surrogates_interface 4.0.2__tar.gz → 4.0.3__tar.gz

{surrogates_interface-4.0.2 → surrogates_interface-4.0.3}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: surrogates_interface
-Version: 4.0.2
+Version: 4.0.3
 Summary: Interface for surrogate models.
 Home-page: https://gitlab.windenergy.dtu.dk/surrogate-models/surrogate-models-interface
 License: MIT

{surrogates_interface-4.0.2 → surrogates_interface-4.0.3}/pyproject.toml

@@ -1,6 +1,6 @@
 [tool.poetry]
 name = "surrogates_interface"
-version = "4.0.2"
+version = "4.0.3"
 description = "Interface for surrogate models."
 authors = ["DTU Wind and Energy Systems"]
 maintainers = [

surrogates_interface-4.0.2/surrogates_interface/test/test_domains.py

@@ -1,44 +0,0 @@
-# -*- coding: utf-8 -*-
-import numpy as np
-import numpy.testing as npt
-import pytest
-
-from surrogates_interface.domains import BoxDomain, GenericDomain
-
-
-class TestBoxDomain:
-    @staticmethod
-    def test_in_domain():
-        min = np.array([-1.0, +2.0, -15.0])
-        max = np.array([+1.0, +7.0, +8.0])
-        x = np.array(
-            [[0.0, 0.0, 0.0], [0.0, 4.0, 9.0], [0.0, 4.0, 0.0], [3.0, 4.0, 6.0]]
-        )
-        box = BoxDomain(min, max)
-        out = box.in_domain(x)
-        npt.assert_array_equal(out, np.array([False, False, True, False]))
-
-    @staticmethod
-    def test_bad_box():
-        min = np.array([-1.0, +7.0])
-        max = np.array([+1.0, -15.0])
-        with pytest.raises(AssertionError):
-            BoxDomain(min, max)
-
-    @staticmethod
-    def test_eq():
-        box1 = BoxDomain([-1.0, +2.0, -15.0], [+1.0, +7.0, +8.0])
-        box2 = BoxDomain([-1.0, -5.0, -15.0], [+1.0, +7.0, +8.0])
-        assert not box1 == box2
-
-    @staticmethod
-    def test_eq_different_type():
-        class DummyDomain(GenericDomain):
-            fields = []
-
-            def in_domain():
-                pass
-
-        box1 = BoxDomain([-1.0, +2.0, -15.0], [+1.0, +7.0, +8.0])
-        box2 = DummyDomain()
-        assert not box1 == box2

surrogates_interface-4.0.2/surrogates_interface/test/test_init.py

@@ -1,12 +0,0 @@
-try:
-    import tomllib  # From Python 3.11.
-except ModuleNotFoundError:
-    import tomli as tomllib  # Before Python 3.11.
-
-import surrogates_interface
-
-
-def test_version():
-    with open("pyproject.toml", "rb") as fid:
-        data = tomllib.load(fid)
-    assert surrogates_interface.__version__ == data["tool"]["poetry"]["version"]

surrogates_interface-4.0.2/surrogates_interface/test/test_pca_jacobian.py

@@ -1,137 +0,0 @@
-# -*- coding: utf-8 -*-
-
-import numpy as np
-import numpy.testing as npt
-import openmdao.api as om
-import pytest
-from sklearn.decomposition import PCA
-from sklearn.preprocessing import MinMaxScaler, PowerTransformer
-
-from surrogates_interface.openmdao import InputOutputType, SurrogateModelComp
-from surrogates_interface.surrogates import SurrogateModel
-from surrogates_interface.transformers import Transformer
-
-
-class Paraboloid(SurrogateModel):
-    """Define a paraboloid."""
-
-    coef_1 = np.array([0.2, 0.5, 0.3])
-    coef_2 = np.array([1.2, 1.5, 1.3])
-
-    def _predict_model_output(self, x):
-        y = np.column_stack(
-            (np.sum(self.coef_1 * x**2, axis=1), np.sum(self.coef_2 * x**2, axis=1))
-        )
-        return y
-
-    def _predict_model_jacobian(self, x):
-        y = self._predict_model_output(x)
-        jac = np.stack((2.0 * self.coef_1 * x, 2.0 * self.coef_2 * x), axis=1)
-        return y, jac
-
-
-@pytest.fixture
-def make_data():
-    rng = np.random.default_rng(seed=123)
-    n_points = 100
-    n_inputs_original = 5
-    n_outputs_original = 4
-    input = rng.uniform(-1.0, +1.0, size=(n_points, n_inputs_original))
-    # Introduce linear correlation between some input features.
-    input[:, 1] = 2.0 * input[:, 0]
-    input[:, 2] = 3.0 * input[:, 0] - 5.0
-    # Build input transformers.
-    sklearn_input_transformers = [
-        PowerTransformer(standardize=False),
-        PCA(n_components=3, whiten=False),
-    ]
-    input_transformed = input.copy()
-    for transformer in sklearn_input_transformers:
-        input_transformed = transformer.fit_transform(input_transformed)
-    si_input_transformers = [
-        Transformer.from_sklearn(t) for t in sklearn_input_transformers
-    ]
-    # Make a dummy output. We only need it to create the transformers.
-    output = np.zeros((n_points, n_outputs_original))
-    output[:, 0] = np.sin(input[:, 0]) * np.cos(input[:, 4])
-    output[:, 1] = np.sum(input**2, axis=1)
-    # Introduce linear correlation between some output features.
-    output[:, 2] = 1.1 * output[:, 0]
-    output[:, 3] = 0.5 * output[:, 1]
-    # Build output transformers.
-    sklearn_output_transformers = [
-        MinMaxScaler(feature_range=(-1.0, +1.0), clip=False),
-        PCA(n_components=2, whiten=False),
-    ]
-    output_transformed = output.copy()
-    for transformer in sklearn_output_transformers:
-        output_transformed = transformer.fit_transform(output_transformed)
-    si_output_transformers = [
-        Transformer.from_sklearn(t) for t in sklearn_output_transformers
-    ]
-    # Build the surrogate model.
-    si_model = Paraboloid(
-        [],  # model is dummy.
-        input_transformers=si_input_transformers,
-        output_transformers=si_output_transformers,
-        n_inputs=n_inputs_original,
-        n_outputs=n_outputs_original,
-    )
-    # Evaluate it on the input, and overwrite the transformed output.
-    output_transformed = si_model._predict_model_output(input_transformed)
-    # Apply inverse output transformations and overwrite the original output.
-    output = output_transformed.copy()
-    for transformer in reversed(si_output_transformers):
-        output = transformer.inverse_transform(output, inplace=False)
-    return (
-        si_model,
-        input,
-        output,
-    )
-
-
-def test_jacobian(make_data):
-    si_model, input, _ = make_data
-    # Compute exact Jacobian.
-    jacobian_si = si_model.predict_jacobian(input)
-    # Compute Jacobian using central finite differences.
-    jacobian_fd = np.zeros_like(jacobian_si)
-    h = 1e-6
-    for i in range(input.shape[1]):
-        xm = input.copy()
-        xp = input.copy()
-        xm[:, i] -= h
-        xp[:, i] += h
-        jacobian_fd[:, :, i] = si_model.predict_output(xp) - si_model.predict_output(xm)
-    jacobian_fd /= 2.0 * h
-    # Test.
-    npt.assert_allclose(jacobian_si, jacobian_fd, rtol=2e-7)
-
-
-def test_om_compute_partials_joined_joined(make_data):
-    # Get the data.
-    si_model, input, _ = make_data
-    # Make the OpenMDAO problem.
-    problem = om.Problem()
-    component = SurrogateModelComp(
-        model=si_model,
-        input_type=InputOutputType.JOINED,
-        output_type=InputOutputType.JOINED,
-        n_points=input.shape[0],
-    )
-    problem.model.add_subsystem(
-        "surrogate", component, promotes_inputs=["x"], promotes_outputs=["y"]
-    )
-    problem.setup()
-    # Set the input.
-    problem.set_val("x", input)
-    # Check partial derivatives.
-    om_partials = problem.check_partials(
-        out_stream=None, step=1e-6, step_calc="abs", form="central"
-    )
-    # Jacobian computed by finite differences.
-    jacobian_fd = om_partials["surrogate"][("y", "x")]["J_fd"]
-    # Exact Jacobian.
-    jacobian_exact = om_partials["surrogate"][("y", "x")]["J_fwd"]
-    # Test.
-    npt.assert_allclose(jacobian_fd, jacobian_exact, rtol=2e-7)

surrogates_interface-4.0.2/surrogates_interface/test/test_smt.py

@@ -1,258 +0,0 @@
-# -*- coding: utf-8 -*-
-
-import uuid
-
-import numpy as np
-import numpy.testing as npt
-import pytest
-from smt.surrogate_models import KRG, RBF
-
-from surrogates_interface.domains import BoxDomain
-from surrogates_interface.surrogates import SMTModel
-
-# %% Test SMTModel.
-
-
-@pytest.fixture
-def make_data_siso_rbf():
-    # Example from https://smt.readthedocs.io/en/stable/_src_docs/surrogate_models/rbf.html
-    xt = np.array([0.0, 1.0, 2.0, 3.0, 4.0]).reshape(-1, 1)
-    yt = np.array([0.0, 1.0, 1.5, 0.9, 1.0]).reshape(-1, 1)
-
-    sm = RBF(d0=5, print_global=False)
-
-    sm.set_training_values(xt, yt)
-    sm.train()
-
-    x = np.linspace(0.0, 4.0, 100).reshape(-1, 1)
-    y = sm.predict_values(x)
-
-    model = SMTModel(
-        sm,
-        n_inputs=1,
-        n_outputs=1,
-    )
-    return model, x, y
-
-
-@pytest.fixture
-def make_data_siso_krg():
-    # Example from https://smt.readthedocs.io/en/stable/_src_docs/surrogate_models/rbf.html
-    xt = np.array([0.0, 1.0, 2.0, 3.0, 4.0]).reshape(-1, 1)
-    yt = np.array([0.0, 1.0, 1.5, 0.9, 1.0]).reshape(-1, 1)
-
-    sm = KRG(print_global=False)
-
-    sm.set_training_values(xt, yt)
-    sm.train()
-
-    x = np.linspace(0.0, 4.0, 100).reshape(-1, 1)
-    y = sm.predict_values(x)
-
-    model = SMTModel(
-        sm,
-        n_inputs=1,
-        n_outputs=1,
-    )
-    return model, x, y
-
-
-def test_predict_output_siso_rbf(make_data_siso_rbf):
-    si_model, input, output = make_data_siso_rbf
-    output_si = si_model.predict_output(input)
-    npt.assert_array_equal(output_si, output)
-
-
-def test_predict_jacobian_siso_rbf(make_data_siso_rbf):
-    si_model, input, _ = make_data_siso_rbf
-    # Compute jacobian using the chain rule and SMT.
-    jacobian_si = si_model.predict_jacobian(input)
-    # Compute jacobian using central finite differences.
-    h = 1e-5
-    jacobian_fd = np.zeros(jacobian_si.shape)
-    jacobian_fd[:, 0, 0] = (
-        si_model.predict_output(input + h).ravel()
-        - si_model.predict_output(input - h).ravel()
-    ) / (2.0 * h)
-    npt.assert_allclose(jacobian_si, jacobian_fd, rtol=2e-5, atol=5e-7)
-
-
-@pytest.fixture
-def make_data_miso_rbf():
-    # Build input and output.
-    domain = BoxDomain([-5.0, -10.0], [10.0, 2.0])
-    xt = np.column_stack(
-        (
-            np.linspace(domain.min[0], domain.max[0], 11),
-            np.linspace(domain.min[1], domain.max[1], 11),
-        )
-    )
-    yt = np.sum(xt**2, axis=1, keepdims=True)
-
-    # Train.
-    sm = RBF(d0=5, print_global=False)
-
-    sm.set_training_values(xt, yt)
-    sm.train()
-
-    x = np.column_stack(
-        (
-            np.linspace(domain.min[0], domain.max[0], 21),
-            np.linspace(domain.min[1], domain.max[1], 21),
-        )
-    )
-    y = sm.predict_values(x)
-
-    model = SMTModel(
-        sm,
-        n_inputs=2,
-        n_outputs=1,
-        domain=domain,
-    )
-    return model, x, y
-
-
-def test_predict_output_miso_rbf(make_data_miso_rbf):
-    si_model, input, output = make_data_miso_rbf
-    output_si = si_model.predict_output(input)
-    npt.assert_array_equal(output_si, output)
-
-
-def test_predict_jacobian_miso_rbf(make_data_miso_rbf):
-    si_model, input, _ = make_data_miso_rbf
-    # Compute jacobian using the chain rule and SMT.
-    jacobian_si = si_model.predict_jacobian(input)
-    # Compute jacobian using central finite differences.
-    jacobian_fd = np.zeros(jacobian_si.shape)
-    h = 1e-5
-    for i in range(input.shape[1]):
-        xm = input.copy()
-        xp = input.copy()
-        xm[:, i] -= h
-        xp[:, i] += h
-        jacobian_fd[:, 0, i] = (
-            si_model.predict_output(xp).ravel() - si_model.predict_output(xm).ravel()
-        )
-    jacobian_fd /= 2.0 * h
-    npt.assert_allclose(jacobian_si, jacobian_fd, rtol=5e-7)
-
-
-@pytest.fixture
-def make_data_simo_rbf():
-    # Build input and output.
-    domain = BoxDomain([-5.0], [10.0])
-    xt = np.linspace(domain.min[0], domain.max[0], 11).reshape(-1, 1)
-    yt = np.column_stack((xt**2, 0.5 * xt**2))
-
-    # Train.
-    sm = RBF(d0=5, print_global=False)
-
-    sm.set_training_values(xt, yt)
-    sm.train()
-
-    x = np.linspace(domain.min[0], domain.max[0], 21).reshape(-1, 1)
-    y = sm.predict_values(x)
-
-    model = SMTModel(
-        sm,
-        n_inputs=1,
-        n_outputs=2,
-        domain=domain,
-    )
-    return model, x, y
-
-
-def test_predict_output_simo_rbf(make_data_simo_rbf):
-    si_model, input, output = make_data_simo_rbf
-    output_si = si_model.predict_output(input)
-    npt.assert_array_equal(output_si, output)
-
-
-def test_predict_jacobian_simo_rbf(make_data_simo_rbf):
-    si_model, input, _ = make_data_simo_rbf
-    # Compute jacobian using the chain rule and SMT.
-    jacobian_si = si_model.predict_jacobian(input)
-    # Compute jacobian using central finite differences.
-    h = 1e-5
-    jacobian_fd = np.zeros(jacobian_si.shape)
-    jacobian_fd[:, :, 0] = (
-        si_model.predict_output(input + h) - si_model.predict_output(input - h)
-    ) / (2.0 * h)
-    npt.assert_allclose(jacobian_si, jacobian_fd, rtol=5e-7)
-
-
-@pytest.fixture
-def make_data_mimo_rbf():
-    # Build input and output.
-    domain = BoxDomain([-5.0, -10.0], [10.0, 2.0])
-    xt = np.column_stack(
-        (
-            np.linspace(domain.min[0], domain.max[0], 11),
-            np.linspace(domain.min[1], domain.max[1], 11),
-        )
-    )
-    yt = np.column_stack(
-        (0.8 * xt[:, 0] ** 2, 0.5 * xt[:, 1] ** 2, np.sum(xt**2, axis=1))
-    )
-
-    # Train.
-    sm = RBF(d0=5, print_global=False)
-
-    sm.set_training_values(xt, yt)
-    sm.train()
-
-    x = np.column_stack(
-        (
-            np.linspace(domain.min[0], domain.max[0], 21),
-            np.linspace(domain.min[1], domain.max[1], 21),
-        )
-    )
-    y = sm.predict_values(x)
-
-    model = SMTModel(
-        sm,
-        n_inputs=2,
-        n_outputs=3,
-        domain=domain,
-    )
-    return model, x, y
-
-
-def test_predict_output_mimo_rbf(make_data_mimo_rbf):
-    si_model, input, output = make_data_mimo_rbf
-    output_si = si_model.predict_output(input)
-    npt.assert_array_equal(output_si, output)
-
-
-def test_predict_jacobian_mimo_rbf(make_data_mimo_rbf):
-    si_model, input, _ = make_data_mimo_rbf
-    # Compute jacobian using the chain rule and SMT.
-    jacobian_si = si_model.predict_jacobian(input)
-    # Compute jacobian using central finite differences.
-    jacobian_fd = np.zeros(jacobian_si.shape)
-    h = 1e-5
-    for i in range(input.shape[1]):
-        xm = input.copy()
-        xp = input.copy()
-        xm[:, i] -= h
-        xp[:, i] += h
-        jacobian_fd[:, :, i] = si_model.predict_output(xp) - si_model.predict_output(xm)
-    jacobian_fd /= 2.0 * h
-    npt.assert_allclose(jacobian_si, jacobian_fd, rtol=5e-7)
-
-
-def test_save_load_python(make_data_siso_krg):
-    si_model, _, _ = make_data_siso_krg
-    model_path = f"./{str(uuid.uuid4())}-model.h5"
-    extra_data_path = f"./{str(uuid.uuid4())}-extra-data.h5"
-    si_model.save_h5(model_path, extra_data_path)
-    si_model_loaded = SMTModel.load_h5(model_path, extra_data_path)
-    assert si_model == si_model_loaded
-
-
-def test_save_load_cpp(make_data_siso_rbf):
-    si_model, _, _ = make_data_siso_rbf
-    model_path = f"./{str(uuid.uuid4())}-model.h5"
-    extra_data_path = f"./{str(uuid.uuid4())}-extra-data.h5"
-    with pytest.raises(NotImplementedError):
-        si_model.save_h5(model_path, extra_data_path)

surrogates_interface-4.0.2/surrogates_interface/test/test_surrogates.py

@@ -1,22 +0,0 @@
-# -*- coding: utf-8 -*-
-import pytest
-
-from surrogates_interface.surrogates import SurrogateModel
-
-
-def test__save_model():
-    obj = SurrogateModel(lambda x: x + 2.0)
-    with pytest.raises(NotImplementedError):
-        obj._save_model("file")
-
-
-def test__load_model():
-    obj = SurrogateModel(lambda x: x + 2.0)
-    with pytest.raises(NotImplementedError):
-        obj._load_model("file")
-
-
-def test__predict_model_jacobian():
-    obj = SurrogateModel(lambda x: x + 2.0)
-    with pytest.raises(NotImplementedError):
-        obj._predict_model_jacobian(1.0)