scikit-learn integration guide

Scikit-learn (also known as sklearn) is an open-source machine learning framework commonly used for building predictive models. With the Neptune–scikit-learn integration, you can track your classifiers, regressors, and k-means clustering results, specifically:

• Classifier and regressor parameters
• Pickled model
• Test predictions and their probabilities
• Test scores
• Classifier and regressor visualizations, such as confusion matrix, precision–recall chart, and feature importance chart
• K-means cluster labels and clustering visualizations
• Code snapshots and Git information
• Custom model-building metadata

See example in Neptune  Code examples 

Before you start

• Sign up at neptune.ai/register.
• Create a project for storing your metadata.
• Have scikit-learn installed.

Installing the integration

Install integration onlyInstall Neptune + integration

To use your pre-installed version of Neptune together with the integration:

pip

pip install -U neptune-sklearn

conda

conda install -c conda-forge neptune-sklearn

To install both Neptune and the integration:

pip

pip install -U "neptune[sklearn]"

conda

conda install -c conda-forge neptune neptune-sklearn

Passing your Neptune credentials

Once you've registered and created a project, set your Neptune API token and full project name to the NEPTUNE_API_TOKEN and NEPTUNE_PROJECT environment variables, respectively.

export NEPTUNE_API_TOKEN="h0dHBzOi8aHR0cHM.4kl0jvYh3Kb8...6Lc"

To find your API token: In the bottom-left corner of the Neptune app, expand the user menu and select Get my API token.

export NEPTUNE_PROJECT="ml-team/classification"

To find your project: Your full project name has the form workspace-name/project-name. To copy the name, click the menu in the top-right corner and select Edit project details.

---

While it's not recommended especially for the API token, you can also pass your credentials in the code when initializing Neptune.

run = neptune.init_run(
    project="ml-team/classification",  # your full project name here
    api_token="h0dHBzOi8aHR0cHM6Lkc78ghs74kl0jvYh...3Kb8",  # your API token here
)

For more help, see Set Neptune credentials.

If you'd rather follow the guide without any setup, you can run the example in Colab .

scikit-learn logging example

This example shows how to log and observe metadata as you train your model with scikit-learn.

1. Create and fit an example estimator.

   Prepare a fitted estimator. The blow snippet illustrates the idea:

   from sklearn.datasets import fetch_california_housing
   from sklearn.ensemble import RandomForestRegressor
   from sklearn.model_selection import train_test_split
   
   parameters = {"n_estimators": 70, "max_depth": 7, "min_samples_split": 3}
   
   estimator = RandomForestRegressor(**parameters)
   X, y = fetch_california_housing(return_X_y=True)
   X_train, X_test, y_train, y_test = train_test_split(
       X,
       y,
       test_size=0.20,
   )
   estimator.fit(X_train, y_train)
   

2. Create a Neptune run:

   import neptune
   
   run = neptune.init_run()  # (1)!
   

   1. If you haven't set up your credentials, you can log anonymously:

      neptune.init_run(
          api_token=neptune.ANONYMOUS_API_TOKEN,
          project="common/sklearn-integration",
      )
      

3. To log parameters of your model training run, pass them to the namespace of your choice.

   For example, to log them under the namespace "params":

   run["params"] = parameters
   

4. Similarly, log scores on the test data under the namespaces and fields of your choice.

   y_pred = estimator.predict(X_test)
   
   run["scores/max_error"] = max_error(y_test, y_pred)
   run["scores/mean_absolute_error"] = mean_absolute_error(y_test, y_pred)
   run["scores/r2_score"] = r2_score(y_test, y_pred)
   

5. To stop the connection to Neptune and sync all data, call the stop() method:

   run.stop()
   

6. Run your script.

   To open the run, click the Neptune link that appears in the console output.

   Example link: https://app.neptune.ai/o/common/org/sklearn-integration/e/SKLEAR-115/metadata

See example in Neptune 

Logging estimator parameters

To only log estimator parameters, use the get_estimator_params() function:

import neptune.integrations.sklearn as npt_utils
from neptune.utils import stringify_unsupported

rfc = RandomForestClassifier()

run = neptune.init_run(name="only estimator params")  # name is optional

run["estimator/params"] = stringify_unsupported(npt_utils.get_estimator_params(rfr))

run.stop()

See in Neptune 

Logging pickled model

To log a fitted model as a pickled file, use the get_pickled_model() function:

import neptune.integrations.sklearn as npt_utils

rfc = RandomForestClassifier()
rfc.fit(X, y)

run = neptune.init_run(
    name="only pickled model",  # optional
)

run["estimator/pickled-model"] = npt_utils.get_pickled_model(rfc)

run.stop()

See in Neptune 

Logging confusion matrix

Use the create_confusion_matrix_chart() function to log a confusion matrix chart:

import neptune.integrations.sklearn as npt_utils

rfc = RandomForestClassifier()
X, y = load_digits(return_X_y=True)
X_train, X_test, y_train, y_test = train_test_split(
    X, y, test_size=0.20, random_state=28743
)
rfc.fit(X_train, y_train)

run = neptune.init_run(
    name="only confusion matrix",  # optional
)

run["confusion-matrix"] = npt_utils.create_confusion_matrix_chart(
    rfc, X_train, X_test, y_train, y_test
)

run.stop()

See in Neptune 

More options

You can also log regressor, classifier, or k-means summary information to Neptune. The summary includes:

• All parameters
• Visualizations
• Logged metadata
• Code snapshot and Git metadata
• K-means: Cluster labels
• Classifier and regressor:
  • Pickled model
  • Test predictions and their probabilities
  • Test scores

Logging classification summary

Start by preparing a fitted classifier.

Example

from sklearn.datasets import load_digits
from sklearn.ensemble import GradientBoostingClassifier
from sklearn.model_selection import train_test_split

parameters = {
    "n_estimators": 120,
    "learning_rate": 0.12,
    "min_samples_split": 3,
    "min_samples_leaf": 2,
}

gbc = GradientBoostingClassifier(**parameters)

X, y = load_digits(return_X_y=True)
X_train, X_test, y_train, y_test = train_test_split(X, y, test_size=0.2)

gbc.fit(X_train, y_train)

We'll use the gbc object to log metadata to the Neptune run.

1. Create a run:

   import neptune
   
   run = neptune.init_run(  # (1)!
       name="classification example",  # optional
       tags=["GradientBoostingClassifier", "classification"],  # optional
   )
   

   1. If you haven't set up your credentials, you can log anonymously:

      neptune.init_run(
          api_token=neptune.ANONYMOUS_API_TOKEN,
          project="common/sklearn-integration",
      )
      

2. In a namespace of your choice, log the classifier summary:

   import neptune.integrations.sklearn as npt_utils
   
   run["cls_summary"] = npt_utils.create_classifier_summary(
       gbc, X_train, X_test, y_train, y_test
   )
   

   In the snippet above, the namespace is cls_summary.

3. To stop the connection to Neptune and sync all data, call the stop() method:

   run.stop()
   

4. Run your script.

   To open the run, click the Neptune link that appears in the console output.

   Example link: https://app.neptune.ai/o/common/org/sklearn-integration/e/SKLEAR-95/metadata

You can browse the logged metadata in the Run details view.

See in Neptune 

Logging regression summary

Start by preparing a fitted regressor.

Example

from sklearn.datasets import fetch_california_housing
from sklearn.ensemble import RandomForestRegressor
from sklearn.model_selection import train_test_split

parameters = {"n_estimators": 70, "max_depth": 7, "min_samples_split": 3}

rfr = RandomForestRegressor(**parameters)

X, y = fetch_california_housing(return_X_y=True)
X_train, X_test, y_train, y_test = train_test_split(X, y, test_size=0.2)

rfr.fit(X_train, y_train)

We'll use the rfr object to log metadata to the Neptune run.

1. Create a run:

   import neptune
   
   run = neptune.init_run(  # (1)!
       name="regression example",  # optional
       tags=["GradientBoostingClassifier", "classification"],  # optional
   )
   

   1. If you haven't set up your credentials, you can log anonymously:

      neptune.init_run(
          api_token=neptune.ANONYMOUS_API_TOKEN,
          project="common/sklearn-integration",
      )
      

2. In a namespace of your choice, log the regressor summary:

   import neptune.integrations.sklearn as npt_utils
   
   run["rfr_summary"] = npt_utils.create_regressor_summary(
       rfr, X_train, X_test, y_train, y_test
   )
   

   In the snippet above, the namespace is rfr_summary.

3. To stop the connection to Neptune and sync all data, call the stop() method:

   run.stop()
   

4. Run your script.

   To open the run, click the Neptune link that appears in the console output.

   Example link: https://app.neptune.ai/o/common/org/sklearn-integration/e/SKLEAR-92/metadata

You can browse the logged metadata in the Run details view.

See in Neptune 

Logging k-means clustering summary

Start by preparing a KMeans object and example data.

Example

from sklearn.cluster import KMeans
from sklearn.datasets import make_blobs

parameters = {"n_init": 11, "max_iter": 270}

km = KMeans(**parameters)
X, y = make_blobs(n_samples=579, n_features=17, centers=7, random_state=28743)

1. Create a run:

   import neptune
   
   run = neptune.init_run(  # (1)!
       name="clustering-example",  # optional
       tags=["KMeans", "clustering"],  # optional
   )
   

   1. If you haven't set up your credentials, you can log anonymously:

      neptune.init_run(
          api_token=neptune.ANONYMOUS_API_TOKEN,
          project="common/sklearn-integration",
      )
      

2. In a namespace of your choice, log the regressor summary:

   import neptune.integrations.sklearn as npt_utils
   
   run["kmeans_summary"] = npt_utils.create_kmeans_summary(km, X, n_clusters=17)
   

   In the snippet above, the namespace is kmeans_summary.

3. To stop the connection to Neptune and sync all data, call the stop() method:

   run.stop()
   

4. Run your script.

   To open the run, click the Neptune link that appears in the console output.

   Example link: https://app.neptune.ai/o/common/org/sklearn-integration/e/SKLEAR-96/metadata

You can browse the logged metadata in the Run details view.

See in Neptune 

Manually logging metadata

If you have other types of metadata that are not covered in this guide, you can still log them using the Neptune client library.

When you initialize the run, you get a run object, to which you can assign different types of metadata in a structure of your own choosing.

import neptune

# Create a new Neptune run
run = neptune.init_run()

# Log metrics or other values inside loops
for epoch in range(n_epochs):
    ...  # Your training loop

    run["train/epoch/loss"].append(loss)  # Each append() appends a value
    run["train/epoch/accuracy"].append(acc)

# Upload files
run["test/preds"].upload("path/to/test_preds.csv")

# Track and version artifacts
run["train/images"].track_files("./datasets/images")

# Record numbers or text
run["tokenizer"] = "regexp_tokenize"

Related

• What you can log and display
• Resume a run
• Add Neptune to your code
• API reference ≫ scikit-learn integration
• neptune-sklearn repo on GitHub
• scikit-learn on GitHub