scikit-learn / scikit-learn/scikit-learn

Improve sample_weight handling in sag(a)

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Enhancement
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Python
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Description

Describe the bug

This may be more of a discussion, but overall I am not sure what treatment of weighting would preserve the convergence guarantees for the SAG(A) solver. So far as I see it, at each update step we uniformly select some index $i_j$ such that the update steps can be generalised as:

$x^{k+1} = x^{k} - \sum_{j=1}^{k} \alpha_{j} S(j, i_{1:k}) f'_{i_j}(x^j)$

Where $S(j, i_{1:k}) = 1/n$ if $j$ is the maximum iteration at which $i_j$ is selected.

For frequency based weighting, one could sample $i_j$ using weights as a probability, and under non-uniform sampling the SAG(A) convergence guarantees still seem to hold, (see here).

Alternatively as currently done, the weights could be multiplied through with the gradient update and that could also work, however I am not sure which method is best (we also here need to additionally consider the division by the cardinality of the set of "seen" elements within each update step).

Steps/Code to Reproduce
import numpy as np
from scipy.stats import kstest
from sklearn.linear_model.tests.test_sag import sag, squared_dloss
from sklearn.datasets import make_regression
from sklearn.utils._testing import assert_allclose_dense_sparse

step_size=0.01
alpha=1

n_features = 1

rng = np.random.RandomState(0)
X, y = make_regression(n_samples=10000,random_state=77,n_features=n_features)
weights = rng.randint(0,5,size=X.shape[0])

X_repeated = np.repeat(X,weights,axis=0)
y_repeated = np.repeat(y,weights,axis=0)

weights_w_all = np.zeros([n_features,100])
weights_r_all = np.zeros([n_features,100])

for random_state in np.arange(100):

    weights_w, int_w = sag(X,y,step_size=step_size,alpha=alpha,sample_weight=weights,dloss=squared_dloss,random_state=random_state)
    weights_w_all[:,random_state] = weights_w
    weights_r, int_r = sag(X_repeated,y_repeated,step_size=step_size,alpha=alpha,dloss=squared_dloss,random_state=random_state)
    weights_r_all[:,random_state] = weights_r

print(kstest(weights_r_all[0],weights_w_all[0]))

note that I modified sag in test_sag.py to accept random_state:

def sag(
    X,
    y,
    step_size,
    alpha,
    n_iter=1,
    dloss=None,
    sparse=False,
    sample_weight=None,
    fit_intercept=True,
    saga=False,
    random_state=77,
):
    n_samples, n_features = X.shape[0], X.shape[1]

    weights = np.zeros(X.shape[1])
    sum_gradient = np.zeros(X.shape[1])
    gradient_memory = np.zeros((n_samples, n_features))

    intercept = 0.0
    intercept_sum_gradient = 0.0
    intercept_gradient_memory = np.zeros(n_samples)

    rng = np.random.RandomState(random_state)
    decay = 1.0
    seen = set()

    # sparse data has a fixed decay of .01
    if sparse:
        decay = 0.01

    for epoch in range(n_iter):
        for k in range(n_samples):
            #if sample_weight is not None:
            #    idx = rng.choice(np.arange(n_samples),p=sample_weight/np.sum(sample_weight))
            #else:
            idx = int(rng.rand()*n_samples)
            # idx = k
            entry = X[idx]
            seen.add(idx)
            p = np.dot(entry, weights) + intercept
            gradient = dloss(p, y[idx])
            if sample_weight is not None:
                gradient *= sample_weight[idx]
            update = entry * gradient + alpha * weights
            gradient_correction = update - gradient_memory[idx]
            sum_gradient += gradient_correction
            gradient_memory[idx] = update
            if saga:
                weights -= gradient_correction * step_size * (1 - 1.0 / len(seen))

            if fit_intercept:
                gradient_correction = gradient - intercept_gradient_memory[idx]
                intercept_gradient_memory[idx] = gradient
                intercept_sum_gradient += gradient_correction
                gradient_correction *= step_size * (1.0 - 1.0 / len(seen))
                if saga:
                    intercept -= (
                        step_size * intercept_sum_gradient / len(seen) * decay
                    ) + gradient_correction
                else:
                    intercept -= step_size * intercept_sum_gradient / len(seen) * decay

            weights -= step_size * sum_gradient / len(seen)

    return weights, intercept
Expected Results

kstest should have p-value larger than 0.025

Actual Results
KstestResult(statistic=np.float64(0.44), pvalue=np.float64(4.414205948474835e-09), statistic_location=np.float64(24.644506472064027), statistic_sign=np.int8(-1))

With an example histogram of:

Image

Versions
System:
    python: 3.12.4 | packaged by conda-forge | (main, Jun 17 2024, 10:13:44) [Clang 16.0.6 ]
executable: /Users/shrutinath/micromamba/envs/scikit-learn/bin/python
   machine: macOS-14.3-arm64-arm-64bit

Python dependencies:
      sklearn: 1.8.dev0
          pip: 24.0
   setuptools: 75.8.0
        numpy: 2.0.0
        scipy: 1.14.0
       Cython: 3.0.10
       pandas: 2.2.2
   matplotlib: 3.9.0
       joblib: 1.4.2
threadpoolctl: 3.5.0

Built with OpenMP: True

threadpoolctl info:
       user_api: blas
   internal_api: openblas
    num_threads: 8
         prefix: libopenblas
...
    num_threads: 8
         prefix: libomp
       filepath: /Users/shrutinath/micromamba/envs/scikit-learn/lib/libomp.dylib
        version: None
Output is truncated. View as a scrollable element or open in a text editor. Adjust cell output settings...

Contributor guide

Open the contributing guide

First steps

  1. Read the whole issue, then the project's contributing guide.
  2. Comment on the issue to say you are picking it up — it saves two people doing the same work.
  3. Fork the repository and make your change on a branch.
  4. Open a pull request that references the issue number.

Research direction

Start with sklearn/linear_model/tests/test_sag.py and the sag entry point shown in the reproduction. Run the weighted-versus-repeated-sample experiment and inspect the sample_weight and random_state behavior. Done requires an agreed treatment of weighting that preserves the solver's convergence behavior, along with tests covering the discrepancy.

Written by the indexing model from the issue text.

Assessment

Tech stack
numpy, python, scikit-learn
Domain
machine-learning
Issue type
Bug
Difficulty
5/5
Estimated time
Over a week
Activity status
Stale
Clarity
Needs clarification
Newbie friendliness
28/100

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