Steady state estimator

TPOTEstimatorSteadyState

Bases: BaseEstimator

Source code in tpot2/tpot_estimator/steady_state_estimator.py

class TPOTEstimatorSteadyState(BaseEstimator):
    def __init__(self,  scorers= [],
                        scorers_weights = [],
                        classification = False,
                        cv = 5,
                        other_objective_functions=[], #tpot2.objectives.estimator_objective_functions.number_of_nodes_objective],
                        other_objective_functions_weights = [],
                        objective_function_names = None,
                        bigger_is_better = True,
                        max_size = np.inf,
                        linear_pipeline = False,
                        root_config_dict= 'Auto',
                        inner_config_dict=["selectors", "transformers"],
                        leaf_config_dict= None,
                        cross_val_predict_cv = 0,
                        categorical_features = None,
                        subsets = None,
                        memory = None,
                        preprocessing = False,
                        validation_strategy = "none",
                        validation_fraction = .2,
                        disable_label_encoder = False,

                        initial_population_size = 50,
                        population_size = 50,
                        max_evaluated_individuals = None,



                        early_stop = None,
                        early_stop_seconds = None,
                        scorers_early_stop_tol = 0.001,
                        other_objectives_early_stop_tol = None,
                        max_time_seconds=None,
                        max_eval_time_seconds=60*10,
                        n_jobs=1,
                        memory_limit = "4GB",
                        client = None,

                        crossover_probability=.2,
                        mutate_probability=.7,
                        mutate_then_crossover_probability=.05,
                        crossover_then_mutate_probability=.05,
                        survival_selector = survival_select_NSGA2,
                        parent_selector = tournament_selection_dominated,
                        budget_range = None,
                        budget_scaling = .5,
                        individuals_until_end_budget = 1,
                        stepwise_steps = 5,

                        warm_start = False,
                        subset_column = None,

                        verbose = 0,
                        periodic_checkpoint_folder = None,
                        callback = None,
                        processes = True,

                        scatter = True,

                        # random seed for random number generator (rng)
                        random_state = None,

                        optuna_optimize_pareto_front = False,
                        optuna_optimize_pareto_front_trials = 100,
                        optuna_optimize_pareto_front_timeout = 60*10,
                        optuna_storage = "sqlite:///optuna.db",
                        ):

        '''
        An sklearn baseestimator that uses genetic programming to optimize a pipeline.

        Parameters
        ----------

        scorers : (list, scorer)
            A scorer or list of scorers to be used in the cross-validation process.
            see https://scikit-learn.org/stable/modules/model_evaluation.html

        scorers_weights : list
            A list of weights to be applied to the scorers during the optimization process.

        classification : bool
            If True, the problem is treated as a classification problem. If False, the problem is treated as a regression problem.
            Used to determine the CV strategy.

        cv : int, cross-validator
            - (int): Number of folds to use in the cross-validation process. By uses the sklearn.model_selection.KFold cross-validator for regression and StratifiedKFold for classification. In both cases, shuffled is set to True.
            - (sklearn.model_selection.BaseCrossValidator): A cross-validator to use in the cross-validation process.

        other_objective_functions : list, default=[]
            A list of other objective functions to apply to the pipeline. The function takes a single parameter for the graphpipeline estimator and returns either a single score or a list of scores.

        other_objective_functions_weights : list, default=[]
            A list of weights to be applied to the other objective functions.

        objective_function_names : list, default=None
            A list of names to be applied to the objective functions. If None, will use the names of the objective functions.

        bigger_is_better : bool, default=True
            If True, the objective function is maximized. If False, the objective function is minimized. Use negative weights to reverse the direction.


        max_size : int, default=np.inf
            The maximum number of nodes of the pipelines to be generated.

        linear_pipeline : bool, default=False
            If True, the pipelines generated will be linear. If False, the pipelines generated will be directed acyclic graphs.

        root_config_dict : dict, default='auto'
            The configuration dictionary to use for the root node of the model.
            If 'auto', will use "classifiers" if classification=True, else "regressors".
            - 'selectors' : A selection of sklearn Selector methods.
            - 'classifiers' : A selection of sklearn Classifier methods.
            - 'regressors' : A selection of sklearn Regressor methods.
            - 'transformers' : A selection of sklearn Transformer methods.
            - 'arithmetic_transformer' : A selection of sklearn Arithmetic Transformer methods that replicate symbolic classification/regression operators.
            - 'passthrough' : A node that just passes though the input. Useful for passing through raw inputs into inner nodes.
            - 'feature_set_selector' : A selector that pulls out specific subsets of columns from the data. Only well defined as a leaf.
                                        Subsets are set with the subsets parameter.
            - 'skrebate' : Includes ReliefF, SURF, SURFstar, MultiSURF.
            - 'MDR' : Includes MDR.
            - 'ContinuousMDR' : Includes ContinuousMDR.
            - 'genetic encoders' : Includes Genetic Encoder methods as used in AutoQTL.
            - 'FeatureEncodingFrequencySelector': Includes FeatureEncodingFrequencySelector method as used in AutoQTL.
            - list : a list of strings out of the above options to include the corresponding methods in the configuration dictionary.

        inner_config_dict : dict, default=["selectors", "transformers"]
            The configuration dictionary to use for the inner nodes of the model generation.
            Default ["selectors", "transformers"]
            - 'selectors' : A selection of sklearn Selector methods.
            - 'classifiers' : A selection of sklearn Classifier methods.
            - 'regressors' : A selection of sklearn Regressor methods.
            - 'transformers' : A selection of sklearn Transformer methods.
            - 'arithmetic_transformer' : A selection of sklearn Arithmetic Transformer methods that replicate symbolic classification/regression operators.
            - 'passthrough' : A node that just passes though the input. Useful for passing through raw inputs into inner nodes.
            - 'feature_set_selector' : A selector that pulls out specific subsets of columns from the data. Only well defined as a leaf.
                                        Subsets are set with the subsets parameter.
            - 'skrebate' : Includes ReliefF, SURF, SURFstar, MultiSURF.
            - 'MDR' : Includes MDR.
            - 'ContinuousMDR' : Includes ContinuousMDR.
            - 'genetic encoders' : Includes Genetic Encoder methods as used in AutoQTL.
            - 'FeatureEncodingFrequencySelector': Includes FeatureEncodingFrequencySelector method as used in AutoQTL.
            - list : a list of strings out of the above options to include the corresponding methods in the configuration dictionary.
            - None : If None and max_depth>1, the root_config_dict will be used for the inner nodes as well.

        leaf_config_dict : dict, default=None
            The configuration dictionary to use for the leaf node of the model. If set, leaf nodes must be from this dictionary.
            Otherwise leaf nodes will be generated from the root_config_dict.
            Default None
            - 'selectors' : A selection of sklearn Selector methods.
            - 'classifiers' : A selection of sklearn Classifier methods.
            - 'regressors' : A selection of sklearn Regressor methods.
            - 'transformers' : A selection of sklearn Transformer methods.
            - 'arithmetic_transformer' : A selection of sklearn Arithmetic Transformer methods that replicate symbolic classification/regression operators.
            - 'passthrough' : A node that just passes though the input. Useful for passing through raw inputs into inner nodes.
            - 'feature_set_selector' : A selector that pulls out specific subsets of columns from the data. Only well defined as a leaf.
                                        Subsets are set with the subsets parameter.
            - 'skrebate' : Includes ReliefF, SURF, SURFstar, MultiSURF.
            - 'MDR' : Includes MDR.
            - 'ContinuousMDR' : Includes ContinuousMDR.
            - 'genetic encoders' : Includes Genetic Encoder methods as used in AutoQTL.
            - 'FeatureEncodingFrequencySelector': Includes FeatureEncodingFrequencySelector method as used in AutoQTL.
            - list : a list of strings out of the above options to include the corresponding methods in the configuration dictionary.
            - None : If None, a leaf will not be required (i.e. the pipeline can be a single root node). Leaf nodes will be generated from the inner_config_dict.

        cross_val_predict_cv : int, default=0
            Number of folds to use for the cross_val_predict function for inner classifiers and regressors. Estimators will still be fit on the full dataset, but the following node will get the outputs from cross_val_predict.

            - 0-1 : When set to 0 or 1, the cross_val_predict function will not be used. The next layer will get the outputs from fitting and transforming the full dataset.
            - >=2 : When fitting pipelines with inner classifiers or regressors, they will still be fit on the full dataset.
                    However, the output to the next node will come from cross_val_predict with the specified number of folds.

        categorical_features: list or None
            Categorical columns to inpute and/or one hot encode during the preprocessing step. Used only if preprocessing is not False.
            - None : If None, TPOT2 will automatically use object columns in pandas dataframes as objects for one hot encoding in preprocessing.
            - List of categorical features. If X is a dataframe, this should be a list of column names. If X is a numpy array, this should be a list of column indices

        subsets : str or list, default=None
            Sets the subsets that the FeatureSetSeletor will select from if set as an option in one of the configuration dictionaries.
            - str : If a string, it is assumed to be a path to a csv file with the subsets.
                The first column is assumed to be the name of the subset and the remaining columns are the features in the subset.
            - list or np.ndarray : If a list or np.ndarray, it is assumed to be a list of subsets.
            - None : If None, each column will be treated as a subset. One column will be selected per subset.
            If subsets is None, each column will be treated as a subset. One column will be selected per subset.


        memory: Memory object or string, default=None
            If supplied, pipeline will cache each transformer after calling fit. This feature
            is used to avoid computing the fit transformers within a pipeline if the parameters
            and input data are identical with another fitted pipeline during optimization process.
            - String 'auto':
                TPOT uses memory caching with a temporary directory and cleans it up upon shutdown.
            - String path of a caching directory
                TPOT uses memory caching with the provided directory and TPOT does NOT clean
                the caching directory up upon shutdown. If the directory does not exist, TPOT will
                create it.
            - Memory object:
                TPOT uses the instance of joblib.Memory for memory caching,
                and TPOT does NOT clean the caching directory up upon shutdown.
            - None:
                TPOT does not use memory caching.

        preprocessing : bool or BaseEstimator/Pipeline,
            EXPERIMENTAL
            A pipeline that will be used to preprocess the data before CV.
            - bool : If True, will use a default preprocessing pipeline.
            - Pipeline : If an instance of a pipeline is given, will use that pipeline as the preprocessing pipeline.

        validation_strategy : str, default='none'
            EXPERIMENTAL The validation strategy to use for selecting the final pipeline from the population. TPOT2 may overfit the cross validation score. A second validation set can be used to select the final pipeline.
            - 'auto' : Automatically determine the validation strategy based on the dataset shape.
            - 'reshuffled' : Use the same data for cross validation and final validation, but with different splits for the folds. This is the default for small datasets.
            - 'split' : Use a separate validation set for final validation. Data will be split according to validation_fraction. This is the default for medium datasets.
            - 'none' : Do not use a separate validation set for final validation. Select based on the original cross-validation score. This is the default for large datasets.

        validation_fraction : float, default=0.2
          EXPERIMENTAL The fraction of the dataset to use for the validation set when validation_strategy is 'split'. Must be between 0 and 1.

        disable_label_encoder : bool, default=False
            If True, TPOT will check if the target needs to be relabeled to be sequential ints from 0 to N. This is necessary for XGBoost compatibility. If the labels need to be encoded, TPOT2 will use sklearn.preprocessing.LabelEncoder to encode the labels. The encoder can be accessed via the self.label_encoder_ attribute.
            If False, no additional label encoders will be used.

        population_size : int, default=50
            Size of the population

        initial_population_size : int, default=None
            Size of the initial population. If None, population_size will be used.

        population_scaling : int, default=0.5
            Scaling factor to use when determining how fast we move the threshold moves from the start to end percentile.

        generations_until_end_population : int, default=1
            Number of generations until the population size reaches population_size

        generations : int, default=50
            Number of generations to run

        early_stop : int, default=None
            Number of evaluated individuals without improvement before early stopping. Counted across all objectives independently. Triggered when all objectives have not improved by the given number of individuals.

        early_stop_seconds : float, default=None
            Number of seconds without improvement before early stopping. All objectives must not have improved for the given number of seconds for this to be triggered.

        scorers_early_stop_tol :
            -list of floats
                list of tolerances for each scorer. If the difference between the best score and the current score is less than the tolerance, the individual is considered to have converged
                If an index of the list is None, that item will not be used for early stopping
            -int
                If an int is given, it will be used as the tolerance for all objectives

        other_objectives_early_stop_tol :
            -list of floats
                list of tolerances for each of the other objective function. If the difference between the best score and the current score is less than the tolerance, the individual is considered to have converged
                If an index of the list is None, that item will not be used for early stopping
            -int
                If an int is given, it will be used as the tolerance for all objectives

        max_time_seconds : float, default=float("inf")
            Maximum time to run the optimization. If none or inf, will run until the end of the generations.

        max_eval_time_seconds : float, default=60*5
            Maximum time to evaluate a single individual. If none or inf, there will be no time limit per evaluation.

        n_jobs : int, default=1
            Number of processes to run in parallel.

        memory_limit : str, default="4GB"
            Memory limit for each job. See Dask [LocalCluster documentation](https://distributed.dask.org/en/stable/api.html#distributed.Client) for more information.

        client : dask.distributed.Client, default=None
            A dask client to use for parallelization. If not None, this will override the n_jobs and memory_limit parameters. If None, will create a new client with num_workers=n_jobs and memory_limit=memory_limit.

        crossover_probability : float, default=.2
            Probability of generating a new individual by crossover between two individuals.

        mutate_probability : float, default=.7
            Probability of generating a new individual by crossover between one individuals.

        mutate_then_crossover_probability : float, default=.05
            Probability of generating a new individual by mutating two individuals followed by crossover.

        crossover_then_mutate_probability : float, default=.05
            Probability of generating a new individual by crossover between two individuals followed by a mutation of the resulting individual.

        survival_selector : function, default=survival_select_NSGA2
            Function to use to select individuals for survival. Must take a matrix of scores and return selected indexes.
            Used to selected population_size individuals at the start of each generation to use for mutation and crossover.

        parent_selector : function, default=parent_select_NSGA2
            Function to use to select pairs parents for crossover and individuals for mutation. Must take a matrix of scores and return selected indexes.

        budget_range : list [start, end], default=None
            A starting and ending budget to use for the budget scaling.

        budget_scaling float : [0,1], default=0.5
            A scaling factor to use when determining how fast we move the budget from the start to end budget.

        individuals_until_end_budget : int, default=1
            The number of generations to run before reaching the max budget.

        stepwise_steps : int, default=1
            The number of staircase steps to take when scaling the budget and population size.

        threshold_evaluation_early_stop : list [start, end], default=None
            starting and ending percentile to use as a threshold for the evaluation early stopping.
            Values between 0 and 100.

        threshold_evaluation_scaling : float [0,inf), default=0.5
            A scaling factor to use when determining how fast we move the threshold moves from the start to end percentile.
            Must be greater than zero. Higher numbers will move the threshold to the end faster.

        min_history_threshold : int, default=0
            The minimum number of previous scores needed before using threshold early stopping.

        selection_evaluation_early_stop : list, default=None
            A lower and upper percent of the population size to select each round of CV.
            Values between 0 and 1.

        selection_evaluation_scaling : float, default=0.5
            A scaling factor to use when determining how fast we move the threshold moves from the start to end percentile.
            Must be greater than zero. Higher numbers will move the threshold to the end faster.

        n_initial_optimizations : int, default=0
            Number of individuals to optimize before starting the evolution.

        optimization_cv : int
           Number of folds to use for the optuna optimization's internal cross-validation.

        max_optimize_time_seconds : float, default=60*5
            Maximum time to run an optimization

        optimization_steps : int, default=10
            Number of steps per optimization

        warm_start : bool, default=False
            If True, will use the continue the evolutionary algorithm from the last generation of the previous run.

        subset_column : str or int, default=None
            EXPERIMENTAL The column to use for the subset selection. Must also pass in unique_subset_values to GraphIndividual to function.

        verbose : int, default=1
            How much information to print during the optimization process. Higher values include the information from lower values.
            0. nothing
            1. progress bar

            3. best individual
            4. warnings
            >=5. full warnings trace

        random_state : int, None, default=None
            A seed for reproducability of experiments. This value will be passed to numpy.random.default_rng() to create an instnce of the genrator to pass to other classes
            - int
                Will be used to create and lock in Generator instance with 'numpy.random.default_rng()'
            - None
                Will be used to create Generator for 'numpy.random.default_rng()' where a fresh, unpredictable entropy will be pulled from the OS


        periodic_checkpoint_folder : str, default=None
            Folder to save the population to periodically. If None, no periodic saving will be done.
            If provided, training will resume from this checkpoint.

        callback : tpot2.CallBackInterface, default=None
            Callback object. Not implemented

        processes : bool, default=True
            If True, will use multiprocessing to parallelize the optimization process. If False, will use threading.
            True seems to perform better. However, False is required for interactive debugging.

        Attributes
        ----------

        fitted_pipeline_ : GraphPipeline
            A fitted instance of the GraphPipeline that inherits from sklearn BaseEstimator. This is fitted on the full X, y passed to fit.

        evaluated_individuals : A pandas data frame containing data for all evaluated individuals in the run.
            Columns:
            - *objective functions : The first few columns correspond to the passed in scorers and objective functions
            - Parents : A tuple containing the indexes of the pipelines used to generate the pipeline of that row. If NaN, this pipeline was generated randomly in the initial population.
            - Variation_Function : Which variation function was used to mutate or crossover the parents. If NaN, this pipeline was generated randomly in the initial population.
            - Individual : The internal representation of the individual that is used during the evolutionary algorithm. This is not an sklearn BaseEstimator.
            - Generation : The generation the pipeline first appeared.
            - Pareto_Front	: The nondominated front that this pipeline belongs to. 0 means that its scores is not strictly dominated by any other individual.
                            To save on computational time, the best frontier is updated iteratively each generation.
                            The pipelines with the 0th pareto front do represent the exact best frontier. However, the pipelines with pareto front >= 1 are only in reference to the other pipelines in the final population.
                            All other pipelines are set to NaN.
            - Instance	: The unfitted GraphPipeline BaseEstimator.
            - *validation objective functions : Objective function scores evaluated on the validation set.
            - Validation_Pareto_Front : The full pareto front calculated on the validation set. This is calculated for all pipelines with Pareto_Front equal to 0. Unlike the Pareto_Front which only calculates the frontier and the final population, the Validation Pareto Front is calculated for all pipelines tested on the validation set.

        pareto_front : The same pandas dataframe as evaluated individuals, but containing only the frontier pareto front pipelines.
        '''

        # sklearn BaseEstimator must have a corresponding attribute for each parameter.
        # These should not be modified once set.

        self.scorers = scorers
        self.scorers_weights = scorers_weights
        self.classification = classification
        self.cv = cv
        self.other_objective_functions = other_objective_functions
        self.other_objective_functions_weights = other_objective_functions_weights
        self.objective_function_names = objective_function_names
        self.bigger_is_better = bigger_is_better
        self.max_size = max_size
        self.linear_pipeline = linear_pipeline
        self.root_config_dict= root_config_dict
        self.inner_config_dict= inner_config_dict
        self.leaf_config_dict= leaf_config_dict
        self.cross_val_predict_cv = cross_val_predict_cv
        self.categorical_features = categorical_features
        self.subsets = subsets
        self.memory = memory
        self.preprocessing = preprocessing
        self.validation_strategy = validation_strategy
        self.validation_fraction = validation_fraction
        self.disable_label_encoder = disable_label_encoder
        self.population_size = population_size
        self.initial_population_size = initial_population_size

        self.early_stop = early_stop
        self.early_stop_seconds = early_stop_seconds
        self.scorers_early_stop_tol = scorers_early_stop_tol
        self.other_objectives_early_stop_tol = other_objectives_early_stop_tol
        self.max_time_seconds = max_time_seconds
        self.max_eval_time_seconds = max_eval_time_seconds
        self.n_jobs= n_jobs
        self.memory_limit = memory_limit
        self.client = client

        self.crossover_probability = crossover_probability
        self.mutate_probability = mutate_probability
        self.mutate_then_crossover_probability= mutate_then_crossover_probability
        self.crossover_then_mutate_probability= crossover_then_mutate_probability
        self.survival_selector=survival_selector
        self.parent_selector=parent_selector
        self.budget_range = budget_range
        self.budget_scaling = budget_scaling
        self.individuals_until_end_budget = individuals_until_end_budget
        self.stepwise_steps = stepwise_steps

        self.warm_start = warm_start
        self.subset_column = subset_column

        self.verbose = verbose
        self.periodic_checkpoint_folder = periodic_checkpoint_folder
        self.callback = callback
        self.processes = processes


        self.scatter = scatter

        self.optuna_optimize_pareto_front = optuna_optimize_pareto_front
        self.optuna_optimize_pareto_front_trials = optuna_optimize_pareto_front_trials
        self.optuna_optimize_pareto_front_timeout = optuna_optimize_pareto_front_timeout
        self.optuna_storage = optuna_storage

        # create random number generator based on rng_seed
        self.rng = np.random.default_rng(random_state)
        # save random state passed to us for other functions that use random_state
        self.random_state = random_state
        # set the numpy seed so anything using it will be consistent as well
        np.random.seed(random_state)


        self.max_evaluated_individuals = max_evaluated_individuals

        #Initialize other used params


        if self.initial_population_size is None:
            self._initial_population_size = self.population_size
        else:
            self._initial_population_size = self.initial_population_size

        if isinstance(self.scorers, str):
            self._scorers = [self.scorers]

        elif callable(self.scorers):
            self._scorers = [self.scorers]
        else:
            self._scorers = self.scorers

        self._scorers = [sklearn.metrics.get_scorer(scoring) for scoring in self._scorers]
        self._scorers_early_stop_tol = self.scorers_early_stop_tol

        self._evolver = tpot2.evolvers.SteadyStateEvolver



        self.objective_function_weights = [*scorers_weights, *other_objective_functions_weights]


        if self.objective_function_names is None:
            obj_names = [f.__name__ for f in other_objective_functions]
        else:
            obj_names = self.objective_function_names
        self.objective_names = [f._score_func.__name__ if hasattr(f,"_score_func") else f.__name__ for f in self._scorers] + obj_names


        if not isinstance(self.other_objectives_early_stop_tol, list):
            self._other_objectives_early_stop_tol = [self.other_objectives_early_stop_tol for _ in range(len(self.other_objective_functions))]
        else:
            self._other_objectives_early_stop_tol = self.other_objectives_early_stop_tol

        if not isinstance(self._scorers_early_stop_tol, list):
            self._scorers_early_stop_tol = [self._scorers_early_stop_tol for _ in range(len(self._scorers))]
        else:
            self._scorers_early_stop_tol = self._scorers_early_stop_tol

        self.early_stop_tol = [*self._scorers_early_stop_tol, *self._other_objectives_early_stop_tol]

        self._evolver_instance = None
        self.evaluated_individuals = None

        self.label_encoder_ = None

        set_dask_settings()


    def fit(self, X, y):
        if self.client is not None: #If user passed in a client manually
           _client = self.client
        else:

            if self.verbose >= 4:
                silence_logs = 30
            elif self.verbose >=5:
                silence_logs = 40
            else:
                silence_logs = 50
            cluster = LocalCluster(n_workers=self.n_jobs, #if no client is passed in and no global client exists, create our own
                    threads_per_worker=1,
                    processes=self.processes,
                    silence_logs=silence_logs,
                    memory_limit=self.memory_limit)
            _client = Client(cluster)


        if self.classification and not self.disable_label_encoder and not check_if_y_is_encoded(y):
            warnings.warn("Labels are not encoded as ints from 0 to N. For compatibility with some classifiers such as sklearn, TPOT has encoded y with the sklearn LabelEncoder. When using pipelines outside the main TPOT estimator class, you can encode the labels with est.label_encoder_")
            self.label_encoder_ = LabelEncoder()
            y = self.label_encoder_.fit_transform(y)

        self.evaluated_individuals = None
        #determine validation strategy
        if self.validation_strategy == 'auto':
            nrows = X.shape[0]
            ncols = X.shape[1]

            if nrows/ncols < 20:
                validation_strategy = 'reshuffled'
            elif nrows/ncols < 100:
                validation_strategy = 'split'
            else:
                validation_strategy = 'none'
        else:
            validation_strategy = self.validation_strategy

        if validation_strategy == 'split':
            if self.classification:
                X, X_val, y, y_val = train_test_split(X, y, test_size=self.validation_fraction, stratify=y, random_state=self.random_state)
            else:
                X, X_val, y, y_val = train_test_split(X, y, test_size=self.validation_fraction, random_state=self.random_state)


        X_original = X
        y_original = y
        if isinstance(self.cv, int) or isinstance(self.cv, float):
            n_folds = self.cv
        else:
            n_folds = self.cv.get_n_splits(X, y)

        if self.classification:
            X, y = remove_underrepresented_classes(X, y, n_folds)

        if self.preprocessing:
            #X = pd.DataFrame(X)

            if not isinstance(self.preprocessing, bool) and isinstance(self.preprocessing, sklearn.base.BaseEstimator):
                self._preprocessing_pipeline = self.preprocessing

            #TODO: check if there are missing values in X before imputation. If not, don't include imputation in pipeline. Check if there are categorical columns. If not, don't include one hot encoding in pipeline
            else: #if self.preprocessing is True or not a sklearn estimator

                pipeline_steps = []

                if self.categorical_features is not None: #if categorical features are specified, use those
                    pipeline_steps.append(("impute_categorical", tpot2.builtin_modules.ColumnSimpleImputer(self.categorical_features, strategy='most_frequent')))
                    pipeline_steps.append(("impute_numeric", tpot2.builtin_modules.ColumnSimpleImputer("numeric", strategy='mean')))
                    pipeline_steps.append(("impute_categorical", tpot2.builtin_modules.ColumnOneHotEncoder(self.categorical_features, strategy='most_frequent')))

                else:
                    if isinstance(X, pd.DataFrame):
                        categorical_columns = X.select_dtypes(include=['object']).columns
                        if len(categorical_columns) > 0:
                            pipeline_steps.append(("impute_categorical", tpot2.builtin_modules.ColumnSimpleImputer("categorical", strategy='most_frequent')))
                            pipeline_steps.append(("impute_numeric", tpot2.builtin_modules.ColumnSimpleImputer("numeric", strategy='mean')))
                            pipeline_steps.append(("impute_categorical", tpot2.builtin_modules.ColumnOneHotEncoder("categorical", strategy='most_frequent')))
                        else:
                            pipeline_steps.append(("impute_numeric", tpot2.builtin_modules.ColumnSimpleImputer("all", strategy='mean')))
                    else:
                        pipeline_steps.append(("impute_numeric", tpot2.builtin_modules.ColumnSimpleImputer("all", strategy='mean')))

                self._preprocessing_pipeline = sklearn.pipeline.Pipeline(pipeline_steps)

            X = self._preprocessing_pipeline.fit_transform(X, y)

        else:
            self._preprocessing_pipeline = None

        #_, y = sklearn.utils.check_X_y(X, y, y_numeric=True)

        #Set up the configuation dictionaries and the search spaces

        #check if self.cv is a number
        if isinstance(self.cv, int) or isinstance(self.cv, float):
            if self.classification:
                self.cv_gen = sklearn.model_selection.StratifiedKFold(n_splits=self.cv, shuffle=True, random_state=self.random_state)
            else:
                self.cv_gen = sklearn.model_selection.KFold(n_splits=self.cv, shuffle=True, random_state=self.random_state)

        else:
            self.cv_gen = sklearn.model_selection.check_cv(self.cv, y, classifier=self.classification)


        n_samples= int(math.floor(X.shape[0]/n_folds))
        n_features=X.shape[1]

        if isinstance(X, pd.DataFrame):
            self.feature_names = X.columns
        else:
            self.feature_names = None

        if self.root_config_dict == 'Auto':
            if self.classification:
                n_classes = len(np.unique(y))
                root_config_dict = get_configuration_dictionary("classifiers", n_samples, n_features, self.classification, self.random_state, self.cv_gen, subsets=self.subsets, feature_names=self.feature_names, n_classes=n_classes)
            else:
                root_config_dict = get_configuration_dictionary("regressors", n_samples, n_features, self.classification, self.random_state, self.cv_gen, subsets=self.subsets, feature_names=self.feature_names)
        else:
            root_config_dict = get_configuration_dictionary(self.root_config_dict, n_samples, n_features, self.classification, self.random_state, self.cv_gen, subsets=self.subsets,feature_names=self.feature_names)

        inner_config_dict = get_configuration_dictionary(self.inner_config_dict, n_samples, n_features, self.classification, self.random_state, self.cv_gen, subsets=self.subsets, feature_names=self.feature_names)
        leaf_config_dict = get_configuration_dictionary(self.leaf_config_dict, n_samples, n_features, self.classification, self.random_state, self.cv_gen, subsets=self.subsets, feature_names=self.feature_names)



        def objective_function(pipeline_individual,
                                            X,
                                            y,
                                            is_classification=self.classification,
                                            scorers= self._scorers,
                                            cv=self.cv_gen,
                                            other_objective_functions=self.other_objective_functions,
                                            memory=self.memory,
                                            cross_val_predict_cv=self.cross_val_predict_cv,
                                            subset_column=self.subset_column,
                                            **kwargs):
            return objective_function_generator(
                pipeline_individual,
                X,
                y,
                is_classification=is_classification,
                scorers= scorers,
                cv=cv,
                other_objective_functions=other_objective_functions,
                memory=memory,
                cross_val_predict_cv=cross_val_predict_cv,
                subset_column=subset_column,
                **kwargs,
            )

        self.individual_generator_instance = tpot2.individual_representations.graph_pipeline_individual.estimator_graph_individual_generator(
                                                            inner_config_dict=inner_config_dict,
                                                            root_config_dict=root_config_dict,
                                                            leaf_config_dict=leaf_config_dict,
                                                            max_size = self.max_size,
                                                            linear_pipeline=self.linear_pipeline,
                                                                )



        if self.scatter:
            X_future = _client.scatter(X)
            y_future = _client.scatter(y)
        else:
            X_future = X
            y_future = y

        #If warm start and we have an evolver instance, use the existing one
        if not(self.warm_start and self._evolver_instance is not None):
            self._evolver_instance = self._evolver(   individual_generator=self.individual_generator_instance,
                                            objective_functions= [objective_function],
                                            objective_function_weights = self.objective_function_weights,
                                            objective_names=self.objective_names,
                                            bigger_is_better = self.bigger_is_better,
                                            population_size= self.population_size,

                                            initial_population_size = self._initial_population_size,
                                            n_jobs=self.n_jobs,
                                            verbose = self.verbose,
                                            max_time_seconds =      self.max_time_seconds ,
                                            max_eval_time_seconds = self.max_eval_time_seconds,



                                            periodic_checkpoint_folder = self.periodic_checkpoint_folder,


                                            early_stop_tol = self.early_stop_tol,
                                            early_stop= self.early_stop,
                                            early_stop_seconds =  self.early_stop_seconds,

                                            budget_range = self.budget_range,
                                            budget_scaling = self.budget_scaling,
                                            individuals_until_end_budget = self.individuals_until_end_budget,


                                            stepwise_steps = self.stepwise_steps,
                                            client = _client,
                                            objective_kwargs = {"X": X_future, "y": y_future},
                                            survival_selector=self.survival_selector,
                                            parent_selector=self.parent_selector,

                                            crossover_probability = self.crossover_probability,
                                            mutate_probability = self.mutate_probability,
                                            mutate_then_crossover_probability= self.mutate_then_crossover_probability,
                                            crossover_then_mutate_probability= self.crossover_then_mutate_probability,


                                            max_evaluated_individuals = self.max_evaluated_individuals,

                                            rng_=self.rng,
                                            )


        self._evolver_instance.optimize()
        #self._evolver_instance.population.update_pareto_fronts(self.objective_names, self.objective_function_weights)
        self.make_evaluated_individuals()


        if self.optuna_optimize_pareto_front:
            pareto_front_inds = self.pareto_front['Individual'].values
            all_graphs, all_scores = tpot2.individual_representations.graph_pipeline_individual.simple_parallel_optuna(pareto_front_inds,  objective_function, self.objective_function_weights, _client, storage=self.optuna_storage, steps=self.optuna_optimize_pareto_front_trials, verbose=self.verbose, max_eval_time_seconds=self.max_eval_time_seconds, max_time_seconds=self.optuna_optimize_pareto_front_timeout, **{"X": X, "y": y})
            all_scores = tpot2.utils.eval_utils.process_scores(all_scores, len(self.objective_function_weights))

            if len(all_graphs) > 0:
                df = pd.DataFrame(np.column_stack((all_graphs, all_scores,np.repeat("Optuna",len(all_graphs)))), columns=["Individual"] + self.objective_names +["Parents"])
                for obj in self.objective_names:
                    df[obj] = df[obj].apply(convert_to_float)

                self.evaluated_individuals = pd.concat([self.evaluated_individuals, df], ignore_index=True)
            else:
                print("WARNING NO OPTUNA TRIALS COMPLETED")

        tpot2.utils.get_pareto_frontier(self.evaluated_individuals, column_names=self.objective_names, weights=self.objective_function_weights, invalid_values=["TIMEOUT","INVALID"])

        if validation_strategy == 'reshuffled':
            best_pareto_front_idx = list(self.pareto_front.index)
            best_pareto_front = list(self.pareto_front.loc[best_pareto_front_idx]['Individual'])

            #reshuffle rows
            X, y = sklearn.utils.shuffle(X, y, random_state=self.random_state)

            if self.scatter:
                X_future = _client.scatter(X)
                y_future = _client.scatter(y)
            else:
                X_future = X
                y_future = y

            val_objective_function_list = [lambda   ind,
                                                    X,
                                                    y,
                                                    is_classification=self.classification,
                                                    scorers= self._scorers,
                                                    cv=self.cv_gen,
                                                    other_objective_functions=self.other_objective_functions,
                                                    memory=self.memory,
                                                    cross_val_predict_cv=self.cross_val_predict_cv,
                                                    subset_column=self.subset_column,
                                                    **kwargs: objective_function_generator(
                                                                                                ind,
                                                                                                X,
                                                                                                y,
                                                                                                is_classification=is_classification,
                                                                                                scorers= scorers,
                                                                                                cv=cv,
                                                                                                other_objective_functions=other_objective_functions,
                                                                                                memory=memory,
                                                                                                cross_val_predict_cv=cross_val_predict_cv,
                                                                                                subset_column=subset_column,
                                                                                                **kwargs,
                                                                                                )]

            objective_kwargs = {"X": X_future, "y": y_future}
            val_scores = tpot2.utils.eval_utils.parallel_eval_objective_list(
                best_pareto_front,
                val_objective_function_list, n_jobs=self.n_jobs, verbose=self.verbose, timeout=self.max_eval_time_seconds,n_expected_columns=len(self.objective_names), client=_client, **objective_kwargs)

            val_objective_names = ['validation_'+name for name in self.objective_names]
            self.objective_names_for_selection = val_objective_names
            self.evaluated_individuals.loc[best_pareto_front_idx,val_objective_names] = val_scores

            self.evaluated_individuals["Validation_Pareto_Front"] = tpot2.utils.get_pareto_front(self.evaluated_individuals, val_objective_names, self.objective_function_weights, invalid_values=["TIMEOUT","INVALID"])

        elif validation_strategy == 'split':


            if self.scatter:
                X_future = _client.scatter(X)
                y_future = _client.scatter(y)
                X_val_future = _client.scatter(X_val)
                y_val_future = _client.scatter(y_val)
            else:
                X_future = X
                y_future = y
                X_val_future = X_val
                y_val_future = y_val

            objective_kwargs = {"X": X_future, "y": y_future, "X_val" : X_val_future, "y_val":y_val_future }

            best_pareto_front_idx = list(self.pareto_front.index)
            best_pareto_front = list(self.pareto_front.loc[best_pareto_front_idx]['Individual'])
            val_objective_function_list = [lambda   ind,
                                                    X,
                                                    y,
                                                    X_val,
                                                    y_val,
                                                    scorers= self._scorers,
                                                    other_objective_functions=self.other_objective_functions,
                                                    memory=self.memory,
                                                    cross_val_predict_cv=self.cross_val_predict_cv,
                                                    subset_column=self.subset_column,
                                                    **kwargs: val_objective_function_generator(
                                                        ind,
                                                        X,
                                                        y,
                                                        X_val,
                                                        y_val,
                                                        scorers= scorers,
                                                        other_objective_functions=other_objective_functions,
                                                        memory=memory,
                                                        cross_val_predict_cv=cross_val_predict_cv,
                                                        subset_column=subset_column,
                                                        **kwargs,
                                                        )]

            val_scores = tpot2.utils.eval_utils.parallel_eval_objective_list(
                best_pareto_front,
                val_objective_function_list, n_jobs=self.n_jobs, verbose=self.verbose, timeout=self.max_eval_time_seconds,n_expected_columns=len(self.objective_names),client=_client, **objective_kwargs)

            val_objective_names = ['validation_'+name for name in self.objective_names]
            self.objective_names_for_selection = val_objective_names
            self.evaluated_individuals.loc[best_pareto_front_idx,val_objective_names] = val_scores
            self.evaluated_individuals["Validation_Pareto_Front"] = tpot2.utils.get_pareto_front(self.evaluated_individuals, val_objective_names, self.objective_function_weights, invalid_values=["TIMEOUT","INVALID"])
        else:
            self.objective_names_for_selection = self.objective_names

        val_scores = self.evaluated_individuals[~self.evaluated_individuals[self.objective_names_for_selection].isin(["TIMEOUT","INVALID"]).any(axis=1)][self.objective_names_for_selection].astype(float)
        weighted_scores = val_scores*self.objective_function_weights

        if self.bigger_is_better:
            best_idx = weighted_scores[self.objective_names_for_selection[0]].idxmax()
        else:
            best_idx = weighted_scores[self.objective_names_for_selection[0]].idxmin()

        best_individual = self.evaluated_individuals.loc[best_idx]['Individual']
        self.selected_best_score =  self.evaluated_individuals.loc[best_idx]


        best_individual_pipeline = best_individual.export_pipeline(memory=self.memory, cross_val_predict_cv=self.cross_val_predict_cv, subset_column=self.subset_column)

        if self.preprocessing:
            self.fitted_pipeline_ = sklearn.pipeline.make_pipeline(sklearn.base.clone(self._preprocessing_pipeline), best_individual_pipeline )
        else:
            self.fitted_pipeline_ = best_individual_pipeline

        self.fitted_pipeline_.fit(X_original,y_original) #TODO use y_original as well?


        if self.client is None: #no client was passed in
            #close cluster and client
            _client.close()
            cluster.close()

        return self

    def _estimator_has(attr):
        '''Check if we can delegate a method to the underlying estimator.
        First, we check the first fitted final estimator if available, otherwise we
        check the unfitted final estimator.
        '''
        return  lambda self: (self.fitted_pipeline_ is not None and
            hasattr(self.fitted_pipeline_, attr)
        )






    @available_if(_estimator_has('predict'))
    def predict(self, X, **predict_params):
        check_is_fitted(self)
        #X = check_array(X)
        preds = self.fitted_pipeline_.predict(X,**predict_params)
        if self.classification and self.label_encoder_:
            preds = self.label_encoder_.inverse_transform(preds)

        return preds

    @available_if(_estimator_has('predict_proba'))
    def predict_proba(self, X, **predict_params):
        check_is_fitted(self)
        #X = check_array(X)
        return self.fitted_pipeline_.predict_proba(X,**predict_params)

    @available_if(_estimator_has('decision_function'))
    def decision_function(self, X, **predict_params):
        check_is_fitted(self)
        #X = check_array(X)
        return self.fitted_pipeline_.decision_function(X,**predict_params)

    @available_if(_estimator_has('transform'))
    def transform(self, X, **predict_params):
        check_is_fitted(self)
        #X = check_array(X)
        return self.fitted_pipeline_.transform(X,**predict_params)

    @property
    def classes_(self):
        """The classes labels. Only exist if the last step is a classifier."""

        if self.label_encoder_:
            return self.label_encoder_.classes_
        else:
            return self.fitted_pipeline_.classes_

    @property
    def _estimator_type(self):
        return self.fitted_pipeline_._estimator_type

    def make_evaluated_individuals(self):
        #check if _evolver_instance exists
        if self.evaluated_individuals is None:
            self.evaluated_individuals  =  self._evolver_instance.population.evaluated_individuals.copy()
            objects = list(self.evaluated_individuals.index)
            object_to_int = dict(zip(objects, range(len(objects))))
            self.evaluated_individuals = self.evaluated_individuals.set_index(self.evaluated_individuals.index.map(object_to_int))
            self.evaluated_individuals['Parents'] = self.evaluated_individuals['Parents'].apply(lambda row: convert_parents_tuples_to_integers(row, object_to_int))

            self.evaluated_individuals["Instance"] = self.evaluated_individuals["Individual"].apply(lambda ind: apply_make_pipeline(ind, preprocessing_pipeline=self._preprocessing_pipeline))

        return self.evaluated_individuals

    @property
    def pareto_front(self):
        #check if _evolver_instance exists
        if self.evaluated_individuals is None:
            return None
        else:
            if "Pareto_Front" not in self.evaluated_individuals:
                return self.evaluated_individuals
            else:
                return self.evaluated_individuals[self.evaluated_individuals["Pareto_Front"]==1]

classes_ property

The classes labels. Only exist if the last step is a classifier.

__init__(scorers=[], scorers_weights=[], classification=False, cv=5, other_objective_functions=[], other_objective_functions_weights=[], objective_function_names=None, bigger_is_better=True, max_size=np.inf, linear_pipeline=False, root_config_dict='Auto', inner_config_dict=['selectors', 'transformers'], leaf_config_dict=None, cross_val_predict_cv=0, categorical_features=None, subsets=None, memory=None, preprocessing=False, validation_strategy='none', validation_fraction=0.2, disable_label_encoder=False, initial_population_size=50, population_size=50, max_evaluated_individuals=None, early_stop=None, early_stop_seconds=None, scorers_early_stop_tol=0.001, other_objectives_early_stop_tol=None, max_time_seconds=None, max_eval_time_seconds=60 * 10, n_jobs=1, memory_limit='4GB', client=None, crossover_probability=0.2, mutate_probability=0.7, mutate_then_crossover_probability=0.05, crossover_then_mutate_probability=0.05, survival_selector=survival_select_NSGA2, parent_selector=tournament_selection_dominated, budget_range=None, budget_scaling=0.5, individuals_until_end_budget=1, stepwise_steps=5, warm_start=False, subset_column=None, verbose=0, periodic_checkpoint_folder=None, callback=None, processes=True, scatter=True, random_state=None, optuna_optimize_pareto_front=False, optuna_optimize_pareto_front_trials=100, optuna_optimize_pareto_front_timeout=60 * 10, optuna_storage='sqlite:///optuna.db')

An sklearn baseestimator that uses genetic programming to optimize a pipeline.

Parameters:

Name	Type	Description	Default
scorers	(list, scorer)	A scorer or list of scorers to be used in the cross-validation process. see https://scikit-learn.org/stable/modules/model_evaluation.html	[]
scorers_weights	list	A list of weights to be applied to the scorers during the optimization process.	[]
classification	bool	If True, the problem is treated as a classification problem. If False, the problem is treated as a regression problem. Used to determine the CV strategy.	False
cv	(int, cross - validator)	(int): Number of folds to use in the cross-validation process. By uses the sklearn.model_selection.KFold cross-validator for regression and StratifiedKFold for classification. In both cases, shuffled is set to True. (sklearn.model_selection.BaseCrossValidator): A cross-validator to use in the cross-validation process.	5
other_objective_functions	list	A list of other objective functions to apply to the pipeline. The function takes a single parameter for the graphpipeline estimator and returns either a single score or a list of scores.	[]
other_objective_functions_weights	list	A list of weights to be applied to the other objective functions.	[]
objective_function_names	list	A list of names to be applied to the objective functions. If None, will use the names of the objective functions.	None
bigger_is_better	bool	If True, the objective function is maximized. If False, the objective function is minimized. Use negative weights to reverse the direction.	True
max_size	int	The maximum number of nodes of the pipelines to be generated.	np.inf
linear_pipeline	bool	If True, the pipelines generated will be linear. If False, the pipelines generated will be directed acyclic graphs.	False
root_config_dict	dict	The configuration dictionary to use for the root node of the model. If 'auto', will use "classifiers" if classification=True, else "regressors". - 'selectors' : A selection of sklearn Selector methods. - 'classifiers' : A selection of sklearn Classifier methods. - 'regressors' : A selection of sklearn Regressor methods. - 'transformers' : A selection of sklearn Transformer methods. - 'arithmetic_transformer' : A selection of sklearn Arithmetic Transformer methods that replicate symbolic classification/regression operators. - 'passthrough' : A node that just passes though the input. Useful for passing through raw inputs into inner nodes. - 'feature_set_selector' : A selector that pulls out specific subsets of columns from the data. Only well defined as a leaf. Subsets are set with the subsets parameter. - 'skrebate' : Includes ReliefF, SURF, SURFstar, MultiSURF. - 'MDR' : Includes MDR. - 'ContinuousMDR' : Includes ContinuousMDR. - 'genetic encoders' : Includes Genetic Encoder methods as used in AutoQTL. - 'FeatureEncodingFrequencySelector': Includes FeatureEncodingFrequencySelector method as used in AutoQTL. - list : a list of strings out of the above options to include the corresponding methods in the configuration dictionary.	'auto'
inner_config_dict	dict	The configuration dictionary to use for the inner nodes of the model generation. Default ["selectors", "transformers"] - 'selectors' : A selection of sklearn Selector methods. - 'classifiers' : A selection of sklearn Classifier methods. - 'regressors' : A selection of sklearn Regressor methods. - 'transformers' : A selection of sklearn Transformer methods. - 'arithmetic_transformer' : A selection of sklearn Arithmetic Transformer methods that replicate symbolic classification/regression operators. - 'passthrough' : A node that just passes though the input. Useful for passing through raw inputs into inner nodes. - 'feature_set_selector' : A selector that pulls out specific subsets of columns from the data. Only well defined as a leaf. Subsets are set with the subsets parameter. - 'skrebate' : Includes ReliefF, SURF, SURFstar, MultiSURF. - 'MDR' : Includes MDR. - 'ContinuousMDR' : Includes ContinuousMDR. - 'genetic encoders' : Includes Genetic Encoder methods as used in AutoQTL. - 'FeatureEncodingFrequencySelector': Includes FeatureEncodingFrequencySelector method as used in AutoQTL. - list : a list of strings out of the above options to include the corresponding methods in the configuration dictionary. - None : If None and max_depth>1, the root_config_dict will be used for the inner nodes as well.	["selectors", "transformers"]
leaf_config_dict	dict	The configuration dictionary to use for the leaf node of the model. If set, leaf nodes must be from this dictionary. Otherwise leaf nodes will be generated from the root_config_dict. Default None - 'selectors' : A selection of sklearn Selector methods. - 'classifiers' : A selection of sklearn Classifier methods. - 'regressors' : A selection of sklearn Regressor methods. - 'transformers' : A selection of sklearn Transformer methods. - 'arithmetic_transformer' : A selection of sklearn Arithmetic Transformer methods that replicate symbolic classification/regression operators. - 'passthrough' : A node that just passes though the input. Useful for passing through raw inputs into inner nodes. - 'feature_set_selector' : A selector that pulls out specific subsets of columns from the data. Only well defined as a leaf. Subsets are set with the subsets parameter. - 'skrebate' : Includes ReliefF, SURF, SURFstar, MultiSURF. - 'MDR' : Includes MDR. - 'ContinuousMDR' : Includes ContinuousMDR. - 'genetic encoders' : Includes Genetic Encoder methods as used in AutoQTL. - 'FeatureEncodingFrequencySelector': Includes FeatureEncodingFrequencySelector method as used in AutoQTL. - list : a list of strings out of the above options to include the corresponding methods in the configuration dictionary. - None : If None, a leaf will not be required (i.e. the pipeline can be a single root node). Leaf nodes will be generated from the inner_config_dict.	None
cross_val_predict_cv	int	Number of folds to use for the cross_val_predict function for inner classifiers and regressors. Estimators will still be fit on the full dataset, but the following node will get the outputs from cross_val_predict. 0-1 : When set to 0 or 1, the cross_val_predict function will not be used. The next layer will get the outputs from fitting and transforming the full dataset. =2 : When fitting pipelines with inner classifiers or regressors, they will still be fit on the full dataset. However, the output to the next node will come from cross_val_predict with the specified number of folds.	0
categorical_features		Categorical columns to inpute and/or one hot encode during the preprocessing step. Used only if preprocessing is not False. - None : If None, TPOT2 will automatically use object columns in pandas dataframes as objects for one hot encoding in preprocessing. - List of categorical features. If X is a dataframe, this should be a list of column names. If X is a numpy array, this should be a list of column indices	None
subsets	str or list	Sets the subsets that the FeatureSetSeletor will select from if set as an option in one of the configuration dictionaries. - str : If a string, it is assumed to be a path to a csv file with the subsets. The first column is assumed to be the name of the subset and the remaining columns are the features in the subset. - list or np.ndarray : If a list or np.ndarray, it is assumed to be a list of subsets. - None : If None, each column will be treated as a subset. One column will be selected per subset. If subsets is None, each column will be treated as a subset. One column will be selected per subset.	None
memory		If supplied, pipeline will cache each transformer after calling fit. This feature is used to avoid computing the fit transformers within a pipeline if the parameters and input data are identical with another fitted pipeline during optimization process. - String 'auto': TPOT uses memory caching with a temporary directory and cleans it up upon shutdown. - String path of a caching directory TPOT uses memory caching with the provided directory and TPOT does NOT clean the caching directory up upon shutdown. If the directory does not exist, TPOT will create it. - Memory object: TPOT uses the instance of joblib.Memory for memory caching, and TPOT does NOT clean the caching directory up upon shutdown. - None: TPOT does not use memory caching.	None
preprocessing	(bool or BaseEstimator / Pipeline)	EXPERIMENTAL A pipeline that will be used to preprocess the data before CV. - bool : If True, will use a default preprocessing pipeline. - Pipeline : If an instance of a pipeline is given, will use that pipeline as the preprocessing pipeline.	False
validation_strategy	str	EXPERIMENTAL The validation strategy to use for selecting the final pipeline from the population. TPOT2 may overfit the cross validation score. A second validation set can be used to select the final pipeline. - 'auto' : Automatically determine the validation strategy based on the dataset shape. - 'reshuffled' : Use the same data for cross validation and final validation, but with different splits for the folds. This is the default for small datasets. - 'split' : Use a separate validation set for final validation. Data will be split according to validation_fraction. This is the default for medium datasets. - 'none' : Do not use a separate validation set for final validation. Select based on the original cross-validation score. This is the default for large datasets.	'none'
validation_fraction	float	EXPERIMENTAL The fraction of the dataset to use for the validation set when validation_strategy is 'split'. Must be between 0 and 1.	0.2
disable_label_encoder	bool	If True, TPOT will check if the target needs to be relabeled to be sequential ints from 0 to N. This is necessary for XGBoost compatibility. If the labels need to be encoded, TPOT2 will use sklearn.preprocessing.LabelEncoder to encode the labels. The encoder can be accessed via the self.label_encoder_ attribute. If False, no additional label encoders will be used.	False
population_size	int	Size of the population	50
initial_population_size	int	Size of the initial population. If None, population_size will be used.	None
population_scaling	int	Scaling factor to use when determining how fast we move the threshold moves from the start to end percentile.	0.5
generations_until_end_population	int	Number of generations until the population size reaches population_size	1
generations	int	Number of generations to run	50
early_stop	int	Number of evaluated individuals without improvement before early stopping. Counted across all objectives independently. Triggered when all objectives have not improved by the given number of individuals.	None
early_stop_seconds	float	Number of seconds without improvement before early stopping. All objectives must not have improved for the given number of seconds for this to be triggered.	None
scorers_early_stop_tol		-list of floats list of tolerances for each scorer. If the difference between the best score and the current score is less than the tolerance, the individual is considered to have converged If an index of the list is None, that item will not be used for early stopping -int If an int is given, it will be used as the tolerance for all objectives	0.001
other_objectives_early_stop_tol		-list of floats list of tolerances for each of the other objective function. If the difference between the best score and the current score is less than the tolerance, the individual is considered to have converged If an index of the list is None, that item will not be used for early stopping -int If an int is given, it will be used as the tolerance for all objectives	None
max_time_seconds	float	Maximum time to run the optimization. If none or inf, will run until the end of the generations.	float("inf")
max_eval_time_seconds	float	Maximum time to evaluate a single individual. If none or inf, there will be no time limit per evaluation.	60*5
n_jobs	int	Number of processes to run in parallel.	1
memory_limit	str	Memory limit for each job. See Dask LocalCluster documentation for more information.	"4GB"
client	Client	A dask client to use for parallelization. If not None, this will override the n_jobs and memory_limit parameters. If None, will create a new client with num_workers=n_jobs and memory_limit=memory_limit.	None
crossover_probability	float	Probability of generating a new individual by crossover between two individuals.	.2
mutate_probability	float	Probability of generating a new individual by crossover between one individuals.	.7
mutate_then_crossover_probability	float	Probability of generating a new individual by mutating two individuals followed by crossover.	.05
crossover_then_mutate_probability	float	Probability of generating a new individual by crossover between two individuals followed by a mutation of the resulting individual.	.05
survival_selector	function	Function to use to select individuals for survival. Must take a matrix of scores and return selected indexes. Used to selected population_size individuals at the start of each generation to use for mutation and crossover.	survival_select_NSGA2
parent_selector	function	Function to use to select pairs parents for crossover and individuals for mutation. Must take a matrix of scores and return selected indexes.	parent_select_NSGA2
budget_range	list[start, end]	A starting and ending budget to use for the budget scaling.	None
budget_scaling		A scaling factor to use when determining how fast we move the budget from the start to end budget.	0.5
individuals_until_end_budget	int	The number of generations to run before reaching the max budget.	1
stepwise_steps	int	The number of staircase steps to take when scaling the budget and population size.	1
threshold_evaluation_early_stop	list[start, end]	starting and ending percentile to use as a threshold for the evaluation early stopping. Values between 0 and 100.	None
threshold_evaluation_scaling	float [0,inf)	A scaling factor to use when determining how fast we move the threshold moves from the start to end percentile. Must be greater than zero. Higher numbers will move the threshold to the end faster.	0.5
min_history_threshold	int	The minimum number of previous scores needed before using threshold early stopping.	0
selection_evaluation_early_stop	list	A lower and upper percent of the population size to select each round of CV. Values between 0 and 1.	None
selection_evaluation_scaling	float	A scaling factor to use when determining how fast we move the threshold moves from the start to end percentile. Must be greater than zero. Higher numbers will move the threshold to the end faster.	0.5
n_initial_optimizations	int	Number of individuals to optimize before starting the evolution.	0
optimization_cv	int	Number of folds to use for the optuna optimization's internal cross-validation.	required
max_optimize_time_seconds	float	Maximum time to run an optimization	60*5
optimization_steps	int	Number of steps per optimization	10
warm_start	bool	If True, will use the continue the evolutionary algorithm from the last generation of the previous run.	False
subset_column	str or int	EXPERIMENTAL The column to use for the subset selection. Must also pass in unique_subset_values to GraphIndividual to function.	None
verbose	int	How much information to print during the optimization process. Higher values include the information from lower values. 0. nothing 1. progress bar best individual warnings =5. full warnings trace	1
random_state	(int, None)	A seed for reproducability of experiments. This value will be passed to numpy.random.default_rng() to create an instnce of the genrator to pass to other classes - int Will be used to create and lock in Generator instance with 'numpy.random.default_rng()' - None Will be used to create Generator for 'numpy.random.default_rng()' where a fresh, unpredictable entropy will be pulled from the OS	None
periodic_checkpoint_folder	str	Folder to save the population to periodically. If None, no periodic saving will be done. If provided, training will resume from this checkpoint.	None
callback	CallBackInterface	Callback object. Not implemented	None
processes	bool	If True, will use multiprocessing to parallelize the optimization process. If False, will use threading. True seems to perform better. However, False is required for interactive debugging.	True

Attributes:

Name	Type	Description
fitted_pipeline_	GraphPipeline	A fitted instance of the GraphPipeline that inherits from sklearn BaseEstimator. This is fitted on the full X, y passed to fit.
evaluated_individuals	A pandas data frame containing data for all evaluated individuals in the run.	Columns: - objective functions : The first few columns correspond to the passed in scorers and objective functions - Parents : A tuple containing the indexes of the pipelines used to generate the pipeline of that row. If NaN, this pipeline was generated randomly in the initial population. - Variation_Function : Which variation function was used to mutate or crossover the parents. If NaN, this pipeline was generated randomly in the initial population. - Individual : The internal representation of the individual that is used during the evolutionary algorithm. This is not an sklearn BaseEstimator. - Generation : The generation the pipeline first appeared. - Pareto_Front : The nondominated front that this pipeline belongs to. 0 means that its scores is not strictly dominated by any other individual. To save on computational time, the best frontier is updated iteratively each generation. The pipelines with the 0th pareto front do represent the exact best frontier. However, the pipelines with pareto front >= 1 are only in reference to the other pipelines in the final population. All other pipelines are set to NaN. - Instance : The unfitted GraphPipeline BaseEstimator. - validation objective functions : Objective function scores evaluated on the validation set. - Validation_Pareto_Front : The full pareto front calculated on the validation set. This is calculated for all pipelines with Pareto_Front equal to 0. Unlike the Pareto_Front which only calculates the frontier and the final population, the Validation Pareto Front is calculated for all pipelines tested on the validation set.
pareto_front	The same pandas dataframe as evaluated individuals, but containing only the frontier pareto front pipelines.

Source code in tpot2/tpot_estimator/steady_state_estimator.py

def __init__(self,  scorers= [],
                    scorers_weights = [],
                    classification = False,
                    cv = 5,
                    other_objective_functions=[], #tpot2.objectives.estimator_objective_functions.number_of_nodes_objective],
                    other_objective_functions_weights = [],
                    objective_function_names = None,
                    bigger_is_better = True,
                    max_size = np.inf,
                    linear_pipeline = False,
                    root_config_dict= 'Auto',
                    inner_config_dict=["selectors", "transformers"],
                    leaf_config_dict= None,
                    cross_val_predict_cv = 0,
                    categorical_features = None,
                    subsets = None,
                    memory = None,
                    preprocessing = False,
                    validation_strategy = "none",
                    validation_fraction = .2,
                    disable_label_encoder = False,

                    initial_population_size = 50,
                    population_size = 50,
                    max_evaluated_individuals = None,



                    early_stop = None,
                    early_stop_seconds = None,
                    scorers_early_stop_tol = 0.001,
                    other_objectives_early_stop_tol = None,
                    max_time_seconds=None,
                    max_eval_time_seconds=60*10,
                    n_jobs=1,
                    memory_limit = "4GB",
                    client = None,

                    crossover_probability=.2,
                    mutate_probability=.7,
                    mutate_then_crossover_probability=.05,
                    crossover_then_mutate_probability=.05,
                    survival_selector = survival_select_NSGA2,
                    parent_selector = tournament_selection_dominated,
                    budget_range = None,
                    budget_scaling = .5,
                    individuals_until_end_budget = 1,
                    stepwise_steps = 5,

                    warm_start = False,
                    subset_column = None,

                    verbose = 0,
                    periodic_checkpoint_folder = None,
                    callback = None,
                    processes = True,

                    scatter = True,

                    # random seed for random number generator (rng)
                    random_state = None,

                    optuna_optimize_pareto_front = False,
                    optuna_optimize_pareto_front_trials = 100,
                    optuna_optimize_pareto_front_timeout = 60*10,
                    optuna_storage = "sqlite:///optuna.db",
                    ):

    '''
    An sklearn baseestimator that uses genetic programming to optimize a pipeline.

    Parameters
    ----------

    scorers : (list, scorer)
        A scorer or list of scorers to be used in the cross-validation process.
        see https://scikit-learn.org/stable/modules/model_evaluation.html

    scorers_weights : list
        A list of weights to be applied to the scorers during the optimization process.

    classification : bool
        If True, the problem is treated as a classification problem. If False, the problem is treated as a regression problem.
        Used to determine the CV strategy.

    cv : int, cross-validator
        - (int): Number of folds to use in the cross-validation process. By uses the sklearn.model_selection.KFold cross-validator for regression and StratifiedKFold for classification. In both cases, shuffled is set to True.
        - (sklearn.model_selection.BaseCrossValidator): A cross-validator to use in the cross-validation process.

    other_objective_functions : list, default=[]
        A list of other objective functions to apply to the pipeline. The function takes a single parameter for the graphpipeline estimator and returns either a single score or a list of scores.

    other_objective_functions_weights : list, default=[]
        A list of weights to be applied to the other objective functions.

    objective_function_names : list, default=None
        A list of names to be applied to the objective functions. If None, will use the names of the objective functions.

    bigger_is_better : bool, default=True
        If True, the objective function is maximized. If False, the objective function is minimized. Use negative weights to reverse the direction.


    max_size : int, default=np.inf
        The maximum number of nodes of the pipelines to be generated.

    linear_pipeline : bool, default=False
        If True, the pipelines generated will be linear. If False, the pipelines generated will be directed acyclic graphs.

    root_config_dict : dict, default='auto'
        The configuration dictionary to use for the root node of the model.
        If 'auto', will use "classifiers" if classification=True, else "regressors".
        - 'selectors' : A selection of sklearn Selector methods.
        - 'classifiers' : A selection of sklearn Classifier methods.
        - 'regressors' : A selection of sklearn Regressor methods.
        - 'transformers' : A selection of sklearn Transformer methods.
        - 'arithmetic_transformer' : A selection of sklearn Arithmetic Transformer methods that replicate symbolic classification/regression operators.
        - 'passthrough' : A node that just passes though the input. Useful for passing through raw inputs into inner nodes.
        - 'feature_set_selector' : A selector that pulls out specific subsets of columns from the data. Only well defined as a leaf.
                                    Subsets are set with the subsets parameter.
        - 'skrebate' : Includes ReliefF, SURF, SURFstar, MultiSURF.
        - 'MDR' : Includes MDR.
        - 'ContinuousMDR' : Includes ContinuousMDR.
        - 'genetic encoders' : Includes Genetic Encoder methods as used in AutoQTL.
        - 'FeatureEncodingFrequencySelector': Includes FeatureEncodingFrequencySelector method as used in AutoQTL.
        - list : a list of strings out of the above options to include the corresponding methods in the configuration dictionary.

    inner_config_dict : dict, default=["selectors", "transformers"]
        The configuration dictionary to use for the inner nodes of the model generation.
        Default ["selectors", "transformers"]
        - 'selectors' : A selection of sklearn Selector methods.
        - 'classifiers' : A selection of sklearn Classifier methods.
        - 'regressors' : A selection of sklearn Regressor methods.
        - 'transformers' : A selection of sklearn Transformer methods.
        - 'arithmetic_transformer' : A selection of sklearn Arithmetic Transformer methods that replicate symbolic classification/regression operators.
        - 'passthrough' : A node that just passes though the input. Useful for passing through raw inputs into inner nodes.
        - 'feature_set_selector' : A selector that pulls out specific subsets of columns from the data. Only well defined as a leaf.
                                    Subsets are set with the subsets parameter.
        - 'skrebate' : Includes ReliefF, SURF, SURFstar, MultiSURF.
        - 'MDR' : Includes MDR.
        - 'ContinuousMDR' : Includes ContinuousMDR.
        - 'genetic encoders' : Includes Genetic Encoder methods as used in AutoQTL.
        - 'FeatureEncodingFrequencySelector': Includes FeatureEncodingFrequencySelector method as used in AutoQTL.
        - list : a list of strings out of the above options to include the corresponding methods in the configuration dictionary.
        - None : If None and max_depth>1, the root_config_dict will be used for the inner nodes as well.

    leaf_config_dict : dict, default=None
        The configuration dictionary to use for the leaf node of the model. If set, leaf nodes must be from this dictionary.
        Otherwise leaf nodes will be generated from the root_config_dict.
        Default None
        - 'selectors' : A selection of sklearn Selector methods.
        - 'classifiers' : A selection of sklearn Classifier methods.
        - 'regressors' : A selection of sklearn Regressor methods.
        - 'transformers' : A selection of sklearn Transformer methods.
        - 'arithmetic_transformer' : A selection of sklearn Arithmetic Transformer methods that replicate symbolic classification/regression operators.
        - 'passthrough' : A node that just passes though the input. Useful for passing through raw inputs into inner nodes.
        - 'feature_set_selector' : A selector that pulls out specific subsets of columns from the data. Only well defined as a leaf.
                                    Subsets are set with the subsets parameter.
        - 'skrebate' : Includes ReliefF, SURF, SURFstar, MultiSURF.
        - 'MDR' : Includes MDR.
        - 'ContinuousMDR' : Includes ContinuousMDR.
        - 'genetic encoders' : Includes Genetic Encoder methods as used in AutoQTL.
        - 'FeatureEncodingFrequencySelector': Includes FeatureEncodingFrequencySelector method as used in AutoQTL.
        - list : a list of strings out of the above options to include the corresponding methods in the configuration dictionary.
        - None : If None, a leaf will not be required (i.e. the pipeline can be a single root node). Leaf nodes will be generated from the inner_config_dict.

    cross_val_predict_cv : int, default=0
        Number of folds to use for the cross_val_predict function for inner classifiers and regressors. Estimators will still be fit on the full dataset, but the following node will get the outputs from cross_val_predict.

        - 0-1 : When set to 0 or 1, the cross_val_predict function will not be used. The next layer will get the outputs from fitting and transforming the full dataset.
        - >=2 : When fitting pipelines with inner classifiers or regressors, they will still be fit on the full dataset.
                However, the output to the next node will come from cross_val_predict with the specified number of folds.

    categorical_features: list or None
        Categorical columns to inpute and/or one hot encode during the preprocessing step. Used only if preprocessing is not False.
        - None : If None, TPOT2 will automatically use object columns in pandas dataframes as objects for one hot encoding in preprocessing.
        - List of categorical features. If X is a dataframe, this should be a list of column names. If X is a numpy array, this should be a list of column indices

    subsets : str or list, default=None
        Sets the subsets that the FeatureSetSeletor will select from if set as an option in one of the configuration dictionaries.
        - str : If a string, it is assumed to be a path to a csv file with the subsets.
            The first column is assumed to be the name of the subset and the remaining columns are the features in the subset.
        - list or np.ndarray : If a list or np.ndarray, it is assumed to be a list of subsets.
        - None : If None, each column will be treated as a subset. One column will be selected per subset.
        If subsets is None, each column will be treated as a subset. One column will be selected per subset.


    memory: Memory object or string, default=None
        If supplied, pipeline will cache each transformer after calling fit. This feature
        is used to avoid computing the fit transformers within a pipeline if the parameters
        and input data are identical with another fitted pipeline during optimization process.
        - String 'auto':
            TPOT uses memory caching with a temporary directory and cleans it up upon shutdown.
        - String path of a caching directory
            TPOT uses memory caching with the provided directory and TPOT does NOT clean
            the caching directory up upon shutdown. If the directory does not exist, TPOT will
            create it.
        - Memory object:
            TPOT uses the instance of joblib.Memory for memory caching,
            and TPOT does NOT clean the caching directory up upon shutdown.
        - None:
            TPOT does not use memory caching.

    preprocessing : bool or BaseEstimator/Pipeline,
        EXPERIMENTAL
        A pipeline that will be used to preprocess the data before CV.
        - bool : If True, will use a default preprocessing pipeline.
        - Pipeline : If an instance of a pipeline is given, will use that pipeline as the preprocessing pipeline.

    validation_strategy : str, default='none'
        EXPERIMENTAL The validation strategy to use for selecting the final pipeline from the population. TPOT2 may overfit the cross validation score. A second validation set can be used to select the final pipeline.
        - 'auto' : Automatically determine the validation strategy based on the dataset shape.
        - 'reshuffled' : Use the same data for cross validation and final validation, but with different splits for the folds. This is the default for small datasets.
        - 'split' : Use a separate validation set for final validation. Data will be split according to validation_fraction. This is the default for medium datasets.
        - 'none' : Do not use a separate validation set for final validation. Select based on the original cross-validation score. This is the default for large datasets.

    validation_fraction : float, default=0.2
      EXPERIMENTAL The fraction of the dataset to use for the validation set when validation_strategy is 'split'. Must be between 0 and 1.

    disable_label_encoder : bool, default=False
        If True, TPOT will check if the target needs to be relabeled to be sequential ints from 0 to N. This is necessary for XGBoost compatibility. If the labels need to be encoded, TPOT2 will use sklearn.preprocessing.LabelEncoder to encode the labels. The encoder can be accessed via the self.label_encoder_ attribute.
        If False, no additional label encoders will be used.

    population_size : int, default=50
        Size of the population

    initial_population_size : int, default=None
        Size of the initial population. If None, population_size will be used.

    population_scaling : int, default=0.5
        Scaling factor to use when determining how fast we move the threshold moves from the start to end percentile.

    generations_until_end_population : int, default=1
        Number of generations until the population size reaches population_size

    generations : int, default=50
        Number of generations to run

    early_stop : int, default=None
        Number of evaluated individuals without improvement before early stopping. Counted across all objectives independently. Triggered when all objectives have not improved by the given number of individuals.

    early_stop_seconds : float, default=None
        Number of seconds without improvement before early stopping. All objectives must not have improved for the given number of seconds for this to be triggered.

    scorers_early_stop_tol :
        -list of floats
            list of tolerances for each scorer. If the difference between the best score and the current score is less than the tolerance, the individual is considered to have converged
            If an index of the list is None, that item will not be used for early stopping
        -int
            If an int is given, it will be used as the tolerance for all objectives

    other_objectives_early_stop_tol :
        -list of floats
            list of tolerances for each of the other objective function. If the difference between the best score and the current score is less than the tolerance, the individual is considered to have converged
            If an index of the list is None, that item will not be used for early stopping
        -int
            If an int is given, it will be used as the tolerance for all objectives

    max_time_seconds : float, default=float("inf")
        Maximum time to run the optimization. If none or inf, will run until the end of the generations.

    max_eval_time_seconds : float, default=60*5
        Maximum time to evaluate a single individual. If none or inf, there will be no time limit per evaluation.

    n_jobs : int, default=1
        Number of processes to run in parallel.

    memory_limit : str, default="4GB"
        Memory limit for each job. See Dask [LocalCluster documentation](https://distributed.dask.org/en/stable/api.html#distributed.Client) for more information.

    client : dask.distributed.Client, default=None
        A dask client to use for parallelization. If not None, this will override the n_jobs and memory_limit parameters. If None, will create a new client with num_workers=n_jobs and memory_limit=memory_limit.

    crossover_probability : float, default=.2
        Probability of generating a new individual by crossover between two individuals.

    mutate_probability : float, default=.7
        Probability of generating a new individual by crossover between one individuals.

    mutate_then_crossover_probability : float, default=.05
        Probability of generating a new individual by mutating two individuals followed by crossover.

    crossover_then_mutate_probability : float, default=.05
        Probability of generating a new individual by crossover between two individuals followed by a mutation of the resulting individual.

    survival_selector : function, default=survival_select_NSGA2
        Function to use to select individuals for survival. Must take a matrix of scores and return selected indexes.
        Used to selected population_size individuals at the start of each generation to use for mutation and crossover.

    parent_selector : function, default=parent_select_NSGA2
        Function to use to select pairs parents for crossover and individuals for mutation. Must take a matrix of scores and return selected indexes.

    budget_range : list [start, end], default=None
        A starting and ending budget to use for the budget scaling.

    budget_scaling float : [0,1], default=0.5
        A scaling factor to use when determining how fast we move the budget from the start to end budget.

    individuals_until_end_budget : int, default=1
        The number of generations to run before reaching the max budget.

    stepwise_steps : int, default=1
        The number of staircase steps to take when scaling the budget and population size.

    threshold_evaluation_early_stop : list [start, end], default=None
        starting and ending percentile to use as a threshold for the evaluation early stopping.
        Values between 0 and 100.

    threshold_evaluation_scaling : float [0,inf), default=0.5
        A scaling factor to use when determining how fast we move the threshold moves from the start to end percentile.
        Must be greater than zero. Higher numbers will move the threshold to the end faster.

    min_history_threshold : int, default=0
        The minimum number of previous scores needed before using threshold early stopping.

    selection_evaluation_early_stop : list, default=None
        A lower and upper percent of the population size to select each round of CV.
        Values between 0 and 1.

    selection_evaluation_scaling : float, default=0.5
        A scaling factor to use when determining how fast we move the threshold moves from the start to end percentile.
        Must be greater than zero. Higher numbers will move the threshold to the end faster.

    n_initial_optimizations : int, default=0
        Number of individuals to optimize before starting the evolution.

    optimization_cv : int
       Number of folds to use for the optuna optimization's internal cross-validation.

    max_optimize_time_seconds : float, default=60*5
        Maximum time to run an optimization

    optimization_steps : int, default=10
        Number of steps per optimization

    warm_start : bool, default=False
        If True, will use the continue the evolutionary algorithm from the last generation of the previous run.

    subset_column : str or int, default=None
        EXPERIMENTAL The column to use for the subset selection. Must also pass in unique_subset_values to GraphIndividual to function.

    verbose : int, default=1
        How much information to print during the optimization process. Higher values include the information from lower values.
        0. nothing
        1. progress bar

        3. best individual
        4. warnings
        >=5. full warnings trace

    random_state : int, None, default=None
        A seed for reproducability of experiments. This value will be passed to numpy.random.default_rng() to create an instnce of the genrator to pass to other classes
        - int
            Will be used to create and lock in Generator instance with 'numpy.random.default_rng()'
        - None
            Will be used to create Generator for 'numpy.random.default_rng()' where a fresh, unpredictable entropy will be pulled from the OS


    periodic_checkpoint_folder : str, default=None
        Folder to save the population to periodically. If None, no periodic saving will be done.
        If provided, training will resume from this checkpoint.

    callback : tpot2.CallBackInterface, default=None
        Callback object. Not implemented

    processes : bool, default=True
        If True, will use multiprocessing to parallelize the optimization process. If False, will use threading.
        True seems to perform better. However, False is required for interactive debugging.

    Attributes
    ----------

    fitted_pipeline_ : GraphPipeline
        A fitted instance of the GraphPipeline that inherits from sklearn BaseEstimator. This is fitted on the full X, y passed to fit.

    evaluated_individuals : A pandas data frame containing data for all evaluated individuals in the run.
        Columns:
        - *objective functions : The first few columns correspond to the passed in scorers and objective functions
        - Parents : A tuple containing the indexes of the pipelines used to generate the pipeline of that row. If NaN, this pipeline was generated randomly in the initial population.
        - Variation_Function : Which variation function was used to mutate or crossover the parents. If NaN, this pipeline was generated randomly in the initial population.
        - Individual : The internal representation of the individual that is used during the evolutionary algorithm. This is not an sklearn BaseEstimator.
        - Generation : The generation the pipeline first appeared.
        - Pareto_Front	: The nondominated front that this pipeline belongs to. 0 means that its scores is not strictly dominated by any other individual.
                        To save on computational time, the best frontier is updated iteratively each generation.
                        The pipelines with the 0th pareto front do represent the exact best frontier. However, the pipelines with pareto front >= 1 are only in reference to the other pipelines in the final population.
                        All other pipelines are set to NaN.
        - Instance	: The unfitted GraphPipeline BaseEstimator.
        - *validation objective functions : Objective function scores evaluated on the validation set.
        - Validation_Pareto_Front : The full pareto front calculated on the validation set. This is calculated for all pipelines with Pareto_Front equal to 0. Unlike the Pareto_Front which only calculates the frontier and the final population, the Validation Pareto Front is calculated for all pipelines tested on the validation set.

    pareto_front : The same pandas dataframe as evaluated individuals, but containing only the frontier pareto front pipelines.
    '''

    # sklearn BaseEstimator must have a corresponding attribute for each parameter.
    # These should not be modified once set.

    self.scorers = scorers
    self.scorers_weights = scorers_weights
    self.classification = classification
    self.cv = cv
    self.other_objective_functions = other_objective_functions
    self.other_objective_functions_weights = other_objective_functions_weights
    self.objective_function_names = objective_function_names
    self.bigger_is_better = bigger_is_better
    self.max_size = max_size
    self.linear_pipeline = linear_pipeline
    self.root_config_dict= root_config_dict
    self.inner_config_dict= inner_config_dict
    self.leaf_config_dict= leaf_config_dict
    self.cross_val_predict_cv = cross_val_predict_cv
    self.categorical_features = categorical_features
    self.subsets = subsets
    self.memory = memory
    self.preprocessing = preprocessing
    self.validation_strategy = validation_strategy
    self.validation_fraction = validation_fraction
    self.disable_label_encoder = disable_label_encoder
    self.population_size = population_size
    self.initial_population_size = initial_population_size

    self.early_stop = early_stop
    self.early_stop_seconds = early_stop_seconds
    self.scorers_early_stop_tol = scorers_early_stop_tol
    self.other_objectives_early_stop_tol = other_objectives_early_stop_tol
    self.max_time_seconds = max_time_seconds
    self.max_eval_time_seconds = max_eval_time_seconds
    self.n_jobs= n_jobs
    self.memory_limit = memory_limit
    self.client = client

    self.crossover_probability = crossover_probability
    self.mutate_probability = mutate_probability
    self.mutate_then_crossover_probability= mutate_then_crossover_probability
    self.crossover_then_mutate_probability= crossover_then_mutate_probability
    self.survival_selector=survival_selector
    self.parent_selector=parent_selector
    self.budget_range = budget_range
    self.budget_scaling = budget_scaling
    self.individuals_until_end_budget = individuals_until_end_budget
    self.stepwise_steps = stepwise_steps

    self.warm_start = warm_start
    self.subset_column = subset_column

    self.verbose = verbose
    self.periodic_checkpoint_folder = periodic_checkpoint_folder
    self.callback = callback
    self.processes = processes


    self.scatter = scatter

    self.optuna_optimize_pareto_front = optuna_optimize_pareto_front
    self.optuna_optimize_pareto_front_trials = optuna_optimize_pareto_front_trials
    self.optuna_optimize_pareto_front_timeout = optuna_optimize_pareto_front_timeout
    self.optuna_storage = optuna_storage

    # create random number generator based on rng_seed
    self.rng = np.random.default_rng(random_state)
    # save random state passed to us for other functions that use random_state
    self.random_state = random_state
    # set the numpy seed so anything using it will be consistent as well
    np.random.seed(random_state)


    self.max_evaluated_individuals = max_evaluated_individuals

    #Initialize other used params


    if self.initial_population_size is None:
        self._initial_population_size = self.population_size
    else:
        self._initial_population_size = self.initial_population_size

    if isinstance(self.scorers, str):
        self._scorers = [self.scorers]

    elif callable(self.scorers):
        self._scorers = [self.scorers]
    else:
        self._scorers = self.scorers

    self._scorers = [sklearn.metrics.get_scorer(scoring) for scoring in self._scorers]
    self._scorers_early_stop_tol = self.scorers_early_stop_tol

    self._evolver = tpot2.evolvers.SteadyStateEvolver



    self.objective_function_weights = [*scorers_weights, *other_objective_functions_weights]


    if self.objective_function_names is None:
        obj_names = [f.__name__ for f in other_objective_functions]
    else:
        obj_names = self.objective_function_names
    self.objective_names = [f._score_func.__name__ if hasattr(f,"_score_func") else f.__name__ for f in self._scorers] + obj_names


    if not isinstance(self.other_objectives_early_stop_tol, list):
        self._other_objectives_early_stop_tol = [self.other_objectives_early_stop_tol for _ in range(len(self.other_objective_functions))]
    else:
        self._other_objectives_early_stop_tol = self.other_objectives_early_stop_tol

    if not isinstance(self._scorers_early_stop_tol, list):
        self._scorers_early_stop_tol = [self._scorers_early_stop_tol for _ in range(len(self._scorers))]
    else:
        self._scorers_early_stop_tol = self._scorers_early_stop_tol

    self.early_stop_tol = [*self._scorers_early_stop_tol, *self._other_objectives_early_stop_tol]

    self._evolver_instance = None
    self.evaluated_individuals = None

    self.label_encoder_ = None

    set_dask_settings()