diff --git a/qiskit_algorithms/optimizers/adam_amsgrad.py b/qiskit_algorithms/optimizers/adam_amsgrad.py index 6deea91b..624f8214 100644 --- a/qiskit_algorithms/optimizers/adam_amsgrad.py +++ b/qiskit_algorithms/optimizers/adam_amsgrad.py @@ -1,6 +1,6 @@ # This code is part of a Qiskit project. # -# (C) Copyright IBM 2019, 2023. +# (C) Copyright IBM 2019, 2024. # # This code is licensed under the Apache License, Version 2.0. You may # obtain a copy of this license in the LICENSE.txt file in the root directory @@ -209,7 +209,9 @@ def minimize( The result of the optimization, containing e.g. the result as attribute ``x``. """ if jac is None: - jac = Optimizer.wrap_function(Optimizer.gradient_num_diff, (fun, self._eps)) + jac = Optimizer.wrap_function( + Optimizer.gradient_num_diff, (fun, self._eps, self._max_evals_grouped) + ) derivative = jac(x0) self._t = 0 diff --git a/releasenotes/notes/fix_aqgd_max_grouped_evals-fbe108c005a9b7ac.yaml b/releasenotes/notes/fix_aqgd_max_grouped_evals-fbe108c005a9b7ac.yaml new file mode 100644 index 00000000..9a0bcc92 --- /dev/null +++ b/releasenotes/notes/fix_aqgd_max_grouped_evals-fbe108c005a9b7ac.yaml @@ -0,0 +1,9 @@ +--- +fixes: + - | + Fixed the AQGD optimizer grouping objective function calls by default so that a single point is now passed to the + objective function. For algorithms that can handle more than one gradient evaluations in their objective function, + such as a VQE in the algorithms here, the number of grouped evaluations can be controlled via the max_grouped_evals + parameter. Grouped evaluations allows a list of points to be handed over so that they can potentially be assessed + more efficiently in a single job. + diff --git a/test/optimizers/test_adam.py b/test/optimizers/test_adam.py new file mode 100644 index 00000000..883590e2 --- /dev/null +++ b/test/optimizers/test_adam.py @@ -0,0 +1,86 @@ +# This code is part of a Qiskit project. +# +# (C) Copyright IBM 2024. +# +# This code is licensed under the Apache License, Version 2.0. You may +# obtain a copy of this license in the LICENSE.txt file in the root directory +# of this source tree or at http://www.apache.org/licenses/LICENSE-2.0. +# +# Any modifications or derivative works of this code must retain this +# copyright notice, and modified files need to carry a notice indicating +# that they have been altered from the originals. + +"""Tests for the ADAM optimizer.""" + +from test import QiskitAlgorithmsTestCase + +from ddt import ddt, data +import numpy as np + +from qiskit_algorithms.optimizers import ADAM, Optimizer +from qiskit_algorithms.utils import algorithm_globals + + +@ddt +class TestADAM(QiskitAlgorithmsTestCase): + """Tests for the ADAM optimizer.""" + + def setUp(self): + super().setUp() + algorithm_globals.random_seed = 52 + # Feature vector + self.x = np.array([1, 2, 3, 4]) + # Target value + self.y = 5 + + def objective(self, w): + """ + Objective function to minimize mean squared error. + + Parameters: + w : numpy array + The weights (including bias) for the linear model. + + Returns: + float + The mean squared error. + """ + # Extract weights and bias from the parameter vector + new_shape = (5, int(len(w) / 5)) + w = np.reshape(w, new_shape) + + weights = w[:-1, :] + bias = w[-1, :] + # Calculate the predicted values + y_pred = np.dot(self.x, weights) + bias + # Calculate the mean squared error + mse = np.mean((self.y - y_pred) ** 2) + return mse + + def run_optimizer(self, optimizer: Optimizer, weights: np.ndarray, max_nfev: int): + """Test the optimizer. + + Args: + optimizer: The optimizer instance to test. + weights: The weights to optimize. + max_nfev: The maximal allowed number of function evaluations. + """ + + # Minimize + res = optimizer.minimize(self.objective, np.array(weights), None) + error = res.fun + nfev = res.nfev + + self.assertAlmostEqual(error, 0, places=3) + self.assertLessEqual(nfev, max_nfev) + + @data(1, 5) + def test_adam_max_evals(self, max_evals_grouped): + """adam test""" + # Initialize weights (including bias) + w = np.zeros(len(self.x) + 1) + # Initialize optimizer + optimizer = ADAM(maxiter=10000, tol=1e-06) + # Test one evaluation at a time + optimizer.set_max_evals_grouped(max_evals_grouped) + self.run_optimizer(optimizer, w, max_nfev=10000)