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how does sklearn do Linear regression when p >n?

it's known that when the number of variables (p) is larger than the number of samples (n) the least square estimator is not defined.

In sklearn I receive this values:

In [30]: lm = LinearRegression().fit(xx,y_train)

In [31]: lm.coef_
Out[31]: 
array([[ 0.20092363, -0.14378298, -0.33504391, ..., -0.40695124,
         0.08619906, -0.08108713]])

In [32]: xx.shape
Out[32]: (1097, 3419)

Call [30] should return an error. How does sklearn work when p>n like in this case?

EDIT: It seems that the matrix is filled with some values

if n > m:
        # need to extend b matrix as it will be filled with
        # a larger solution matrix
        if len(b1.shape) == 2:
            b2 = np.zeros((n, nrhs), dtype=gelss.dtype)
            b2[:m,:] = b1
        else:
            b2 = np.zeros(n, dtype=gelss.dtype)
            b2[:m] = b1
        b1 = b2
like image 987
Donbeo Avatar asked Feb 12 '23 23:02

Donbeo


1 Answers

When the linear system is underdetermined, then the sklearn.linear_model.LinearRegression finds the minimum L2 norm solution, i.e.

argmin_w l2_norm(w) subject to Xw = y

This is always well defined and obtainable by applying the pseudoinverse of X to y, i.e.

w = np.linalg.pinv(X).dot(y)

The specific implementation of scipy.linalg.lstsq, which is used by LinearRegression uses get_lapack_funcs(('gelss',), ... which is precisely a solver that finds the minimum norm solution via singular value decomposition (provided by LAPACK).

Check out this example

import numpy as np
rng = np.random.RandomState(42)
X = rng.randn(5, 10)
y = rng.randn(5)

from sklearn.linear_model import LinearRegression
lr = LinearRegression(fit_intercept=False)
coef1 = lr.fit(X, y).coef_
coef2 = np.linalg.pinv(X).dot(y)

print(coef1)
print(coef2)

And you will see that coef1 == coef2. (Note that fit_intercept=False is specified in the constructor of the sklearn estimator, because otherwise it would subtract the mean of each feature before fitting the model, yielding different coefficients)

like image 89
eickenberg Avatar answered Mar 04 '23 21:03

eickenberg