ParameterSet("Chen2020") - parameters = pybop.Parameter( - "Negative electrode active material volume fraction", - prior=pybop.Gaussian(0.68, 0.05), - true_value=parameter_set[ - "Negative electrode active material volume fraction" - ], + parameters = pybop.Parameters( + pybop.Parameter( + "Negative electrode active material volume fraction", + prior=pybop.Gaussian(0.68, 0.05), + true_value=parameter_set[ + "Negative electrode active material volume fraction" + ], + ) ) model_1 = pybop.lithium_ion.SPM(parameter_set=parameter_set) experiment_1 = pybop.Experiment( - ["Discharge at 1C until 3 V (4 seconds period)"] + ["Discharge at 0.5C for 5 minutes (10 seconds period)"] ) solution_1 = model_1.predict(experiment=experiment_1) dataset_1 = pybop.Dataset( @@ -133,7 +135,7 @@ def test_multi_fitting_problem(self): model_2 = pybop.lithium_ion.SPMe(parameter_set=parameter_set.copy()) experiment_2 = pybop.Experiment( - ["Discharge at 3C until 3 V (4 seconds period)"] + ["Discharge at 1C for 3 minutes (10 seconds period)"] ) solution_2 = model_2.predict(experiment=experiment_2) dataset_2 = pybop.Dataset( @@ -152,7 +154,9 @@ def test_multi_fitting_problem(self): # Test with a gradient and non-gradient-based optimiser for optimiser in [pybop.SNES, pybop.IRPropMin]: - optim = optimiser(cost) + optim = optimiser( + cost, sigma0=0.05, max_iterations=100, max_unchanged_iterations=30 + ) results = optim.run() - np.testing.assert_allclose(results.x, parameters.true_value, atol=2e-5) - np.testing.assert_allclose(results.final_cost, 0, atol=2e-5) + np.testing.assert_allclose(results.x, parameters.true_value(), atol=2e-5) + np.testing.assert_allclose(results.final_cost, 0, atol=3e-5) diff --git a/tests/integration/test_spm_parameterisations.py b/tests/integration/test_spm_parameterisations.py index 704a47e77..cb8713e90 100644 --- a/tests/integration/test_spm_parameterisations.py +++ b/tests/integration/test_spm_parameterisations.py @@ -1,4 +1,5 @@ import numpy as np +import pybamm import pytest import pybop @@ -30,7 +31,8 @@ def model(self): "Positive electrode active material volume fraction": x[1], } ) - return pybop.lithium_ion.SPM(parameter_set=parameter_set) + solver = pybamm.IDAKLUSolver() + return pybop.lithium_ion.SPM(parameter_set=parameter_set, solver=solver) @pytest.fixture def parameters(self): @@ -183,7 +185,7 @@ def test_optimisers(self, optim): np.testing.assert_allclose(results.x, self.ground_truth, atol=1.5e-2) if isinstance(optim.cost, pybop.GaussianLogLikelihood): - np.testing.assert_allclose(results.x[-1], self.sigma0, atol=5e-4) + np.testing.assert_allclose(results.x[-1], self.sigma0, atol=1e-3) @pytest.fixture def two_signal_cost(self, parameters, model, cost_cls): diff --git a/tests/integration/test_thevenin_parameterisation.py b/tests/integration/test_thevenin_parameterisation.py index 863d372cf..46ce5164e 100644 --- a/tests/integration/test_thevenin_parameterisation.py +++ b/tests/integration/test_thevenin_parameterisation.py @@ -32,7 +32,8 @@ def model(self): "R1 [Ohm]": self.ground_truth[1], } ) - return pybop.empirical.Thevenin(parameter_set=parameter_set) + solver = IDAKLUSolver() + return pybop.empirical.Thevenin(parameter_set=parameter_set, solver=solver) @pytest.fixture def parameters(self): @@ -78,11 +79,10 @@ def dataset(self, model): (pybop.PSO, ""), ], ) - def test_optimisers_on_simple_model( + def test_optimisers_on_thevenin_model( self, model, parameters, dataset, cost_class, optimiser, method ): # Define the cost to optimise - model.solver = IDAKLUSolver() problem = pybop.FittingProblem(model, parameters, dataset) cost = cost_class(problem) @@ -127,5 +127,5 @@ def get_data(self, model): ), ] ) - sim = model.predict(experiment=experiment) - return sim + sol = model.predict(experiment=experiment) + return sol diff --git 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