inference_model_main.py

import argparse
import argparse

# import shap
import pandas as pd
import numpy as np
import matplotlib.pyplot as plt
import os
import tensorflow as tf

from utils import encode_categorical, scale_numerical, fill_nans, unpickle_file, EnsembleModel, read_data
from sklearn.metrics import mean_absolute_error, mean_absolute_percentage_error, r2_score
import pickle


def predict(model_path, data, explainer=None, scaler_targets=None):
    model_extension = model_path.split(".")[-1]
    if model_extension == "h5":
        model = tf.keras.models.load_model(model_path)
    else:
        model = unpickle_file(model_path)
    pred = model.predict(data)
    if model_extension != "h5":
        # Fix for the RF model in the case where there is one feature only (other cases not supported so far)
        pred = pred.reshape(-1, 1)
    if scaler_targets is not None:
        pred = scaler_targets.inverse_transform(pred)
    if explainer:
        return pred, data.columns, explainer.shap_values(data[-10:])
    else:
        return pred


def predict_from_multiple_models(
    models_order, model_path_dict, data, explainer_path_dict={}, scaler_targets_path_dict={}
):
    """
    This function is used in the gradio to predict different targets from different models
    """
    y_pred_list = []
    shap_values_list = []

    for predict_name in models_order:
        if predict_name in scaler_targets_path_dict.keys():
            scaler_targets = unpickle_file(scaler_targets_path_dict[predict_name])
        else:
            scaler_targets = None
        if predict_name in explainer_path_dict.keys():
            explainer = unpickle_file(explainer_path_dict[predict_name])
            y_pred, _, shap_values = predict(
                model_path_dict[predict_name], data, explainer=explainer, scaler_targets=scaler_targets
            )
            shap_values_list += [shap_values]
        else:
            explainer = None
            y_pred = predict(model_path_dict[predict_name], data, explainer=explainer, scaler_targets=scaler_targets)

        df_pred_task = pd.DataFrame(y_pred, columns=[predict_name])
        # y_pred_list += [y_pred[0][0]]
        y_pred_list.append(df_pred_task)
    df_pred = pd.concat(y_pred_list, axis=1)
    if len(shap_values_list) > 0:
        return df_pred, shap_values_list
    else:
        return df_pred


def predict_from_ensemble_model(ensemble_model_path, data, explainer=None, uncertainty_type="confidence_interval"):
    """
    Returns the prediction of the model defnied using the EnsembleModel class
    """
    ensemble_model = unpickle_file(ensemble_model_path)
    pred_mean, pred_uncertainty = ensemble_model.predict_w_uncertainty(data, uncertainty_type=uncertainty_type)
    if explainer is not None:
        shap_values = explainer.shap_values(data[-10:])
        return pred_mean, pred_uncertainty, shap_values
    return pred_mean, pred_uncertainty


def predict_all_results(
    df,
    main_model_path,
    main_input_cols_order,
    scaler_targets_main=None,
    intermediate_model_path=None,
    intermediate_results_columns=[],
    return_uncertainty=False,
    uncertainty_type="confidence_interval",
):
    """
    Initial df must be scaled

    Args:
    -----
        df: pd.DataFrame
            Initial inputs
        main_model_path: str
            Path to the model to compute the main results
        scaler_target_main: scaler for the main results
        intermediate_model_path: None, str, dict can be a path to a model or a dict of models
        intermediate_results_columns: List(str)
    """
    if type(intermediate_model_path) == str:
        # This section has not been checked (LB)s
        predictions_constraint = predict(intermediate_model_path, df)
        input_data_main = np.concatenate([df.values[:, :-1], predictions_constraint, [df.values[:, -1]]], axis=1)
    elif type(intermediate_model_path) == dict:
        ### Predict the intermediaary results from a dictionary of models (not rescaled version of the intermediary outputs)
        outputs_df = predict_from_multiple_models(
            intermediate_results_columns,
            intermediate_model_path,
            df,
            explainer_path_dict={},
            scaler_targets_path_dict={},
        )
        input_data_main = pd.concat([df, outputs_df], axis=1)  # Concatenate the scaled version of the data
    else:
        input_data_main = df.copy()

    # Put data in the right order for the main model
    input_data_main = input_data_main[main_input_cols_order]
    # Run the main prediction
    model_extension = main_model_path.split(".")[-1]
    if model_extension == "h5":
        predictions = predict(main_model_path, input_data_main, scaler_targets=scaler_targets_main)
        uncertainty = None
    else:
        predictions, uncertainty = predict_from_ensemble_model(
            main_model_path, input_data_main, uncertainty_type=uncertainty_type
        )

    if return_uncertainty:
        return predictions, uncertainty
    return predictions


def get_test_inference(
    main_folder,
    columns_numerical,
    columns_target,
    model_name,
    test_data_path,
    x_data_scaled=True,
    y_data_rescaled=False,
):
    X_test_data = read_data(os.path.join(main_folder, test_data_path))
    columns_categorical = [column for column in X_test_data.columns if column not in columns_numerical]

    y_test_data = unpickle_file(os.path.join(main_folder, "y_test_data.pickle"))
    one_hot_scaler = unpickle_file(os.path.join(main_folder, "one_hot_scaler.pickle"))
    minmax_scaler_targets = unpickle_file(os.path.join(main_folder, "minmax_scaler_targets.pickle"))
    minmax_scaler_inputs = unpickle_file(os.path.join(main_folder, "minmax_scaler_inputs.pickle"))

    for col in columns_target:
        if col in columns_numerical:
            columns_numerical.remove(col)
    # If the data has not been already scaled
    if not x_data_scaled:
        df_with_results = X_test_data.copy()
        X_test_data = scale_numerical(
            X_test_data, minmax_scaler_inputs.feature_names_in_, scaler=minmax_scaler_inputs, fit=False
        )
    else:
        df_with_results = pd.DataFrame(minmax_scaler_inputs.inverse_transform(X_test_data), columns=X_test_data.columns)

    ### Run model in inference mode
    predictions = predict(os.path.join(main_folder, model_name), X_test_data)
    y_test_data = minmax_scaler_targets.inverse_transform(y_test_data)

    # Depending on the model used the targets may already be rescaled (case of Ensemble models to run the uncertainty)
    if not y_data_rescaled:
        predictions = minmax_scaler_targets.inverse_transform(predictions)

    print("***************************************************")
    print(predictions)
    print(predictions.shape, y_test_data.shape)
    results = pd.DataFrame(
        {
            "predictions": np.squeeze(predictions[:, 0]),
            "ground truth": np.squeeze(y_test_data),
            "mae": np.abs(np.squeeze(predictions[:, 0]) - np.squeeze(y_test_data)),
            "mse": np.sqrt(np.square(np.squeeze(predictions[:, 0]) - np.squeeze(y_test_data))),
            "percentage error": np.abs(
                (np.squeeze(predictions[:, 0]) - np.squeeze(y_test_data)) / np.squeeze(predictions[:, 0])
            )
            * 100,
        }
    )

    mean_results = pd.DataFrame(
        {
            "mean mae": [np.mean(results["mae"])],
            "mean mse": [np.mean(results["mse"])],
            "mean percentage error": [np.mean(results["percentage error"])],
        }
    )
    print(mean_results)

    metrics = {
        "mae": mean_absolute_error(y_test_data, predictions),
        "mape": mean_absolute_percentage_error(y_test_data, predictions),
        "r2": r2_score(y_test_data, predictions),
    }

    with open(os.path.join(main_folder, "metrics.pkl"), "wb+") as file:
        pickle.dump(metrics, file)

    ### Plot predictions vs ground truth
    plt.clf()
    plt.scatter(results["ground truth"], results["predictions"], c="r")
    plt.plot(results["ground truth"], results["ground truth"])
    plt.xlabel("Ground truth")
    plt.ylabel("Predictions")
    fig = plt.gcf()
    fig.savefig(os.path.join(main_folder, "plot_performance_test.png"))
    plt.show()

    df_with_results["ground_truth"] = y_test_data
    df_with_results["predictions"] = predictions
    return metrics


if __name__ == "__main__":
    parser = argparse.ArgumentParser(description="Process parameters")
    parser.add_argument(
        "--model_path", type=str, help="The path to your model file", default="model_hardness.h5", required=False
    )
    parser.add_argument(
        "--model_folder", type=str, help="The path to your model folder", default="./models/phases", required=False
    )
    parser.add_argument(
        "--df_columns",
        type=str,
        help="List of data columns of dataset",
        default="%A,%B,%C,%D,%E,%F,%Phase_A,%Phase_B,%Phase_C,%Phase_D,%Phase_E,%Phase_F,%A_Matrice,%B_Matrice,%C_Matrice,%D_Matrice,%E_Matrice,%F_Matrice,H,Temperature",
        required=False,
    )
    parser.add_argument("--columns_target", type=str, help="List of target columns", default="H", required=False)
    parser.add_argument(
        "--columns_numerical",
        type=str,
        help="List of data columns with numeric values",
        default="%A,%B,%C,%D,%E,%F,%Phase_A,%Phase_B,%Phase_C,%Phase_D,%Phase_E,%Phase_F,%A_Matrice,%B_Matrice,%C_Matrice,%D_Matrice,%E_Matrice,%F_Matrice,H,Temperature_C",
        required=False,
    )
    parser.add_argument(
        "--data_path",
        type=str,
        help="The path to your input data for inference",
        default="X_test_data.pickle",
        required=False,
    )

    args = parser.parse_args()

    ### Get categorical and numerical columns
    columns_numerical = args.columns_numerical.split(",") if args.columns_numerical else []
    df_columns = args.df_columns.split(",")
    columns_target = args.columns_target.split(",")

    get_test_inference(
        args.model_folder,
        columns_numerical,
        columns_target,
        args.model_path,
        args.data_path,
        x_data_scaled=True,
        y_data_rescaled=False,
    )