dice_ml/explainer_interfaces/dice_tensorflow2.py

"""
Module to generate diverse counterfactual explanations based on tensorflow 2.x
"""
import copy
import random
import timeit

import numpy as np
import tensorflow as tf

from dice_ml import diverse_counterfactuals as exp
from dice_ml.counterfactual_explanations import CounterfactualExplanations
from dice_ml.explainer_interfaces.explainer_base import ExplainerBase


class DiceTensorFlow2(ExplainerBase):

    def __init__(self, data_interface, model_interface):
        """Init method
        :param data_interface: an interface class to access data related params.
        :param model_interface: an interface class to access trained ML model.

        """
        # initiating data related parameters
        super().__init__(data_interface)
        # initializing model related variables
        self.model = model_interface
        self.model.load_model()  # loading trained model
        self.model.transformer.feed_data_params(data_interface)
        self.model.transformer.initialize_transform_func()
        # temp data to create some attributes like encoded feature names
        if hasattr(self.data_interface, "data_df"):
            temp_ohe_data = self.model.transformer.transform(self.data_interface.data_df.iloc[[0]])
        else:
            temp_ohe_data = None
        self.data_interface.create_ohe_params(temp_ohe_data)
        self.minx, self.maxx, self.encoded_categorical_feature_indexes, self.encoded_continuous_feature_indexes, \
            self.cont_minx, self.cont_maxx, self.cont_precisions = self.data_interface.get_data_params_for_gradient_dice()

        # number of output nodes of ML model
        self.num_output_nodes = self.model.get_num_output_nodes(len(self.data_interface.ohe_encoded_feature_names)).shape[1]

        # variables required to generate CFs - see generate_counterfactuals() for more info
        self.cfs = []
        self.features_to_vary = []
        self.cf_init_weights = []  # total_CFs, algorithm, features_to_vary
        self.loss_weights = []  # yloss_type, diversity_loss_type, feature_weights
        self.feature_weights_input = ''
        self.hyperparameters = [1, 1, 1]  # proximity_weight, diversity_weight, categorical_penalty
        self.optimizer_weights = []  # optimizer, learning_rate

    def generate_counterfactuals(self, query_instance, total_CFs, desired_class="opposite", proximity_weight=0.5,
                                 diversity_weight=1.0, categorical_penalty=0.1, algorithm="DiverseCF",
                                 features_to_vary="all", permitted_range=None, yloss_type="hinge_loss",
                                 diversity_loss_type="dpp_style:inverse_dist", feature_weights="inverse_mad",
                                 optimizer="tensorflow:adam", learning_rate=0.05, min_iter=500, max_iter=5000,
                                 project_iter=0, loss_diff_thres=1e-5, loss_converge_maxiter=1, verbose=False,
                                 init_near_query_instance=True, tie_random=False, stopping_threshold=0.5,
                                 posthoc_sparsity_param=0.1, posthoc_sparsity_algorithm="linear", limit_steps_ls=10000):
        """Generates diverse counterfactual explanations

        :param query_instance: Test point of interest. A dictionary of feature names and values or a single row dataframe
        :param total_CFs: Total number of counterfactuals required.
        :param desired_class: Desired counterfactual class - can take 0 or 1. Default value is "opposite" to the
                              outcome class of query_instance for binary classification.
        :param proximity_weight: A positive float. Larger this weight, more close the counterfactuals are to
                                 the query_instance.
        :param diversity_weight: A positive float. Larger this weight, more diverse the counterfactuals are.
        :param categorical_penalty: A positive float. A weight to ensure that all levels of a categorical
                                    variable sums to 1.
        :param algorithm: Counterfactual generation algorithm. Either "DiverseCF" or "RandomInitCF".
        :param features_to_vary: Either a string "all" or a list of feature names to vary.
        :param permitted_range: Dictionary with continuous feature names as keys and permitted min-max range in list as values.
                               Defaults to the range inferred from training data. If None, uses the parameters initialized
                               in data_interface.
        :param yloss_type: Metric for y-loss of the optimization function. Takes "l2_loss" or "log_loss" or "hinge_loss".
        :param diversity_loss_type: Metric for diversity loss of the optimization function.
                                    Takes "avg_dist" or "dpp_style:inverse_dist".
        :param feature_weights: Either "inverse_mad" or a dictionary with feature names as keys and corresponding
                                weights as values. Default option is "inverse_mad" where the weight for a continuous feature
                                is the inverse of the Median Absolute Devidation (MAD) of the feature's values in the training
                                set; the weight for a categorical feature is equal to 1 by default.
        :param optimizer: Tensorflow optimization algorithm. Currently tested only with "tensorflow:adam".

        :param learning_rate: Learning rate for optimizer.
        :param min_iter: Min iterations to run gradient descent for.
        :param max_iter: Max iterations to run gradient descent for.
        :param project_iter: Project the gradients at an interval of these many iterations.
        :param loss_diff_thres: Minimum difference between successive loss values to check convergence.
        :param loss_converge_maxiter: Maximum number of iterations for loss_diff_thres to hold to declare convergence.
                                      Defaults to 1, but we assigned a more conservative value of 2 in the paper.
        :param verbose: Print intermediate loss value.
        :param init_near_query_instance: Boolean to indicate if counterfactuals are to be initialized near query_instance.
        :param tie_random: Used in rounding off CFs and intermediate projection.
        :param stopping_threshold: Minimum threshold for counterfactuals target class probability.
        :param posthoc_sparsity_param: Parameter for the post-hoc operation on continuous features to enhance sparsity.
        :param posthoc_sparsity_algorithm: Perform either linear or binary search. Takes "linear" or "binary".
                                           Prefer binary search when a feature range is large
                                           (for instance, income varying from 10k to 1000k) and only if the features
                                           share a monotonic relationship with predicted outcome in the model.
        :param limit_steps_ls: Defines an upper limit for the linear search step in the posthoc_sparsity_enhancement

        :return: A CounterfactualExamples object to store and visualize the resulting counterfactual explanations
                (see diverse_counterfactuals.py).

        """
        # check feature MAD validity and throw warnings
        if feature_weights == "inverse_mad":
            self.data_interface.get_valid_mads(display_warnings=True, return_mads=False)

        # check permitted range for continuous features
        if permitted_range is not None:
            # if not self.data_interface.check_features_range(permitted_range):
            #     raise ValueError(
            #         "permitted range of features should be within their original range")
            # else:
            self.data_interface.permitted_range = permitted_range
            self.minx, self.maxx = self.data_interface.get_minx_maxx(normalized=True)
            self.cont_minx = []
            self.cont_maxx = []
            for feature in self.data_interface.continuous_feature_names:
                self.cont_minx.append(self.data_interface.permitted_range[feature][0])
                self.cont_maxx.append(self.data_interface.permitted_range[feature][1])

        # if([total_CFs, algorithm, features_to_vary] != self.cf_init_weights):
        self.do_cf_initializations(total_CFs, algorithm, features_to_vary)
        if [yloss_type, diversity_loss_type, feature_weights] != self.loss_weights:
            self.do_loss_initializations(yloss_type, diversity_loss_type, feature_weights)
        if [proximity_weight, diversity_weight, categorical_penalty] != self.hyperparameters:
            self.update_hyperparameters(proximity_weight, diversity_weight, categorical_penalty)

        final_cfs_df, test_instance_df, final_cfs_df_sparse = \
            self.find_counterfactuals(query_instance, desired_class, optimizer,
                                      learning_rate, min_iter, max_iter, project_iter,
                                      loss_diff_thres, loss_converge_maxiter, verbose,
                                      init_near_query_instance, tie_random, stopping_threshold,
                                      posthoc_sparsity_param, posthoc_sparsity_algorithm, limit_steps_ls)

        counterfactual_explanations = exp.CounterfactualExamples(
            data_interface=self.data_interface,
            final_cfs_df=final_cfs_df,
            test_instance_df=test_instance_df,
            final_cfs_df_sparse=final_cfs_df_sparse,
            posthoc_sparsity_param=posthoc_sparsity_param,
            desired_class=desired_class)

        return CounterfactualExplanations(cf_examples_list=[counterfactual_explanations])

    def predict_fn(self, input_instance):
        """prediction function"""
        temp_preds = self.model.get_output(input_instance).numpy()
        return np.array([preds[(self.num_output_nodes-1):] for preds in temp_preds], dtype=np.float32)

    def predict_fn_for_sparsity(self, input_instance):
        """prediction function for sparsity correction"""
        input_instance = self.model.transformer.transform(input_instance).to_numpy()
        return self.predict_fn(tf.constant(input_instance, dtype=tf.float32))

    def do_cf_initializations(self, total_CFs, algorithm, features_to_vary):
        """Intializes CFs and other related variables."""

        self.cf_init_weights = [total_CFs, algorithm, features_to_vary]

        if algorithm == "RandomInitCF":
            # no. of times to run the experiment with random inits for diversity
            self.total_random_inits = total_CFs
            self.total_CFs = 1          # size of counterfactual set
        else:
            self.total_random_inits = 0
            self.total_CFs = total_CFs  # size of counterfactual set

        # freeze those columns that need to be fixed
        if features_to_vary != self.features_to_vary:
            self.features_to_vary = features_to_vary
        self.feat_to_vary_idxs = self.data_interface.get_indexes_of_features_to_vary(features_to_vary=features_to_vary)
        self.freezer = tf.constant([1.0 if ix in self.feat_to_vary_idxs else 0.0 for ix in range(len(self.minx[0]))])

        # CF initialization
        if len(self.cfs) != self.total_CFs:
            self.cfs = []
            for _ in range(self.total_CFs):
                one_init = [[]]
                for jx in range(self.minx.shape[1]):
                    one_init[0].append(np.random.uniform(self.minx[0][jx], self.maxx[0][jx]))
                self.cfs.append(tf.Variable(one_init, dtype=tf.float32))

    def do_loss_initializations(self, yloss_type, diversity_loss_type, feature_weights):
        """Intializes variables related to main loss function"""

        self.loss_weights = [yloss_type, diversity_loss_type, feature_weights]

        # define the loss parts
        self.yloss_type = yloss_type
        self.diversity_loss_type = diversity_loss_type

        # define feature weights
        if feature_weights != self.feature_weights_input:
            self.feature_weights_input = feature_weights
            if feature_weights == "inverse_mad":
                normalized_mads = self.data_interface.get_valid_mads(normalized=True)
                feature_weights = {}
                for feature in normalized_mads:
                    feature_weights[feature] = round(1/normalized_mads[feature], 2)

            feature_weights_list = []
            for feature in self.data_interface.ohe_encoded_feature_names:
                if feature in feature_weights:
                    feature_weights_list.append(feature_weights[feature])
                else:
                    feature_weights_list.append(1.0)
            self.feature_weights_list = tf.constant([feature_weights_list], dtype=tf.float32)

    def update_hyperparameters(self, proximity_weight, diversity_weight, categorical_penalty):
        """Update hyperparameters of the loss function"""

        self.hyperparameters = [proximity_weight, diversity_weight, categorical_penalty]
        self.proximity_weight = proximity_weight
        self.diversity_weight = diversity_weight
        self.categorical_penalty = categorical_penalty

    def do_optimizer_initializations(self, optimizer, learning_rate):
        """Initializes gradient-based TensorFLow optimizers."""
        opt_method = optimizer.split(':')[1]

        # optimizater initialization
        if opt_method == "adam":
            self.optimizer = tf.compat.v1.train.AdamOptimizer(learning_rate=learning_rate)
        elif opt_method == "rmsprop":
            self.optimizer = tf.compat.v1.train.RMSPropOptimizer(learning_rate=learning_rate)

    def compute_yloss(self):
        """Computes the first part (y-loss) of the loss function."""
        yloss = 0.0
        for i in range(self.total_CFs):
            if self.yloss_type == "l2_loss":
                temp_loss = tf.pow((self.model.get_output(self.cfs[i]) - self.target_cf_class), 2)
                temp_loss = temp_loss[:, (self.num_output_nodes-1):][0][0]
            elif self.yloss_type == "log_loss":
                temp_logits = tf.compat.v1.log((tf.abs(
                    self.model.get_output(
                        self.cfs[i]) - 0.000001))/(1 - tf.abs(self.model.get_output(self.cfs[i]) - 0.000001)))
                temp_logits = temp_logits[:, (self.num_output_nodes-1):]
                temp_loss = tf.nn.sigmoid_cross_entropy_with_logits(
                    logits=temp_logits, labels=self.target_cf_class)[0][0]
            elif self.yloss_type == "hinge_loss":
                temp_logits = tf.compat.v1.log((tf.abs(
                    self.model.get_output(
                        self.cfs[i]) - 0.000001))/(1 - tf.abs(self.model.get_output(self.cfs[i]) - 0.000001)))
                temp_logits = temp_logits[:, (self.num_output_nodes-1):]
                temp_loss = tf.compat.v1.losses.hinge_loss(
                    logits=temp_logits, labels=self.target_cf_class)

            yloss += temp_loss

        return yloss/self.total_CFs

    def compute_dist(self, x_hat, x1):
        """Compute weighted distance between two vectors."""
        return tf.reduce_sum(tf.multiply((tf.abs(x_hat - x1)), self.feature_weights_list))

    def compute_proximity_loss(self):
        """Compute the second part (distance from x1) of the loss function."""
        proximity_loss = 0.0
        for i in range(self.total_CFs):
            proximity_loss += self.compute_dist(self.cfs[i], self.x1)
        return proximity_loss/tf.cast((tf.multiply(len(self.minx[0]), self.total_CFs)), dtype=tf.float32)

    def dpp_style(self, submethod):
        """Computes the DPP of a matrix."""
        det_entries = []
        if submethod == "inverse_dist":
            for i in range(self.total_CFs):
                for j in range(self.total_CFs):
                    det_temp_entry = tf.divide(1.0, tf.add(
                        1.0, self.compute_dist(self.cfs[i], self.cfs[j])))
                    if i == j:
                        det_temp_entry = tf.add(det_temp_entry, 0.0001)
                    det_entries.append(det_temp_entry)

        elif submethod == "exponential_dist":
            for i in range(self.total_CFs):
                for j in range(self.total_CFs):
                    det_temp_entry = tf.divide(1.0, tf.exp(
                        self.compute_dist(self.cfs[i], self.cfs[j])))
                    det_entries.append(det_temp_entry)

        det_entries = tf.reshape(det_entries, [self.total_CFs, self.total_CFs])
        diversity_loss = tf.compat.v1.matrix_determinant(det_entries)
        return diversity_loss

    def compute_diversity_loss(self):
        """Computes the third part (diversity) of the loss function."""
        if self.total_CFs == 1:
            return tf.constant(0.0)

        if "dpp" in self.diversity_loss_type:
            submethod = self.diversity_loss_type.split(':')[1]
            return tf.reduce_sum(self.dpp_style(submethod))
        elif self.diversity_loss_type == "avg_dist":
            diversity_loss = 0.0
            count = 0.0
            # computing pairwise distance and transforming it to normalized similarity
            for i in range(self.total_CFs):
                for j in range(i+1, self.total_CFs):
                    count += 1.0
                    diversity_loss += 1.0/(1.0 + self.compute_dist(self.cfs[i], self.cfs[j]))

            return 1.0 - (diversity_loss/count)

    def compute_regularization_loss(self):
        """Adds a linear equality constraints to the loss functions - to ensure all levels
           of a categorical variable sums to one"""
        regularization_loss = 0.0
        for i in range(self.total_CFs):
            for v in self.encoded_categorical_feature_indexes:
                regularization_loss += tf.pow((tf.reduce_sum(self.cfs[i][0, v[0]:v[-1]+1]) - 1.0), 2)

        return regularization_loss

    def compute_loss(self):
        """Computes the overall loss"""
        self.yloss = self.compute_yloss()
        self.proximity_loss = self.compute_proximity_loss() if self.proximity_weight > 0 else 0.0
        self.diversity_loss = self.compute_diversity_loss() if self.diversity_weight > 0 else 0.0
        self.regularization_loss = self.compute_regularization_loss()

        self.loss = self.yloss + (self.proximity_weight * self.proximity_loss) - \
            (self.diversity_weight * self.diversity_loss) + \
            (self.categorical_penalty * self.regularization_loss)
        return self.loss

    def initialize_CFs(self, query_instance, init_near_query_instance=False):
        """Initialize counterfactuals."""
        for n in range(self.total_CFs):
            one_init = []
            for i in range(len(self.minx[0])):
                if i in self.feat_to_vary_idxs:
                    if init_near_query_instance:
                        one_init.append(query_instance[0][i]+(n*0.01))
                    else:
                        one_init.append(np.random.uniform(self.minx[0][i], self.maxx[0][i]))
                else:
                    one_init.append(query_instance[0][i])
            one_init = np.array([one_init], dtype=np.float32)
            self.cfs[n].assign(one_init)

    def round_off_cfs(self, assign=False):
        """function for intermediate projection of CFs."""
        temp_cfs = []
        for index, tcf in enumerate(self.cfs):
            cf = tcf.numpy()
            for i, v in enumerate(self.encoded_continuous_feature_indexes):
                # continuous feature in orginal scale
                org_cont = (cf[0, v]*(self.cont_maxx[i] - self.cont_minx[i])) + self.cont_minx[i]
                org_cont = round(org_cont, self.cont_precisions[i])  # rounding off
                normalized_cont = (org_cont - self.cont_minx[i])/(self.cont_maxx[i] - self.cont_minx[i])
                cf[0, v] = normalized_cont  # assign the projected continuous value

            for v in self.encoded_categorical_feature_indexes:
                maxs = np.argwhere(
                    cf[0, v[0]:v[-1]+1] == np.amax(cf[0, v[0]:v[-1]+1])).flatten().tolist()
                if len(maxs) > 1:
                    if self.tie_random:
                        ix = random.choice(maxs)
                    else:
                        ix = maxs[0]
                else:
                    ix = maxs[0]
                for vi in range(len(v)):
                    if vi == ix:
                        cf[0, v[vi]] = 1.0
                    else:
                        cf[0, v[vi]] = 0.0

            temp_cfs.append(cf)
            if assign:
                self.cfs[index].assign(temp_cfs[index])

        if assign:
            return None
        else:
            return temp_cfs

    def stop_loop(self, itr, loss_diff):
        """Determines the stopping condition for gradient descent."""

        # intermediate projections
        if self.project_iter > 0 and itr > 0:
            if itr % self.project_iter == 0:
                self.round_off_cfs(assign=True)

        # do GD for min iterations
        if itr < self.min_iter:
            return False

        # stop GD if max iter is reached
        if itr >= self.max_iter:
            return True

        # else stop when loss diff is small & all CFs are valid (less or greater than a stopping threshold)
        if loss_diff <= self.loss_diff_thres:
            self.loss_converge_iter += 1
            if self.loss_converge_iter < self.loss_converge_maxiter:
                return False
            else:
                temp_cfs = self.round_off_cfs(assign=False)
                test_preds = [self.predict_fn(tf.constant(cf, dtype=tf.float32))[0] for cf in temp_cfs]

                if self.target_cf_class == 0 and all(i <= self.stopping_threshold for i in test_preds):
                    self.converged = True
                    return True
                elif self.target_cf_class == 1 and all(i >= self.stopping_threshold for i in test_preds):
                    self.converged = True
                    return True
                else:
                    return False
        else:
            self.loss_converge_iter = 0
            return False

    def find_counterfactuals(self, query_instance, desired_class, optimizer, learning_rate, min_iter,
                             max_iter, project_iter, loss_diff_thres, loss_converge_maxiter, verbose,
                             init_near_query_instance, tie_random, stopping_threshold, posthoc_sparsity_param,
                             posthoc_sparsity_algorithm, limit_steps_ls):
        """Finds counterfactuals by gradient-descent."""

        query_instance = self.model.transformer.transform(query_instance).to_numpy()
        self.x1 = tf.constant(query_instance, dtype=tf.float32)

        # find the predicted value of query_instance
        test_pred = self.predict_fn(tf.constant(query_instance, dtype=tf.float32))[0][0]
        if desired_class == "opposite":
            desired_class = 1.0 - round(test_pred)
        self.target_cf_class = np.array([[desired_class]], dtype=np.float32)

        self.min_iter = min_iter
        self.max_iter = max_iter
        self.project_iter = project_iter
        self.loss_diff_thres = loss_diff_thres
        # no. of iterations to wait to confirm that loss has converged
        self.loss_converge_maxiter = loss_converge_maxiter
        self.loss_converge_iter = 0
        self.converged = False

        self.stopping_threshold = stopping_threshold
        if self.target_cf_class == 0 and self.stopping_threshold > 0.5:
            self.stopping_threshold = 0.25
        elif self.target_cf_class == 1 and self.stopping_threshold < 0.5:
            self.stopping_threshold = 0.75

        # to resolve tie - if multiple levels of an one-hot-encoded categorical variable take value 1
        self.tie_random = tie_random

        # running optimization steps
        start_time = timeit.default_timer()
        self.final_cfs = []

        # looping the find CFs depending on whether its random initialization or not
        loop_find_CFs = self.total_random_inits if self.total_random_inits > 0 else 1

        # variables to backup best known CFs so far in the optimization process -
        # if the CFs dont converge in max_iter iterations, then best_backup_cfs is returned.
        self.best_backup_cfs = [0]*max(self.total_CFs, loop_find_CFs)
        self.best_backup_cfs_preds = [0]*max(self.total_CFs, loop_find_CFs)
        self.min_dist_from_threshold = [100]*loop_find_CFs  # for backup CFs

        for loop_ix in range(loop_find_CFs):
            # CF init
            if self.total_random_inits > 0:
                self.initialize_CFs(query_instance, False)
            else:
                self.initialize_CFs(query_instance, init_near_query_instance)

            # initialize optimizer
            self.do_optimizer_initializations(optimizer, learning_rate)

            iterations = 0
            loss_diff = 1.0
            prev_loss = 0.0

            while self.stop_loop(iterations, loss_diff) is False:

                # compute loss and tape the variables history
                with tf.GradientTape() as tape:
                    loss_value = self.compute_loss()

                # get gradients
                grads = tape.gradient(loss_value, self.cfs)

                # freeze features other than feat_to_vary_idxs
                for ix in range(self.total_CFs):
                    grads[ix] *= self.freezer

                # apply gradients and update the variables
                self.optimizer.apply_gradients(zip(grads, self.cfs))

                # projection step
                for j in range(0, self.total_CFs):
                    temp_cf = self.cfs[j].numpy()
                    clip_cf = np.clip(temp_cf, self.minx, self.maxx)  # clipping
                    # to remove -ve sign before 0.0 in some cases
                    clip_cf = np.add(clip_cf, np.array(
                        [np.zeros([self.minx.shape[1]])]))
                    self.cfs[j].assign(clip_cf)

                if verbose:
                    if (iterations) % 50 == 0:
                        print('step %d,  loss=%g' % (iterations+1, loss_value))

                loss_diff = abs(loss_value-prev_loss)
                prev_loss = loss_value
                iterations += 1

                # backing up CFs if they are valid
                temp_cfs_stored = self.round_off_cfs(assign=False)
                test_preds_stored = [self.predict_fn(tf.constant(cf, dtype=tf.float32)) for cf in temp_cfs_stored]

                if ((self.target_cf_class == 0 and all(i <= self.stopping_threshold for i in test_preds_stored)) or
                   (self.target_cf_class == 1 and all(i >= self.stopping_threshold for i in test_preds_stored))):
                    avg_preds_dist = np.mean([abs(pred[0][0]-self.stopping_threshold) for pred in test_preds_stored])
                    if avg_preds_dist < self.min_dist_from_threshold[loop_ix]:
                        self.min_dist_from_threshold[loop_ix] = avg_preds_dist
                        for ix in range(self.total_CFs):
                            self.best_backup_cfs[loop_ix+ix] = copy.deepcopy(temp_cfs_stored[ix])
                            self.best_backup_cfs_preds[loop_ix+ix] = copy.deepcopy(test_preds_stored[ix])

            # rounding off final cfs - not necessary when inter_project=True
            self.round_off_cfs(assign=True)

            # storing final CFs
            for j in range(0, self.total_CFs):
                temp = self.cfs[j].numpy()
                self.final_cfs.append(temp)

            # max iterations at which GD stopped
            self.max_iterations_run = iterations

        self.elapsed = timeit.default_timer() - start_time
        self.cfs_preds = [self.predict_fn(tf.constant(cfs, dtype=tf.float32)) for cfs in self.final_cfs]

        # update final_cfs from backed up CFs if valid CFs are not found
        if ((self.target_cf_class == 0 and any(i[0] > self.stopping_threshold for i in self.cfs_preds)) or
           (self.target_cf_class == 1 and any(i[0] < self.stopping_threshold for i in self.cfs_preds))):
            for loop_ix in range(loop_find_CFs):
                if self.min_dist_from_threshold[loop_ix] != 100:
                    for ix in range(self.total_CFs):
                        self.final_cfs[loop_ix+ix] = copy.deepcopy(self.best_backup_cfs[loop_ix+ix])
                        self.cfs_preds[loop_ix+ix] = copy.deepcopy(self.best_backup_cfs_preds[loop_ix+ix])

        # do inverse transform of CFs to original user-fed format
        cfs = np.array([self.final_cfs[i][0] for i in range(len(self.final_cfs))])
        final_cfs_df = self.model.transformer.inverse_transform(
               self.data_interface.get_decoded_data(cfs))
        cfs_preds = [np.round(preds.flatten().tolist(), 3) for preds in self.cfs_preds]
        cfs_preds = [item for sublist in cfs_preds for item in sublist]
        final_cfs_df[self.data_interface.outcome_name] = np.array(cfs_preds)

        test_instance_df = self.model.transformer.inverse_transform(
                self.data_interface.get_decoded_data(query_instance))
        test_instance_df[self.data_interface.outcome_name] = np.array(np.round(test_pred, 3))

        # post-hoc operation on continuous features to enhance sparsity - only for public data
        if posthoc_sparsity_param is not None and posthoc_sparsity_param > 0 and \
                'data_df' in self.data_interface.__dict__:
            final_cfs_df_sparse = final_cfs_df.copy()
            final_cfs_df_sparse = self.do_posthoc_sparsity_enhancement(final_cfs_df_sparse,
                                                                       test_instance_df,
                                                                       posthoc_sparsity_param,
                                                                       posthoc_sparsity_algorithm,
                                                                       limit_steps_ls)
        else:
            final_cfs_df_sparse = None
        # need to check the above code on posthoc sparsity

        # if posthoc_sparsity_param != None and posthoc_sparsity_param > 0 and 'data_df' in self.data_interface.__dict__:
        #     final_cfs_sparse = copy.deepcopy(self.final_cfs)
        #     cfs_preds_sparse = copy.deepcopy(self.cfs_preds)
        #     self.final_cfs_sparse, self.cfs_preds_sparse = self.do_posthoc_sparsity_enhancement(
        #           self.total_CFs, final_cfs_sparse, cfs_preds_sparse, query_instance, posthoc_sparsity_param,
        #           posthoc_sparsity_algorithm, total_random_inits=self.total_random_inits)
        # else:
        #     self.final_cfs_sparse = None
        #     self.cfs_preds_sparse = None

        m, s = divmod(self.elapsed, 60)
        if ((self.target_cf_class == 0 and all(i <= self.stopping_threshold for i in self.cfs_preds)) or
           (self.target_cf_class == 1 and all(i >= self.stopping_threshold for i in self.cfs_preds))):
            self.total_CFs_found = max(loop_find_CFs, self.total_CFs)
            valid_ix = [ix for ix in range(max(loop_find_CFs, self.total_CFs))]  # indexes of valid CFs
            print('Diverse Counterfactuals found! total time taken: %02d' %
                  m, 'min %02d' % s, 'sec')
        else:
            self.total_CFs_found = 0
            valid_ix = []  # indexes of valid CFs
            for cf_ix, pred in enumerate(self.cfs_preds):
                if ((self.target_cf_class == 0 and pred < self.stopping_threshold) or
                   (self.target_cf_class == 1 and pred > self.stopping_threshold)):
                    self.total_CFs_found += 1
                    valid_ix.append(cf_ix)

            if self.total_CFs_found == 0:
                print('No Counterfactuals found for the given configuation, perhaps try with different ',
                      'values of proximity (or diversity) weights or learning rate...',
                      '; total time taken: %02d' % m, 'min %02d' % s, 'sec')
            else:
                print('Only %d (required %d)' % (self.total_CFs_found, max(loop_find_CFs, self.total_CFs)),
                      ' Diverse Counterfactuals found for the given configuation, perhaps try with different',
                      'values of proximity (or diversity) weights or learning rate...',
                      '; total time taken: %02d' % m, 'min %02d' % s, 'sec')

        if final_cfs_df_sparse is not None:
            final_cfs_df_sparse = final_cfs_df_sparse.iloc[valid_ix].reset_index(drop=True)
        # returning only valid CFs
        return final_cfs_df.iloc[valid_ix].reset_index(drop=True), test_instance_df, final_cfs_df_sparse