# Authors: David Dale # Christian Lorentzen # License: BSD 3 clause import numpy as np import pytest from pytest import approx from scipy.optimize import minimize from sklearn.datasets import make_regression from sklearn.exceptions import ConvergenceWarning from sklearn.linear_model import HuberRegressor, QuantileRegressor from sklearn.metrics import mean_pinball_loss from sklearn.utils._testing import assert_allclose from sklearn.utils.fixes import parse_version, sp_version @pytest.fixture def X_y_data(): X, y = make_regression(n_samples=10, n_features=1, random_state=0, noise=1) return X, y @pytest.mark.parametrize( "params, err_msg", [ ({"quantile": 2}, "Quantile should be strictly between 0.0 and 1.0"), ({"quantile": 1}, "Quantile should be strictly between 0.0 and 1.0"), ({"quantile": 0}, "Quantile should be strictly between 0.0 and 1.0"), ({"quantile": -1}, "Quantile should be strictly between 0.0 and 1.0"), ({"alpha": -1.5}, "Penalty alpha must be a non-negative number"), ({"fit_intercept": "blah"}, "The argument fit_intercept must be bool"), ({"fit_intercept": 0}, "The argument fit_intercept must be bool"), ({"solver": "blah"}, "Invalid value for argument solver"), ( {"solver_options": "blah"}, "Invalid value for argument solver_options", ), ], ) def test_init_parameters_validation(X_y_data, params, err_msg): """Test that invalid init parameters raise errors.""" X, y = X_y_data with pytest.raises(ValueError, match=err_msg): QuantileRegressor(**params).fit(X, y) @pytest.mark.parametrize("solver", ("highs-ds", "highs-ipm", "highs")) @pytest.mark.skipif( sp_version >= parse_version("1.6.0"), reason="Solvers are available as of scipy 1.6.0", ) def test_too_new_solver_methods_raise_error(X_y_data, solver): """Test that highs solver raises for scipy<1.6.0.""" X, y = X_y_data with pytest.raises(ValueError, match="scipy>=1.6.0"): QuantileRegressor(solver=solver).fit(X, y) @pytest.mark.parametrize( "quantile, alpha, intercept, coef", [ # for 50% quantile w/o regularization, any slope in [1, 10] is okay [0.5, 0, 1, None], # if positive error costs more, the slope is maximal [0.51, 0, 1, 10], # if negative error costs more, the slope is minimal [0.49, 0, 1, 1], # for a small lasso penalty, the slope is also minimal [0.5, 0.01, 1, 1], # for a large lasso penalty, the model predicts the constant median [0.5, 100, 2, 0], ], ) def test_quantile_toy_example(quantile, alpha, intercept, coef): # test how different parameters affect a small intuitive example X = [[0], [1], [1]] y = [1, 2, 11] model = QuantileRegressor(quantile=quantile, alpha=alpha).fit(X, y) assert_allclose(model.intercept_, intercept, atol=1e-2) if coef is not None: assert_allclose(model.coef_[0], coef, atol=1e-2) if alpha < 100: assert model.coef_[0] >= 1 assert model.coef_[0] <= 10 @pytest.mark.parametrize("fit_intercept", [True, False]) def test_quantile_equals_huber_for_low_epsilon(fit_intercept): X, y = make_regression(n_samples=100, n_features=20, random_state=0, noise=1.0) alpha = 1e-4 huber = HuberRegressor( epsilon=1 + 1e-4, alpha=alpha, fit_intercept=fit_intercept ).fit(X, y) quant = QuantileRegressor(alpha=alpha, fit_intercept=fit_intercept).fit(X, y) assert_allclose(huber.coef_, quant.coef_, atol=1e-1) if fit_intercept: assert huber.intercept_ == approx(quant.intercept_, abs=1e-1) # check that we still predict fraction assert np.mean(y < quant.predict(X)) == approx(0.5, abs=1e-1) @pytest.mark.parametrize("q", [0.5, 0.9, 0.05]) def test_quantile_estimates_calibration(q): # Test that model estimates percentage of points below the prediction X, y = make_regression(n_samples=1000, n_features=20, random_state=0, noise=1.0) quant = QuantileRegressor( quantile=q, alpha=0, solver_options={"lstsq": False}, ).fit(X, y) assert np.mean(y < quant.predict(X)) == approx(q, abs=1e-2) def test_quantile_sample_weight(): # test that with unequal sample weights we still estimate weighted fraction n = 1000 X, y = make_regression(n_samples=n, n_features=5, random_state=0, noise=10.0) weight = np.ones(n) # when we increase weight of upper observations, # estimate of quantile should go up weight[y > y.mean()] = 100 quant = QuantileRegressor(quantile=0.5, alpha=1e-8, solver_options={"lstsq": False}) quant.fit(X, y, sample_weight=weight) fraction_below = np.mean(y < quant.predict(X)) assert fraction_below > 0.5 weighted_fraction_below = np.average(y < quant.predict(X), weights=weight) assert weighted_fraction_below == approx(0.5, abs=3e-2) @pytest.mark.skipif( sp_version < parse_version("1.6.0"), reason="The `highs` solver is available from the 1.6.0 scipy version", ) @pytest.mark.parametrize("quantile", [0.2, 0.5, 0.8]) def test_asymmetric_error(quantile): """Test quantile regression for asymmetric distributed targets.""" n_samples = 1000 rng = np.random.RandomState(42) X = np.concatenate( ( np.abs(rng.randn(n_samples)[:, None]), -rng.randint(2, size=(n_samples, 1)), ), axis=1, ) intercept = 1.23 coef = np.array([0.5, -2]) # Take care that X @ coef + intercept > 0 assert np.min(X @ coef + intercept) > 0 # For an exponential distribution with rate lambda, e.g. exp(-lambda * x), # the quantile at level q is: # quantile(q) = - log(1 - q) / lambda # scale = 1/lambda = -quantile(q) / log(1 - q) y = rng.exponential( scale=-(X @ coef + intercept) / np.log(1 - quantile), size=n_samples ) model = QuantileRegressor( quantile=quantile, alpha=0, solver="highs", ).fit(X, y) # This test can be made to pass with any solver but in the interest # of sparing continuous integration resources, the test is performed # with the fastest solver only. assert model.intercept_ == approx(intercept, rel=0.2) assert_allclose(model.coef_, coef, rtol=0.6) assert_allclose(np.mean(model.predict(X) > y), quantile, atol=1e-2) # Now compare to Nelder-Mead optimization with L1 penalty alpha = 0.01 model.set_params(alpha=alpha).fit(X, y) model_coef = np.r_[model.intercept_, model.coef_] def func(coef): loss = mean_pinball_loss(y, X @ coef[1:] + coef[0], alpha=quantile) L1 = np.sum(np.abs(coef[1:])) return loss + alpha * L1 res = minimize( fun=func, x0=[1, 0, -1], method="Nelder-Mead", tol=1e-12, options={"maxiter": 2000}, ) assert func(model_coef) == approx(func(res.x)) assert_allclose(model.intercept_, res.x[0]) assert_allclose(model.coef_, res.x[1:]) assert_allclose(np.mean(model.predict(X) > y), quantile, atol=1e-2) @pytest.mark.parametrize("quantile", [0.2, 0.5, 0.8]) def test_equivariance(quantile): """Test equivariace of quantile regression. See Koenker (2005) Quantile Regression, Chapter 2.2.3. """ rng = np.random.RandomState(42) n_samples, n_features = 100, 5 X, y = make_regression( n_samples=n_samples, n_features=n_features, n_informative=n_features, noise=0, random_state=rng, shuffle=False, ) # make y asymmetric y += rng.exponential(scale=100, size=y.shape) params = dict(alpha=0, solver_options={"lstsq": True, "tol": 1e-10}) model1 = QuantileRegressor(quantile=quantile, **params).fit(X, y) # coef(q; a*y, X) = a * coef(q; y, X) a = 2.5 model2 = QuantileRegressor(quantile=quantile, **params).fit(X, a * y) assert model2.intercept_ == approx(a * model1.intercept_, rel=1e-5) assert_allclose(model2.coef_, a * model1.coef_, rtol=1e-5) # coef(1-q; -a*y, X) = -a * coef(q; y, X) model2 = QuantileRegressor(quantile=1 - quantile, **params).fit(X, -a * y) assert model2.intercept_ == approx(-a * model1.intercept_, rel=1e-5) assert_allclose(model2.coef_, -a * model1.coef_, rtol=1e-5) # coef(q; y + X @ g, X) = coef(q; y, X) + g g_intercept, g_coef = rng.randn(), rng.randn(n_features) model2 = QuantileRegressor(quantile=quantile, **params) model2.fit(X, y + X @ g_coef + g_intercept) assert model2.intercept_ == approx(model1.intercept_ + g_intercept) assert_allclose(model2.coef_, model1.coef_ + g_coef, rtol=1e-6) # coef(q; y, X @ A) = A^-1 @ coef(q; y, X) A = rng.randn(n_features, n_features) model2 = QuantileRegressor(quantile=quantile, **params) model2.fit(X @ A, y) assert model2.intercept_ == approx(model1.intercept_, rel=1e-5) assert_allclose(model2.coef_, np.linalg.solve(A, model1.coef_), rtol=1e-5) def test_linprog_failure(): """Test that linprog fails.""" X = np.linspace(0, 10, num=10).reshape(-1, 1) y = np.linspace(0, 10, num=10) reg = QuantileRegressor( alpha=0, solver="interior-point", solver_options={"maxiter": 1} ) msg = "Linear programming for QuantileRegressor did not succeed." with pytest.warns(ConvergenceWarning, match=msg): reg.fit(X, y)