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merge_predict_res.py

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    Troubled_Cell_Detector.py 22.00 KiB
    # -*- coding: utf-8 -*-
    """
    @author: Laura C. Kühle, Soraya Terrab (sorayaterrab)
    
    TODO: Adjust TCs for wavelet detectors (sliding window over all cells instead of every second)
    TODO: Adjust Boxplot approach (adjacent cells, outer fence, etc.)
    TODO: Give detailed description of wavelet detection
    
    """
    import numpy as np
    import matplotlib
    from matplotlib import pyplot as plt
    import seaborn as sns
    import torch
    from sympy import Symbol
    
    import ANN_Model
    from Plotting import plot_solution_and_approx, plot_semilog_error, plot_error, plot_shock_tube, \
        plot_details, calculate_approximate_solution, calculate_exact_solution
    
    matplotlib.use('Agg')
    x = Symbol('x')
    z = Symbol('z')
    
    
    class TroubledCellDetector(object):
        """Class for troubled-cell detection.
    
        Detects troubled cells, i.e., cells in the mesh containing instabilities.
    
        Attributes
        ----------
        interval_len : float
            Length of the interval between left and right boundary.
        cell_len : float
            Length of a cell in mesh.
    
        Methods
        -------
        get_name()
            Returns string of class name.
        get_cells(projection)
            Calculates troubled cells in a given projection.
        calculate_cell_average_and_reconstructions(projection, stencil_length)
            Calculates cell averages and reconstructions for a given projection.
        plot_results(projection, troubled_cell_history, time_history)
            Plots results and troubled cells of a projection given its evaluation history.
    
        """
        def __init__(self, config, mesh, wave_speed, polynomial_degree, num_grid_cells, final_time,
                     left_bound, right_bound, basis, init_cond, quadrature):
            """Initializes TroubledCellDetector.
    
            Parameters
            ----------
            mesh : array
                List of mesh valuation points.
            wave_speed : float
                Speed of wave in rightward direction.
            polynomial_degree : int
                Polynomial degree.
            num_grid_cells : int
                Number of cells in the mesh. Usually exponential of 2.
            final_time : float
                Final time for which approximation is calculated.
            left_bound : float
                Left boundary of interval.
            right_bound : float
                Right boundary of interval.
            basis : Basis object
                Basis for calculation.
            init_cond : InitialCondition object
                Initial condition for evaluation.
            quadrature : Quadrature object
                Quadrature for evaluation.
    
            """
            self._mesh = mesh
            self._wave_speed = wave_speed
            self._polynomial_degree = polynomial_degree
            self._num_grid_cells = num_grid_cells
            self._final_time = final_time
            self._left_bound = left_bound
            self._right_bound = right_bound
            self._interval_len = right_bound - left_bound
            self._cell_len = self._interval_len / num_grid_cells
            self._basis = basis
            self._init_cond = init_cond
            self._quadrature = quadrature
    
            # Set parameters from config if existing
            self._colors = config.pop('colors', {})
    
            self._check_colors()
            self._reset(config)
    
        def _check_colors(self):
            """Checks plot colors.
    
            Checks whether colors for plots were given and sets them if required.
    
            """
            self._colors['exact'] = self._colors.get('exact', 'k-')
            self._colors['approx'] = self._colors.get('approx', 'y')
    
        def _reset(self, config):
            """Resets instance variables.
    
            Parameters
            ----------
            config : dict
                Additional parameters for detector.
    
            """
            sns.set()
    
        def get_name(self):
            """Returns string of class name."""
            return self.__class__.__name__
    
        def get_cells(self, projection):
            """Calculates troubled cells in a given projection.
    
            Parameters
            ----------
            projection : np.array
                Matrix of projection for each polynomial degree.
    
            """
            pass
    
        def calculate_cell_average_and_reconstructions(self, projection, stencil_length):
            """Calculates cell averages and reconstructions for a given projection.
    
            Calculate the cell averages of all cells in a projection. Reconstructions are only
            calculated for the middle cell and added left and right to it, respectively.
    
            Parameters
            ----------
            projection : np.array
                Matrix of projection for each polynomial degree.
            stencil_length : int
                Size of data array.
    
            Returns
            -------
            np.array
                Matrix containing cell averages and reconstructions for initial projection.
    
            """
            cell_averages = calculate_approximate_solution(
                projection, [0], 0, self._basis.get_basis_vector())
            left_reconstructions = calculate_approximate_solution(
                projection, [-1], self._polynomial_degree, self._basis.get_basis_vector())
            right_reconstructions = calculate_approximate_solution(
                projection, [1], self._polynomial_degree, self._basis.get_basis_vector())
            middle_idx = stencil_length//2
            return np.array(list(map(np.float64, zip(cell_averages[:, :middle_idx],
                            left_reconstructions[:, middle_idx], cell_averages[:, middle_idx],
                            right_reconstructions[:, middle_idx], cell_averages[:, middle_idx+1:]))))
    
        def plot_results(self, projection, troubled_cell_history, time_history):
            """Plots results and troubled cells of a projection given its evaluation history.
    
            Parameters
            ----------
            projection : np.array
                Matrix of projection for each polynomial degree.
            troubled_cell_history : list
                List of detected troubled cells for each time step.
            time_history:
                List of value of each time step.
    
            """
            plot_shock_tube(self._num_grid_cells, troubled_cell_history, time_history)
            max_error = self._plot_mesh(projection)
    
            print('p =', self._polynomial_degree)
            print('N =', self._num_grid_cells)
            print('maximum error =', max_error)
    
        def _plot_mesh(self, projection):
            """Plots exact and approximate solution as well as errors.
    
            Parameters
            ----------
            projection : np.array
                Matrix of projection for each polynomial degree.
    
            Returns
            -------
            max_error
                Maximum error between exact and approximate solution.
    
            """
            grid, exact = calculate_exact_solution(
                self._mesh[2:-2], self._cell_len, self._wave_speed, self._final_time,
                self._interval_len, self._quadrature, self._init_cond)
            approx = calculate_approximate_solution(
                projection[:, 1:-1], self._quadrature.get_eval_points(), self._polynomial_degree,
                self._basis.get_basis_vector())
    
            pointwise_error = np.abs(exact-approx)
            max_error = np.max(pointwise_error)
    
            plot_solution_and_approx(grid, exact, approx, self._colors['exact'], self._colors['approx'])
            plt.legend(['Exact', 'Approx'])
            plot_semilog_error(grid, pointwise_error)
            plot_error(grid, exact, approx)
    
            return max_error
    
    
    class NoDetection(TroubledCellDetector):
        """Class without any troubled-cell detection.
    
        Methods
        -------
        get_cells(projection)
            Returns no troubled cells.
    
        """
        def get_cells(self, projection):
            """Returns no troubled cells.
    
            Parameters
            ----------
            projection : np.array
                Matrix of projection for each polynomial degree.
    
            """
            return []
    
    
    class ArtificialNeuralNetwork(TroubledCellDetector):
        """Class for troubled-cell detection using ANNs.
    
        Attributes
        ----------
        stencil_length : int
            Size of input data array.
        model : ANNModel object
            ANN model instance for evaluation.
    
        Methods
        -------
        get_cells(projection)
            Calculates troubled cells in a given projection.
    
    
        """
        def _reset(self, config):
            """Resets instance variables.
    
            Parameters
            ----------
            config : dict
                Additional parameters for detector.
    
            """
            super()._reset(config)
    
            self._stencil_len = config.pop('stencil_len', 3)
            self._model = config.pop('model', 'ThreeLayerReLu')
            self._model_config = config.pop('model_config', {
                'input_size': self._stencil_len+2, 'first_hidden_size': 8, 'second_hidden_size': 4,
                'output_size': 2, 'activation_function': 'Softmax', 'activation_config': {'dim': 1}})
            model_state = config.pop('model_state', 'Snakemake-Test/trained models/model__Adam.pt')
    
            if not hasattr(ANN_Model, self._model):
                raise ValueError('Invalid model: "%s"' % self._model)
            self._model = getattr(ANN_Model, self._model)(self._model_config)
    
            # Load the model state and set it to evaluation mode
            self._model.load_state_dict(torch.load(str(model_state)))
            self._model.eval()
    
        def get_cells(self, projection):
            """Calculates troubled cells in a given projection.
    
            Parameters
            ----------
            projection : np.array
                Matrix of projection for each polynomial degree.
    
            Returns
            -------
            list
                List of indices for all detected troubled cells.
    
            """
            # Reset ghost cells to adjust for stencil length
            num_ghost_cells = self._stencil_len//2
            projection = projection[:, 1:-1]
            projection = np.concatenate((projection[:, -num_ghost_cells:], projection,
                                         projection[:, :num_ghost_cells]),
                                        axis=1)
    
            # Calculate input data depending on stencil length
            input_data = torch.from_numpy(np.vstack([self.calculate_cell_average_and_reconstructions(
                projection[:, cell-num_ghost_cells:cell+num_ghost_cells+1], self._stencil_len)
                for cell in range(num_ghost_cells, len(projection[0])-num_ghost_cells)]))
    
            # Determine troubled cells
            model_output = torch.argmax(self._model(input_data.float()), dim=1)
            return [cell for cell in range(len(model_output))
                    if model_output[cell] == torch.tensor([1])]
    
    
    class WaveletDetector(TroubledCellDetector):
        """Class for troubled-cell detection based on wavelet coefficients.
    
        ???
    
        """
        def _check_colors(self):
            """Checks plot colors.
    
            Checks whether colors for plots were given and sets them if required.
    
            """
            self._colors['fine_exact'] = self._colors.get('fine_exact', 'k-.')
            self._colors['fine_approx'] = self._colors.get('fine_approx', 'b-.')
            self._colors['coarse_exact'] = self._colors.get('coarse_exact', 'k-')
            self._colors['coarse_approx'] = self._colors.get('coarse_approx', 'y')
    
        def _reset(self, config):
            """Resets instance variables.
    
            Parameters
            ----------
            config : dict
                Additional parameters for detector.
    
            """
            super()._reset(config)
    
            # Set additional necessary parameter
            self._num_coarse_grid_cells = self._num_grid_cells//2
            self._wavelet_projection_left, self._wavelet_projection_right \
                = self._basis.get_multiwavelet_projections()
    
        def get_cells(self, projection):
            """Calculates troubled cells in a given projection.
    
            Parameters
            ----------
            projection : np.array
                Matrix of projection for each polynomial degree.
    
            Returns
            -------
            list
                List of indices for all detected troubled cells.
    
            """
            multiwavelet_coeffs = self._calculate_wavelet_coeffs(projection[:, 1: -1])
            return self._get_cells(multiwavelet_coeffs, projection)
    
        def _calculate_wavelet_coeffs(self, projection):
            """Calculates wavelet coefficients used for projection to coarser grid.
    
            Parameters
            ----------
            projection : np.array
                Matrix of projection for each polynomial degree.
    
            Returns
            -------
            np.array
                Matrix of wavelet coefficients.
    
            """
            output_matrix = []
            for i in range(self._num_coarse_grid_cells):
                new_entry = 0.5*(projection[:, 2*i] @ self._wavelet_projection_left
                                 + projection[:, 2*i+1] @ self._wavelet_projection_right)
                output_matrix.append(new_entry)
            return np.transpose(np.array(output_matrix))
    
        def _get_cells(self, multiwavelet_coeffs, projection):
            """Calculates troubled cells using multiwavelet coefficients.
    
            Parameters
            ----------
            multiwavelet_coeffs : np.array
                Matrix of multiwavelet coefficients.
            projection : np.array
                Matrix of projection for each polynomial degree.
    
            Returns
            -------
            list
                List of indices for all detected troubled cells.
    
            """
            return []
    
        def plot_results(self, projection, troubled_cell_history, time_history):
            """Plots results and troubled cells of a projection given its evaluation history.
    
            Plots results on coarse and fine grid, errors, troubled cells, and coefficient details.
    
            Parameters
            ----------
            projection : np.array
                Matrix of projection for each polynomial degree.
            troubled_cell_history : list
                List of detected troubled cells for each time step.
            time_history:
                List of value of each time step.
    
            """
            multiwavelet_coeffs = self._calculate_wavelet_coeffs(projection)
            coarse_projection = self._calculate_coarse_projection(projection)
            plot_details(projection[:, 1:-1], self._mesh[2:-2], coarse_projection,
                         self._basis.get_basis_vector(), self._basis.get_wavelet_vector(),
                         multiwavelet_coeffs, self._num_coarse_grid_cells,
                         self._polynomial_degree)
            super().plot_results(projection, troubled_cell_history, time_history)
    
        def _calculate_coarse_projection(self, projection):
            """Calculates coarse projection.
    
            Parameters
            ----------
            projection : np.array
                Matrix of projection for each polynomial degree.
    
            Returns
            -------
            np.array
                Matrix of projection on coarse grid for each polynomial degree.
    
            """
            basis_projection_left, basis_projection_right = self._basis.get_basis_projections()
    
            # Remove ghost cells
            projection = projection[:, 1:-1]
    
            # Calculate projection on coarse mesh
            output_matrix = []
            for i in range(self._num_coarse_grid_cells):
                new_entry = 0.5 * (projection[:, 2 * i] @ basis_projection_left
                                   + projection[:, 2 * i + 1] @ basis_projection_right)
                output_matrix.append(new_entry)
            coarse_projection = np.transpose(np.array(output_matrix))
    
            return coarse_projection
    
        def _plot_mesh(self, projection):
            """Plots exact and approximate solution as well as errors.
    
            Parameters
            ----------
            projection : np.array
                Matrix of projection for each polynomial degree.
    
            Returns
            -------
            max_error
                Maximum error between exact and approximate solution.
    
            """
    
            grid, exact = calculate_exact_solution(
                self._mesh[2:-2], self._cell_len, self._wave_speed, self._final_time,
                self._interval_len, self._quadrature, self._init_cond)
            approx = calculate_approximate_solution(
                projection[:, 1:-1], self._quadrature.get_eval_points(), self._polynomial_degree,
                self._basis.get_basis_vector())
    
            pointwise_error = np.abs(exact-approx)
            max_error = np.max(pointwise_error)
    
            self._plot_coarse_mesh(projection)
            plot_solution_and_approx(grid, exact, approx, self._colors['fine_exact'],
                                     self._colors['fine_approx'])
            plt.legend(['Exact (Coarse)', 'Approx (Coarse)', 'Exact (Fine)', 'Approx (Fine)'])
            plot_semilog_error(grid, pointwise_error)
            plot_error(grid, exact, approx)
    
            return max_error
    
        def _plot_coarse_mesh(self, projection):
            """Plots exact and approximate solution as well as errors for a coarse projection.
    
            Parameters
            ----------
            projection : np.array
                Matrix of projection for each polynomial degree.
    
            """
            coarse_cell_len = 2*self._cell_len
            coarse_mesh = np.arange(self._left_bound - (0.5*coarse_cell_len),
                                    self._right_bound + (1.5*coarse_cell_len),
                                    coarse_cell_len)
    
            coarse_projection = self._calculate_coarse_projection(projection)
    
            # Plot exact and approximate solutions for coarse mesh
            grid, exact = calculate_exact_solution(
                coarse_mesh[1:-1], coarse_cell_len, self._wave_speed, self._final_time,
                self._interval_len, self._quadrature, self._init_cond)
            approx = calculate_approximate_solution(
                coarse_projection, self._quadrature.get_eval_points(), self._polynomial_degree,
                self._basis.get_basis_vector())
            plot_solution_and_approx(
                grid, exact, approx, self._colors['coarse_exact'], self._colors['coarse_approx'])
    
    
    class Boxplot(WaveletDetector):
        """Class for troubled-cell detection based on Boxplots.
    
        Attributes
        ----------
        fold_len : int
            Length of folds considered in one Boxplot.
        whisker_len : int
            Length of Boxplot whiskers.
    
        """
        def _reset(self, config):
            """Resets instance variables.
    
            Parameters
            ----------
            config : dict
                Additional parameters for detector.
    
            """
            super()._reset(config)
    
            # Unpack necessary configurations
            self._fold_len = config.pop('fold_len', 16)
            self._whisker_len = config.pop('whisker_len', 3)
    
        def _get_cells(self, multiwavelet_coeffs, projection):
            """Calculates troubled cells using multiwavelet coefficients.
    
            Parameters
            ----------
            multiwavelet_coeffs : np.array
                Matrix of multiwavelet coefficients.
            projection : np.array
                Matrix of projection for each polynomial degree.
    
            Returns
            -------
            list
                List of indices for all detected troubled cells.
    
            """
            indexed_coeffs = [[multiwavelet_coeffs[0, i], i]for i in range(self._num_coarse_grid_cells)]
    
            if self._num_coarse_grid_cells < self._fold_len:
                self._fold_len = self._num_coarse_grid_cells
    
            num_folds = self._num_coarse_grid_cells//self._fold_len
            troubled_cells = []
    
            for fold in range(num_folds):
                sorted_fold = sorted(indexed_coeffs[fold * self._fold_len:(fold+1) * self._fold_len])
    
                boundary_index = self._fold_len//4
                balance_factor = self._fold_len/4.0 - boundary_index
    
                first_quartile = (1-balance_factor) * sorted_fold[boundary_index-1][0] \
                    + balance_factor * sorted_fold[boundary_index][0]
                third_quartile = (1-balance_factor) * sorted_fold[3*boundary_index-1][0]\
                    + balance_factor * sorted_fold[3*boundary_index][0]
    
                lower_bound = first_quartile - self._whisker_len * (third_quartile-first_quartile)
                upper_bound = third_quartile + self._whisker_len * (third_quartile-first_quartile)
    
                # Check for lower extreme outliers and add respective cells
                for cell in sorted_fold:
                    if cell[0] < lower_bound:
                        troubled_cells.append(cell[1])
                    else:
                        break
    
                # Check for lower extreme outliers and add respective cells
                for cell in sorted_fold[::-1][:]:
                    if cell[0] > upper_bound:
                        troubled_cells.append(cell[1])
                    else:
                        break
    
            return sorted(troubled_cells)
    
    
    class Theoretical(WaveletDetector):
        """"Class for troubled-cell detection based on the projection averages and a cutoff factor.
    
        Attributes
        ----------
        cutoff_factor : float
            Cutoff factor above which a cell is considered troubled.
    
        """
        def _reset(self, config):
            """Resets instance variables.
    
            Parameters
            ----------
            config : dict
                Additional parameters for detector.
    
            """
            super()._reset(config)
    
            # Unpack necessary configurations
            self._cutoff_factor = config.pop('cutoff_factor', np.sqrt(2) * self._cell_len)
            # comment to line above: or 2 or 3
    
        def _get_cells(self, multiwavelet_coeffs, projection):
            """Calculates troubled cells using multiwavelet coefficients.
    
            Parameters
            ----------
            multiwavelet_coeffs : np.array
                Matrix of multiwavelet coefficients.
            projection : np.array
                Matrix of projection for each polynomial degree.
    
            Returns
            -------
            list
                List of indices for all detected troubled cells.
    
            """
            troubled_cells = []
            max_avg = np.sqrt(0.5) * max(1, max(abs(projection[0][cell+1])
                                                for cell in range(self._num_coarse_grid_cells)))
    
            for cell in range(self._num_coarse_grid_cells):
                if self._is_troubled_cell(multiwavelet_coeffs, cell, max_avg):
                    troubled_cells.append(cell)
    
            return troubled_cells
    
        def _is_troubled_cell(self, multiwavelet_coeffs, cell, max_avg):
            """Checks whether a cell is troubled.
    
            Parameters
            ----------
            multiwavelet_coeffs : np.array
                Matrix of multiwavelet coefficients.
            cell : int
                Index of cell.
            max_avg
                Maximum average of projection.
    
            Returns
            -------
            boolean
                Flag whether cell is troubled.
    
            """
            max_value = max(abs(multiwavelet_coeffs[degree][cell])
                            for degree in range(self._polynomial_degree+1))/max_avg
            eps = self._cutoff_factor / (self._cell_len*self._num_coarse_grid_cells*2)
    
            return max_value > eps