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Non-negative least squares#In this example, we fit a linear model with positive constraints on the regression coefficients and compare the estimated coefficients to a classic linear regression.
# Authors: The scikit-learn developers # SPDX-License-Identifier: BSD-3-Clause import matplotlib.pyplot as plt import numpy as np from sklearn.metrics import r2_score
Generate some random data
Split the data in train set and test set
Fit the Non-Negative least squares.
from sklearn.linear_model import LinearRegression
reg_nnls = LinearRegression(positive=True)
y_pred_nnls = reg_nnls.fit(X_train, y_train).predict(X_test)
r2_score_nnls = r2_score(y_test, y_pred_nnls)
print("NNLS R2 score", r2_score_nnls)
NNLS R2 score 0.8225220806196525
Fit an OLS.
reg_ols = LinearRegression()
y_pred_ols = reg_ols.fit(X_train, y_train).predict(X_test)
r2_score_ols = r2_score(y_test, y_pred_ols)
print("OLS R2 score", r2_score_ols)
OLS R2 score 0.7436926291700354
Comparing the regression coefficients between OLS and NNLS, we can observe they are highly correlated (the dashed line is the identity relation), but the non-negative constraint shrinks some to 0. The Non-Negative Least squares inherently yield sparse results.
fig, ax = plt.subplots()
ax.plot(reg_ols.coef_, reg_nnls.coef_, linewidth=0, marker=".")
low_x, high_x = ax.get_xlim()
low_y, high_y = ax.get_ylim()
low = max(low_x, low_y)
high = min(high_x, high_y)
ax.plot([low, high], [low, high], ls="--", c=".3", alpha=0.5)
ax.set_xlabel("OLS regression coefficients", fontweight="bold")
ax.set_ylabel("NNLS regression coefficients", fontweight="bold")
Text(55.847222222222214, 0.5, 'NNLS regression coefficients')
Total running time of the script: (0 minutes 0.064 seconds)
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