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Visualize regression in scikit-learn with Plotly.
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python
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ML Regression
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python/ml-regression/
thumbnail/ml-regression.png

This page shows how to use Plotly charts for displaying various types of regression models, starting from simple models like Linear Regression, and progressively move towards models like Decision Tree and Polynomial Features. We highlight various capabilities of plotly, such as comparative analysis of the same model with different parameters, displaying Latex, surface plots for 3D data, and enhanced prediction error analysis with Plotly Express.

We will use Scikit-learn to split and preprocess our data and train various regression models. Scikit-learn is a popular Machine Learning (ML) library that offers various tools for creating and training ML algorithms, feature engineering, data cleaning, and evaluating and testing models. It was designed to be accessible, and to work seamlessly with popular libraries like NumPy and Pandas.

Basic linear regression plots

In this section, we show you how to apply a simple regression model for predicting tips a server will receive based on various client attributes (such as sex, time of the week, and whether they are a smoker).

We will be using the Linear Regression, which is a simple model that fit an intercept (the mean tip received by a server), and add a slope for each feature we use, such as the value of the total bill. We show you how to do that with both Plotly Express and Scikit-learn.

Ordinary Least Square (OLS) with plotly.express

This example shows how to use plotly.express's trendline parameter to train a simply Ordinary Least Square (OLS) for predicting the tips waiters will receive based on the value of the total bill.

importplotly.expressaspxdf=px.data.tips() fig=px.scatter( df, x='total_bill', y='tip', opacity=0.65, trendline='ols', trendline_color_override='darkblue' ) fig.show()

Linear Regression with scikit-learn

You can also perform the same prediction using scikit-learn's LinearRegression.

importnumpyasnpimportplotly.expressaspximportplotly.graph_objectsasgofromsklearn.linear_modelimportLinearRegressiondf=px.data.tips() X=df.total_bill.values.reshape(-1, 1) model=LinearRegression() model.fit(X, df.tip) x_range=np.linspace(X.min(), X.max(), 100) y_range=model.predict(x_range.reshape(-1, 1)) fig=px.scatter(df, x='total_bill', y='tip', opacity=0.65) fig.add_traces(go.Scatter(x=x_range, y=y_range, name='Regression Fit')) fig.show()

ML Regression in Dash

Dash is the best way to build analytical apps in Python using Plotly figures. To run the app below, run pip install dash, click "Download" to get the code and run python app.py.

Get started with the official Dash docs and learn how to effortlessly style & deploy apps like this with Dash Enterprise.

fromIPython.displayimportIFramesnippet_url='https://python-docs-dash-snippets.herokuapp.com/python-docs-dash-snippets/'IFrame(snippet_url+'ml-regression', width='100%', height=1200)

Sign up for Dash Club → Free cheat sheets plus updates from Chris Parmer and Adam Schroeder delivered to your inbox every two months. Includes tips and tricks, community apps, and deep dives into the Dash architecture. Join now.

Model generalization on unseen data

With go.Scatter, you can easily color your plot based on a predefined data split. By coloring the training and the testing data points with different colors, you can easily see if whether the model generalizes well to the test data or not.

importnumpyasnpimportplotly.expressaspximportplotly.graph_objectsasgofromsklearn.linear_modelimportLinearRegressionfromsklearn.model_selectionimporttrain_test_splitdf=px.data.tips() X=df.total_bill.to_numpy()[:, None] X_train, X_test, y_train, y_test=train_test_split(X, df.tip, random_state=0) model=LinearRegression() model.fit(X_train, y_train) x_range=np.linspace(X.min(), X.max(), 100) y_range=model.predict(x_range.reshape(-1, 1)) fig=go.Figure([ go.Scatter(x=X_train.squeeze(), y=y_train, name='train', mode='markers'), go.Scatter(x=X_test.squeeze(), y=y_test, name='test', mode='markers'), go.Scatter(x=x_range, y=y_range, name='prediction') ]) fig.show()

Comparing different kNN models parameters

In addition to linear regression, it's possible to fit the same data using k-Nearest Neighbors. When you perform a prediction on a new sample, this model either takes the weighted or un-weighted average of the neighbors. In order to see the difference between those two averaging options, we train a kNN model with both of those parameters, and we plot them in the same way as the previous graph.

Notice how we can combine scatter points with lines using Plotly.py. You can learn more about multiple chart types.

importnumpyasnpimportplotly.expressaspximportplotly.graph_objectsasgofromsklearn.neighborsimportKNeighborsRegressordf=px.data.tips() X=df.total_bill.values.reshape(-1, 1) x_range=np.linspace(X.min(), X.max(), 100) # Model #1knn_dist=KNeighborsRegressor(10, weights='distance') knn_dist.fit(X, df.tip) y_dist=knn_dist.predict(x_range.reshape(-1, 1)) # Model #2knn_uni=KNeighborsRegressor(10, weights='uniform') knn_uni.fit(X, df.tip) y_uni=knn_uni.predict(x_range.reshape(-1, 1)) fig=px.scatter(df, x='total_bill', y='tip', color='sex', opacity=0.65) fig.add_traces(go.Scatter(x=x_range, y=y_uni, name='Weights: Uniform')) fig.add_traces(go.Scatter(x=x_range, y=y_dist, name='Weights: Distance')) fig.show()

Displaying PolynomialFeatures using $\LaTeX$

Notice how linear regression fits a straight line, but kNN can take non-linear shapes. Moreover, it is possible to extend linear regression to polynomial regression by using scikit-learn's PolynomialFeatures, which lets you fit a slope for your features raised to the power of n, where n=1,2,3,4 in our example.

With Plotly, it's easy to display latex equations in legend and titles by simply adding $ before and after your equation. This way, you can see the coefficients that our polynomial regression fitted.

importnumpyasnpimportplotly.expressaspximportplotly.graph_objectsasgofromsklearn.linear_modelimportLinearRegressionfromsklearn.preprocessingimportPolynomialFeaturesdefformat_coefs(coefs): equation_list= [f"{coef}x^{i}"fori, coefinenumerate(coefs)] equation="$"+" + ".join(equation_list) +"$"replace_map= {"x^0": "", "x^1": "x", '+ -': '- '} forold, newinreplace_map.items(): equation=equation.replace(old, new) returnequationdf=px.data.tips() X=df.total_bill.values.reshape(-1, 1) x_range=np.linspace(X.min(), X.max(), 100).reshape(-1, 1) fig=px.scatter(df, x='total_bill', y='tip', opacity=0.65) fordegreein [1, 2, 3, 4]: poly=PolynomialFeatures(degree) poly.fit(X) X_poly=poly.transform(X) x_range_poly=poly.transform(x_range) model=LinearRegression(fit_intercept=False) model.fit(X_poly, df.tip) y_poly=model.predict(x_range_poly) equation=format_coefs(model.coef_.round(2)) fig.add_traces(go.Scatter(x=x_range.squeeze(), y=y_poly, name=equation)) fig.show()

3D regression surface with px.scatter_3d and go.Surface

Visualize the decision plane of your model whenever you have more than one variable in your input data. Here, we will use sklearn.svm.SVR, which is a Support Vector Machine (SVM) model specifically designed for regression.

importnumpyasnpimportplotly.expressaspximportplotly.graph_objectsasgofromsklearn.svmimportSVRmesh_size=.02margin=0df=px.data.iris() X=df[['sepal_width', 'sepal_length']] y=df['petal_width'] # Condition the model on sepal width and length, predict the petal widthmodel=SVR(C=1.) model.fit(X, y) # Create a mesh grid on which we will run our modelx_min, x_max=X.sepal_width.min() -margin, X.sepal_width.max() +marginy_min, y_max=X.sepal_length.min() -margin, X.sepal_length.max() +marginxrange=np.arange(x_min, x_max, mesh_size) yrange=np.arange(y_min, y_max, mesh_size) xx, yy=np.meshgrid(xrange, yrange) # Run modelpred=model.predict(np.c_[xx.ravel(), yy.ravel()]) pred=pred.reshape(xx.shape) # Generate the plotfig=px.scatter_3d(df, x='sepal_width', y='sepal_length', z='petal_width') fig.update_traces(marker=dict(size=5)) fig.add_traces(go.Surface(x=xrange, y=yrange, z=pred, name='pred_surface')) fig.show()

Visualizing coefficients for multiple linear regression (MLR)

Visualizing regression with one or two variables is straightforward, since we can respectively plot them with scatter plots and 3D scatter plots. Moreover, if you have more than 2 features, you will need to find alternative ways to visualize your data.

One way is to use bar charts. In our example, each bar indicates the coefficients of our linear regression model for each input feature. Our model was trained on the Iris dataset.

importpandasaspdimportplotly.expressaspximportplotly.graph_objectsasgofromsklearn.linear_modelimportLinearRegressiondf=px.data.iris() X=df.drop(columns=['petal_width', 'species_id']) X=pd.get_dummies(X, columns=['species'], prefix_sep='=') y=df['petal_width'] model=LinearRegression() model.fit(X, y) colors= ['Positive'ifc>0else'Negative'forcinmodel.coef_] fig=px.bar( x=X.columns, y=model.coef_, color=colors, color_discrete_sequence=['red', 'blue'], labels=dict(x='Feature', y='Linear coefficient'), title='Weight of each feature for predicting petal width' ) fig.show()

Prediction Error Plots

When you are working with very high-dimensional data, it is inconvenient to plot every dimension with your output y. Instead, you can use methods such as prediction error plots, which let you visualize how well your model does compared to the ground truth.

Simple actual vs predicted plot

This example shows you the simplest way to compare the predicted output vs. the actual output. A good model will have most of the scatter dots near the diagonal black line.

importplotly.expressaspximportplotly.graph_objectsasgofromsklearn.linear_modelimportLinearRegressiondf=px.data.iris() X=df[['sepal_width', 'sepal_length']] y=df['petal_width'] # Condition the model on sepal width and length, predict the petal widthmodel=LinearRegression() model.fit(X, y) y_pred=model.predict(X) fig=px.scatter(x=y, y=y_pred, labels={'x': 'ground truth', 'y': 'prediction'}) fig.add_shape( type="line", line=dict(dash='dash'), x0=y.min(), y0=y.min(), x1=y.max(), y1=y.max() ) fig.show()

Enhanced prediction error analysis using plotly.express

Add marginal histograms to quickly diagnoses any prediction bias your model might have. The built-in OLS functionality let you visualize how well your model generalizes by comparing it with the theoretical optimal fit (black dotted line).

importplotly.expressaspximportplotly.graph_objectsasgofromsklearn.linear_modelimportLinearRegressionfromsklearn.model_selectionimporttrain_test_splitdf=px.data.iris() # Split data into training and test splitstrain_idx, test_idx=train_test_split(df.index, test_size=.25, random_state=0) df['split'] ='train'df.loc[test_idx, 'split'] ='test'X=df[['sepal_width', 'sepal_length']] y=df['petal_width'] X_train=df.loc[train_idx, ['sepal_width', 'sepal_length']] y_train=df.loc[train_idx, 'petal_width'] # Condition the model on sepal width and length, predict the petal widthmodel=LinearRegression() model.fit(X_train, y_train) df['prediction'] =model.predict(X) fig=px.scatter( df, x='petal_width', y='prediction', marginal_x='histogram', marginal_y='histogram', color='split', trendline='ols' ) fig.update_traces(histnorm='probability', selector={'type':'histogram'}) fig.add_shape( type="line", line=dict(dash='dash'), x0=y.min(), y0=y.min(), x1=y.max(), y1=y.max() ) fig.show()

Residual plots

Just like prediction error plots, it's easy to visualize your prediction residuals in just a few lines of codes using plotly.express built-in capabilities.

importnumpyasnpimportplotly.expressaspximportplotly.graph_objectsasgofromsklearn.linear_modelimportLinearRegressionfromsklearn.model_selectionimporttrain_test_splitdf=px.data.iris() # Split data into training and test splitstrain_idx, test_idx=train_test_split(df.index, test_size=.25, random_state=0) df['split'] ='train'df.loc[test_idx, 'split'] ='test'X=df[['sepal_width', 'sepal_length']] X_train=df.loc[train_idx, ['sepal_width', 'sepal_length']] y_train=df.loc[train_idx, 'petal_width'] # Condition the model on sepal width and length, predict the petal widthmodel=LinearRegression() model.fit(X_train, y_train) df['prediction'] =model.predict(X) df['residual'] =df['prediction'] -df['petal_width'] fig=px.scatter( df, x='prediction', y='residual', marginal_y='violin', color='split', trendline='ols' ) fig.show()

Visualize regularization across cross-validation folds

In this example, we show how to plot the results of various $\alpha$ penalization values from the results of cross-validation using scikit-learn's LassoCV. This is useful to see how much the error of the optimal alpha actually varies across CV folds.

importnumpyasnpimportpandasaspdimportplotly.expressaspximportplotly.graph_objectsasgofromsklearn.linear_modelimportLassoCVfromsklearn.preprocessingimportStandardScalerN_FOLD=6# Load and preprocess the datadf=px.data.gapminder() X=df.drop(columns=['lifeExp', 'iso_num']) X=pd.get_dummies(X, columns=['country', 'continent', 'iso_alpha']) y=df['lifeExp'] # Normalize the datascaler=StandardScaler() X_scaled=scaler.fit_transform(X) # Train model to predict life expectancymodel=LassoCV(cv=N_FOLD) model.fit(X_scaled, y) mean_alphas=model.mse_path_.mean(axis=-1) fig=go.Figure([ go.Scatter( x=model.alphas_, y=model.mse_path_[:, i], name=f"Fold: {i+1}", opacity=.5, line=dict(dash='dash'), hovertemplate="alpha: %{x} <br>MSE: %{y}" ) foriinrange(N_FOLD) ]) fig.add_traces(go.Scatter( x=model.alphas_, y=mean_alphas, name='Mean', line=dict(color='black', width=3), hovertemplate="alpha: %{x} <br>MSE: %{y}", )) fig.add_shape( type="line", line=dict(dash='dash'), x0=model.alpha_, y0=0, x1=model.alpha_, y1=1, yref='paper' ) fig.update_layout( xaxis=dict( title=dict( text='alpha' ), type='log' ), yaxis=dict( title=dict( text='Mean Square Error (MSE)' ) ), ) fig.show()

Grid search visualization using px.density_heatmap and px.box

In this example, we show how to visualize the results of a grid search on a DecisionTreeRegressor. The first plot shows how to visualize the score of each model parameter on individual splits (grouped using facets). The second plot aggregates the results of all splits such that each box represents a single model.

importnumpyasnpimportpandasaspdimportplotly.expressaspximportplotly.graph_objectsasgofromsklearn.model_selectionimportGridSearchCVfromsklearn.treeimportDecisionTreeRegressorN_FOLD=6# Load and shuffle dataframedf=px.data.iris() df=df.sample(frac=1, random_state=0) X=df[['sepal_width', 'sepal_length']] y=df['petal_width'] # Define and fit the gridmodel=DecisionTreeRegressor() param_grid= { 'criterion': ['mse', 'friedman_mse', 'mae'], 'max_depth': range(2, 5) } grid=GridSearchCV(model, param_grid, cv=N_FOLD) grid.fit(X, y) grid_df=pd.DataFrame(grid.cv_results_) # Convert the wide format of the grid into the long format# accepted by plotly.expressmelted= ( grid_df .rename(columns=lambdacol: col.replace('param_', '')) .melt( value_vars=[f'split{i}_test_score'foriinrange(N_FOLD)], id_vars=['mean_test_score', 'mean_fit_time', 'criterion', 'max_depth'], var_name="cv_split", value_name="r_squared" ) ) # Format the variable names for simplicitymelted['cv_split'] = ( melted['cv_split'] .str.replace('_test_score', '') .str.replace('split', '') ) # Single function call to plot each figurefig_hmap=px.density_heatmap( melted, x="max_depth", y='criterion', histfunc="sum", z="r_squared", title='Grid search results on individual fold', hover_data=['mean_fit_time'], facet_col="cv_split", facet_col_wrap=3, labels={'mean_test_score': "mean_r_squared"} ) fig_box=px.box( melted, x='max_depth', y='r_squared', title='Grid search results ', hover_data=['mean_fit_time'], points='all', color="criterion", hover_name='cv_split', labels={'mean_test_score': "mean_r_squared"} ) # Displayfig_hmap.show() fig_box.show()

Reference

Learn more about the px figures used in this tutorial:

Learn more about the Machine Learning models used in this tutorial:

Other tutorials that inspired this notebook:

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