dragon-ml-toolbox 13.0.0__py3-none-any.whl → 13.1.0__py3-none-any.whl

ml_tools/ML_simple_optimization.py

@@ -1,413 +0,0 @@
-import pandas # logger
-import torch
-import numpy    #handling torch to numpy
-import evotorch
-from evotorch.algorithms import SNES, CEM, GeneticAlgorithm
-from evotorch.logging import PandasLogger
-from evotorch.operators import SimulatedBinaryCrossOver, GaussianMutation
-from typing import Literal, Union, Tuple, List, Optional, Any, Callable
-from pathlib import Path
-from tqdm.auto import trange
-from contextlib import nullcontext
-from functools import partial
-
-from .path_manager import make_fullpath, sanitize_filename
-from ._logger import _LOGGER
-from ._script_info import _script_info
-from .ML_inference import PyTorchInferenceHandler
-from .keys import PyTorchInferenceKeys
-from .SQL import DatabaseManager
-from .optimization_tools import _save_result
-from .utilities import save_dataframe_filename
-from .math_utilities import threshold_binary_values
-
-"""
-DEPRECATED
-"""
-
-__all__ = [
-    "s_MLOptimizer",
-    "s_create_pytorch_problem",
-    "s_run_optimization"
-]
-
-
-class s_MLOptimizer:
-    """
-    A wrapper class for setting up and running EvoTorch optimization tasks.
-
-    This class combines the functionality of `create_pytorch_problem` and
-    `run_optimization` functions into a single, streamlined workflow. 
-    
-    SNES and CEM algorithms do not accept bounds, the given bounds will be used as an initial starting point.
-
-    Example:
-        >>> # 1. Initialize the optimizer with model and search parameters
-        >>> optimizer = MLOptimizer(
-        ...     inference_handler=my_handler,
-        ...     bounds=(lower_bounds, upper_bounds),
-        ...     number_binary_features=2,
-        ...     task="max",
-        ...     algorithm="Genetic"
-        ... )
-        >>> # 2. Run the optimization and save the results
-        >>> best_result = optimizer.run(
-        ...     num_generations=100,
-        ...     target_name="my_target",
-        ...     feature_names=my_feature_names,
-        ...     save_dir="/path/to/results",
-        ...     save_format="csv"
-        ... )
-    """
-    def __init__(self,
-                 inference_handler: PyTorchInferenceHandler,
-                 bounds: Tuple[List[float], List[float]],
-                 number_binary_features: int,
-                 task: Literal["min", "max"],
-                 algorithm: Literal["SNES", "CEM", "Genetic"] = "Genetic",
-                 population_size: int = 200,
-                 **searcher_kwargs):
-        """
-        Initializes the optimizer by creating the EvoTorch problem and searcher.
-
-        Args:
-            inference_handler (PyTorchInferenceHandler): An initialized inference handler containing the model and weights.
-            bounds (tuple[list[float], list[float]]): A tuple containing the lower and upper bounds for the solution features.
-            number_binary_features (int): Number of binary features located at the END of the feature vector.
-            task (str): The optimization goal, either "min" or "max".
-            algorithm (str): The search algorithm to use ("SNES", "CEM", "Genetic").
-            population_size (int): Population size for CEM and GeneticAlgorithm.
-            **searcher_kwargs: Additional keyword arguments for the selected search algorithm's constructor.
-        """
-        # Call the existing factory function to get the problem and searcher factory
-        self.problem, self.searcher_factory = s_create_pytorch_problem(
-            inference_handler=inference_handler,
-            bounds=bounds,
-            binary_features=number_binary_features,
-            task=task,
-            algorithm=algorithm,
-            population_size=population_size,
-            **searcher_kwargs
-        )
-        # Store binary_features count to pass it to the run function later
-        self._binary_features = number_binary_features
-
-    def run(self,
-            num_generations: int,
-            target_name: str,
-            save_dir: Union[str, Path],
-            feature_names: Optional[List[str]],
-            save_format: Literal['csv', 'sqlite', 'both'],
-            repetitions: int = 1,
-            verbose: bool = True) -> Optional[dict]:
-        """
-        Runs the evolutionary optimization process using the pre-configured settings.
-
-        Args:
-            num_generations (int): The total number of generations for each repetition.
-            target_name (str): Target name used for the CSV filename and/or SQL table.
-            save_dir (str | Path): The directory where result files will be saved.
-            feature_names (List[str] | None): Names of the solution features for labeling output. If None, generic names like 'feature_0', 'feature_1', ... , will be created.
-            save_format (Literal['csv', 'sqlite', 'both']): The format for saving results.
-            repetitions (int): The number of independent times to run the optimization.
-            verbose (bool): If True, enables detailed logging.
-
-        Returns:
-            Optional[dict]: A dictionary with the best result if repetitions is 1, otherwise None.
-        """
-        # Call the existing run function with the stored problem, searcher, and binary feature count
-        return s_run_optimization(
-            problem=self.problem,
-            searcher_factory=self.searcher_factory,
-            num_generations=num_generations,
-            target_name=target_name,
-            binary_features=self._binary_features,
-            save_dir=save_dir,
-            save_format=save_format,
-            feature_names=feature_names,
-            repetitions=repetitions,
-            verbose=verbose
-        )
-
-
-def s_create_pytorch_problem(
-    inference_handler: PyTorchInferenceHandler,
-    bounds: Tuple[List[float], List[float]],
-    binary_features: int,
-    task: Literal["min", "max"],
-    algorithm: Literal["SNES", "CEM", "Genetic"] = "Genetic",
-    population_size: int = 200,
-    **searcher_kwargs
-) -> Tuple[evotorch.Problem, Callable[[], Any]]:
-    """
-    Creates and configures an EvoTorch Problem and a Searcher factory class for a PyTorch model.
-    
-    SNES and CEM do not accept bounds, the given bounds will be used as an initial starting point.
-    
-    The Genetic Algorithm works directly with the bounds, and operators such as SimulatedBinaryCrossOver and GaussianMutation.
-    
-    Args:
-        inference_handler (PyTorchInferenceHandler): An initialized inference handler containing the model and weights.
-        bounds (tuple[list[float], list[float]]): A tuple containing the lower and upper bounds for the solution features.
-        binary_features (int): Number of binary features located at the END of the feature vector. Will be automatically added to the bounds.
-        task (str): The optimization goal, either "minimize" or "maximize".
-        algorithm (str): The search algorithm to use.
-        population_size (int): Used for CEM and GeneticAlgorithm.
-        **searcher_kwargs: Additional keyword arguments to pass to the
-            selected search algorithm's constructor (e.g., stdev_init=0.5 for CMAES).
-
-    Returns:
-        Tuple:
-        A tuple containing the configured Problem and Searcher.
-    """
-    # Create copies to avoid modifying the original lists passed in the `bounds` tuple
-    lower_bounds = list(bounds[0])
-    upper_bounds = list(bounds[1])
-    
-    # add binary bounds
-    if binary_features > 0:
-        lower_bounds.extend([0.48] * binary_features)
-        upper_bounds.extend([0.52] * binary_features)
-    
-    solution_length = len(lower_bounds)
-    device = inference_handler.device
-
-    # Define the fitness function that EvoTorch will call.
-    def fitness_func(solution_tensor: torch.Tensor) -> torch.Tensor:
-        # Directly use the continuous-valued tensor from the optimizer for prediction
-        predictions = inference_handler.predict_batch(solution_tensor)[PyTorchInferenceKeys.PREDICTIONS]
-        return predictions.flatten()
-    
-    
-    # Create the Problem instance.
-    if algorithm == "CEM" or algorithm == "SNES":
-        problem = evotorch.Problem(
-            objective_sense=task,
-            objective_func=fitness_func,
-            solution_length=solution_length,
-            initial_bounds=(lower_bounds, upper_bounds),
-            device=device,
-            vectorized=True #Use batches
-        )
-        
-        # If stdev_init is not provided, calculate it based on the bounds (used for SNES and CEM)
-        if 'stdev_init' not in searcher_kwargs:
-            # Calculate stdev for each parameter as 25% of its search range
-            stdevs = [abs(up - low) * 0.25 for low, up in zip(lower_bounds, upper_bounds)]
-            searcher_kwargs['stdev_init'] = torch.tensor(stdevs, dtype=torch.float32, requires_grad=False)
-        
-        if algorithm == "SNES":
-            SearcherClass = SNES
-        elif algorithm == "CEM":
-            SearcherClass = CEM
-            # Set a defaults for CEM if not provided
-            if 'popsize' not in searcher_kwargs:
-                searcher_kwargs['popsize'] = population_size
-            if 'parenthood_ratio' not in searcher_kwargs:
-                searcher_kwargs['parenthood_ratio'] = 0.2   #float 0.0 - 1.0
-        
-    elif algorithm == "Genetic":
-        problem = evotorch.Problem(
-            objective_sense=task,
-            objective_func=fitness_func,
-            solution_length=solution_length,
-            bounds=(lower_bounds, upper_bounds),
-            device=device,
-            vectorized=True #Use batches
-        )
-
-        operators = [
-            SimulatedBinaryCrossOver(problem,
-                                    tournament_size=3,
-                                    eta=0.6),
-            GaussianMutation(problem,
-                            stdev=0.4)
-        ]
-        
-        searcher_kwargs["operators"] = operators
-        if 'popsize' not in searcher_kwargs:
-            searcher_kwargs['popsize'] = population_size
-        
-        SearcherClass = GeneticAlgorithm
-        
-    else:
-        _LOGGER.error(f"Unknown algorithm '{algorithm}'.")
-        raise ValueError()
-    
-    # Create a factory function with all arguments pre-filled
-    searcher_factory = partial(SearcherClass, problem, **searcher_kwargs)
-
-    return problem, searcher_factory
-
-
-def s_run_optimization(
-    problem: evotorch.Problem,
-    searcher_factory: Callable[[],Any],
-    num_generations: int,
-    target_name: str,
-    binary_features: int,
-    save_dir: Union[str, Path],
-    save_format: Literal['csv', 'sqlite', 'both'],
-    feature_names: Optional[List[str]],
-    repetitions: int = 1,
-    verbose: bool = True
-) -> Optional[dict]:
-    """
-    Runs the evolutionary optimization process, with support for multiple repetitions.
-
-    This function serves as the main engine for the optimization task. It takes a
-    configured Problem and a Searcher from EvoTorch and executes the optimization
-    for a specified number of generations.
-
-    It has two modes of operation:
-    1.  **Single Run (repetitions=1):** Executes the optimization once, saves the
-        single best result to a CSV file, and returns it as a dictionary.
-    2.  **Iterative Analysis (repetitions > 1):** Executes the optimization
-        multiple times. Results from each run are streamed incrementally to the
-        specified file formats (CSV and/or SQLite database). In this mode,
-        the function returns None.
-
-    Args:
-        problem (evotorch.Problem): The configured problem instance, which defines
-            the objective function, solution space, and optimization sense.
-        searcher_factory (Callable): The searcher factory to generate fresh evolutionary algorithms.
-        num_generations (int): The total number of generations to run the search algorithm for in each repetition.
-        target_name (str): Target name that will also be used for the CSV filename and SQL table.
-        binary_features (int): Number of binary features located at the END of the feature vector.
-        save_dir (str | Path): The directory where the result file(s) will be saved.
-        save_format (Literal['csv', 'sqlite', 'both'], optional): The format for
-            saving results during iterative analysis.
-        feature_names (List[str], optional): Names of the solution features for
-            labeling the output files. If None, generic names like 'feature_0',
-            'feature_1', etc., will be created.
-        repetitions (int, optional): The number of independent times to run the
-            entire optimization process.
-        verbose (bool): Add an Evotorch Pandas logger saved as a csv. Only for the first repetition.
-
-    Returns:
-        Optional[dict]: A dictionary containing the best feature values and the
-        fitness score if `repetitions` is 1. Returns `None` if `repetitions`
-        is greater than 1, as results are streamed to files instead.
-    """
-    # preprocess paths
-    save_path = make_fullpath(save_dir, make=True, enforce="directory")
-    
-    sanitized_target_name = sanitize_filename(target_name)
-    if not sanitized_target_name.endswith(".csv"):
-        sanitized_target_name = sanitized_target_name + ".csv"
-    
-    csv_path = save_path / sanitized_target_name
-    
-    db_path = save_path / "Optimization.db"
-    db_table_name = target_name
-    
-    # preprocess feature names
-    if feature_names is None:
-        feature_names = [f"feature_{i}" for i in range(problem.solution_length)] # type: ignore
-    
-    # --- SINGLE RUN LOGIC ---
-    if repetitions <= 1:
-        searcher = searcher_factory()
-        _LOGGER.info(f"🤖 Starting optimization with {searcher.__class__.__name__} Algorithm for {num_generations} generations...")
-        # for _ in trange(num_generations, desc="Optimizing"):
-        #     searcher.step()
-        
-        # Attach logger if requested
-        if verbose:
-            pandas_logger = PandasLogger(searcher)
-            
-        searcher.run(num_generations) # Use the built-in run method for simplicity
-            
-        # # DEBUG new searcher objects
-        # for status_key in searcher.iter_status_keys():
-        #     print("===", status_key, "===")
-        #     print(searcher.status[status_key])
-        #     print()
-        
-        # Get results from the .status dictionary 
-        # SNES and CEM use the key 'center' to get mean values if needed    best_solution_tensor = searcher.status["center"]
-        best_solution_container = searcher.status["pop_best"]
-        best_solution_tensor = best_solution_container.values
-        best_fitness = best_solution_container.evals
-
-        best_solution_np = best_solution_tensor.cpu().numpy()
-        
-        # threshold binary features
-        if binary_features > 0:
-            best_solution_thresholded = threshold_binary_values(input_array=best_solution_np, binary_values=binary_features)
-        else:
-            best_solution_thresholded = best_solution_np
-
-        result_dict = {name: value for name, value in zip(feature_names, best_solution_thresholded)}
-        result_dict[target_name] = best_fitness.item()
-        
-        _save_result(result_dict, 'csv', csv_path) # Single run defaults to CSV
-        
-        # Process logger
-        if verbose:
-            _handle_pandas_log(pandas_logger, save_path=save_path, target_name=target_name)
-        
-        _LOGGER.info(f"Optimization complete. Best solution saved to '{csv_path.name}'")
-        return result_dict
-
-    # --- MULTIPLE REPETITIONS LOGIC ---
-    else:
-        _LOGGER.info(f"🏁 Starting optimal solution space analysis with {repetitions} repetitions...")
-
-        db_context = DatabaseManager(db_path) if save_format in ['sqlite', 'both'] else nullcontext()
-        
-        with db_context as db_manager:
-            if db_manager:
-                schema = {name: "REAL" for name in feature_names}
-                schema[target_name] = "REAL"
-                db_manager.create_table(db_table_name, schema)
-            
-            print("")
-            # Repetitions loop
-            pandas_logger = None
-            for i in trange(repetitions, desc="Repetitions"):
-                # CRITICAL: Create a fresh searcher for each run using the factory
-                searcher = searcher_factory()
-                
-                # Attach logger if requested
-                if verbose and i==0:
-                    pandas_logger = PandasLogger(searcher)
-                
-                searcher.run(num_generations) # Use the built-in run method for simplicity
-                
-                # Get results from the .status dictionary 
-                # SNES and CEM use the key 'center' to get mean values if needed    best_solution_tensor = searcher.status["center"]
-                best_solution_container = searcher.status["pop_best"]
-                best_solution_tensor = best_solution_container.values
-                best_fitness = best_solution_container.evals
-             
-                best_solution_np = best_solution_tensor.cpu().numpy()
-                
-                # threshold binary features
-                if binary_features > 0:
-                    best_solution_thresholded = threshold_binary_values(input_array=best_solution_np, binary_values=binary_features)
-                else:
-                    best_solution_thresholded = best_solution_np
-                
-                # make results dictionary
-                result_dict = {name: value for name, value in zip(feature_names, best_solution_thresholded)}
-                result_dict[target_name] = best_fitness.item()
-                
-                # Save each result incrementally
-                _save_result(result_dict, save_format, csv_path, db_manager, db_table_name)
-            
-        # Process logger
-        if pandas_logger is not None:
-            _handle_pandas_log(pandas_logger, save_path=save_path, target_name=target_name)      
-        
-        _LOGGER.info(f"Optimal solution space complete. Results saved to '{save_path}'")
-        return None
-
-
-def _handle_pandas_log(logger: PandasLogger, save_path: Path, target_name: str):
-    log_dataframe = logger.to_dataframe()
-    save_dataframe_filename(df=log_dataframe, save_dir=save_path / "EvolutionLogs", filename=target_name)
-
-
-def info():
-    _script_info(__all__)