Mercurial > repos > bgruening > sklearn_train_test_eval
view ml_visualization_ex.py @ 6:bde62c243b7e draft
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
author | bgruening |
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date | Wed, 22 Jan 2020 07:38:53 -0500 |
parents | 2b8406e74f9e |
children | 1b68acd5ac08 |
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import argparse import json import matplotlib import matplotlib.pyplot as plt import numpy as np import os import pandas as pd import plotly import plotly.graph_objs as go import warnings from keras.models import model_from_json from keras.utils import plot_model from sklearn.feature_selection.base import SelectorMixin from sklearn.metrics import precision_recall_curve, average_precision_score from sklearn.metrics import roc_curve, auc from sklearn.pipeline import Pipeline from galaxy_ml.utils import load_model, read_columns, SafeEval safe_eval = SafeEval() # plotly default colors default_colors = [ '#1f77b4', # muted blue '#ff7f0e', # safety orange '#2ca02c', # cooked asparagus green '#d62728', # brick red '#9467bd', # muted purple '#8c564b', # chestnut brown '#e377c2', # raspberry yogurt pink '#7f7f7f', # middle gray '#bcbd22', # curry yellow-green '#17becf' # blue-teal ] def visualize_pr_curve_plotly(df1, df2, pos_label, title=None): """output pr-curve in html using plotly df1 : pandas.DataFrame Containing y_true df2 : pandas.DataFrame Containing y_score pos_label : None The label of positive class title : str Plot title """ data = [] for idx in range(df1.shape[1]): y_true = df1.iloc[:, idx].values y_score = df2.iloc[:, idx].values precision, recall, _ = precision_recall_curve( y_true, y_score, pos_label=pos_label) ap = average_precision_score( y_true, y_score, pos_label=pos_label or 1) trace = go.Scatter( x=recall, y=precision, mode='lines', marker=dict( color=default_colors[idx % len(default_colors)] ), name='%s (area = %.3f)' % (idx, ap) ) data.append(trace) layout = go.Layout( xaxis=dict( title='Recall', linecolor='lightslategray', linewidth=1 ), yaxis=dict( title='Precision', linecolor='lightslategray', linewidth=1 ), title=dict( text=title or 'Precision-Recall Curve', x=0.5, y=0.92, xanchor='center', yanchor='top' ), font=dict( family="sans-serif", size=11 ), # control backgroud colors plot_bgcolor='rgba(255,255,255,0)' ) """ legend=dict( x=0.95, y=0, traceorder="normal", font=dict( family="sans-serif", size=9, color="black" ), bgcolor="LightSteelBlue", bordercolor="Black", borderwidth=2 ),""" fig = go.Figure(data=data, layout=layout) plotly.offline.plot(fig, filename="output.html", auto_open=False) # to be discovered by `from_work_dir` os.rename('output.html', 'output') def visualize_pr_curve_matplotlib(df1, df2, pos_label, title=None): """visualize pr-curve using matplotlib and output svg image """ backend = matplotlib.get_backend() if "inline" not in backend: matplotlib.use("SVG") plt.style.use('seaborn-colorblind') plt.figure() for idx in range(df1.shape[1]): y_true = df1.iloc[:, idx].values y_score = df2.iloc[:, idx].values precision, recall, _ = precision_recall_curve( y_true, y_score, pos_label=pos_label) ap = average_precision_score( y_true, y_score, pos_label=pos_label or 1) plt.step(recall, precision, 'r-', color="black", alpha=0.3, lw=1, where="post", label='%s (area = %.3f)' % (idx, ap)) plt.xlim([0.0, 1.0]) plt.ylim([0.0, 1.05]) plt.xlabel('Recall') plt.ylabel('Precision') title = title or 'Precision-Recall Curve' plt.title(title) folder = os.getcwd() plt.savefig(os.path.join(folder, "output.svg"), format="svg") os.rename(os.path.join(folder, "output.svg"), os.path.join(folder, "output")) def visualize_roc_curve_plotly(df1, df2, pos_label, drop_intermediate=True, title=None): """output roc-curve in html using plotly df1 : pandas.DataFrame Containing y_true df2 : pandas.DataFrame Containing y_score pos_label : None The label of positive class drop_intermediate : bool Whether to drop some suboptimal thresholds title : str Plot title """ data = [] for idx in range(df1.shape[1]): y_true = df1.iloc[:, idx].values y_score = df2.iloc[:, idx].values fpr, tpr, _ = roc_curve(y_true, y_score, pos_label=pos_label, drop_intermediate=drop_intermediate) roc_auc = auc(fpr, tpr) trace = go.Scatter( x=fpr, y=tpr, mode='lines', marker=dict( color=default_colors[idx % len(default_colors)] ), name='%s (area = %.3f)' % (idx, roc_auc) ) data.append(trace) layout = go.Layout( xaxis=dict( title='False Positive Rate', linecolor='lightslategray', linewidth=1 ), yaxis=dict( title='True Positive Rate', linecolor='lightslategray', linewidth=1 ), title=dict( text=title or 'Receiver Operating Characteristic (ROC) Curve', x=0.5, y=0.92, xanchor='center', yanchor='top' ), font=dict( family="sans-serif", size=11 ), # control backgroud colors plot_bgcolor='rgba(255,255,255,0)' ) """ # legend=dict( # x=0.95, # y=0, # traceorder="normal", # font=dict( # family="sans-serif", # size=9, # color="black" # ), # bgcolor="LightSteelBlue", # bordercolor="Black", # borderwidth=2 # ), """ fig = go.Figure(data=data, layout=layout) plotly.offline.plot(fig, filename="output.html", auto_open=False) # to be discovered by `from_work_dir` os.rename('output.html', 'output') def visualize_roc_curve_matplotlib(df1, df2, pos_label, drop_intermediate=True, title=None): """visualize roc-curve using matplotlib and output svg image """ backend = matplotlib.get_backend() if "inline" not in backend: matplotlib.use("SVG") plt.style.use('seaborn-colorblind') plt.figure() for idx in range(df1.shape[1]): y_true = df1.iloc[:, idx].values y_score = df2.iloc[:, idx].values fpr, tpr, _ = roc_curve(y_true, y_score, pos_label=pos_label, drop_intermediate=drop_intermediate) roc_auc = auc(fpr, tpr) plt.step(fpr, tpr, 'r-', color="black", alpha=0.3, lw=1, where="post", label='%s (area = %.3f)' % (idx, roc_auc)) plt.xlim([0.0, 1.0]) plt.ylim([0.0, 1.05]) plt.xlabel('False Positive Rate') plt.ylabel('True Positive Rate') title = title or 'Receiver Operating Characteristic (ROC) Curve' plt.title(title) folder = os.getcwd() plt.savefig(os.path.join(folder, "output.svg"), format="svg") os.rename(os.path.join(folder, "output.svg"), os.path.join(folder, "output")) def main(inputs, infile_estimator=None, infile1=None, infile2=None, outfile_result=None, outfile_object=None, groups=None, ref_seq=None, intervals=None, targets=None, fasta_path=None, model_config=None): """ Parameter --------- inputs : str File path to galaxy tool parameter infile_estimator : str, default is None File path to estimator infile1 : str, default is None File path to dataset containing features or true labels. infile2 : str, default is None File path to dataset containing target values or predicted probabilities. outfile_result : str, default is None File path to save the results, either cv_results or test result outfile_object : str, default is None File path to save searchCV object groups : str, default is None File path to dataset containing groups labels ref_seq : str, default is None File path to dataset containing genome sequence file intervals : str, default is None File path to dataset containing interval file targets : str, default is None File path to dataset compressed target bed file fasta_path : str, default is None File path to dataset containing fasta file model_config : str, default is None File path to dataset containing JSON config for neural networks """ warnings.simplefilter('ignore') with open(inputs, 'r') as param_handler: params = json.load(param_handler) title = params['plotting_selection']['title'].strip() plot_type = params['plotting_selection']['plot_type'] plot_format = params['plotting_selection']['plot_format'] if plot_type == 'feature_importances': with open(infile_estimator, 'rb') as estimator_handler: estimator = load_model(estimator_handler) column_option = (params['plotting_selection'] ['column_selector_options'] ['selected_column_selector_option']) if column_option in ['by_index_number', 'all_but_by_index_number', 'by_header_name', 'all_but_by_header_name']: c = (params['plotting_selection'] ['column_selector_options']['col1']) else: c = None _, input_df = read_columns(infile1, c=c, c_option=column_option, return_df=True, sep='\t', header='infer', parse_dates=True) feature_names = input_df.columns.values if isinstance(estimator, Pipeline): for st in estimator.steps[:-1]: if isinstance(st[-1], SelectorMixin): mask = st[-1].get_support() feature_names = feature_names[mask] estimator = estimator.steps[-1][-1] if hasattr(estimator, 'coef_'): coefs = estimator.coef_ else: coefs = getattr(estimator, 'feature_importances_', None) if coefs is None: raise RuntimeError('The classifier does not expose ' '"coef_" or "feature_importances_" ' 'attributes') threshold = params['plotting_selection']['threshold'] if threshold is not None: mask = (coefs > threshold) | (coefs < -threshold) coefs = coefs[mask] feature_names = feature_names[mask] # sort indices = np.argsort(coefs)[::-1] trace = go.Bar(x=feature_names[indices], y=coefs[indices]) layout = go.Layout(title=title or "Feature Importances") fig = go.Figure(data=[trace], layout=layout) plotly.offline.plot(fig, filename="output.html", auto_open=False) # to be discovered by `from_work_dir` os.rename('output.html', 'output') return 0 elif plot_type in ('pr_curve', 'roc_curve'): df1 = pd.read_csv(infile1, sep='\t', header='infer') df2 = pd.read_csv(infile2, sep='\t', header='infer').astype(np.float32) minimum = params['plotting_selection']['report_minimum_n_positives'] # filter out columns whose n_positives is beblow the threhold if minimum: mask = df1.sum(axis=0) >= minimum df1 = df1.loc[:, mask] df2 = df2.loc[:, mask] pos_label = params['plotting_selection']['pos_label'].strip() \ or None if plot_type == 'pr_curve': if plot_format == 'plotly_html': visualize_pr_curve_plotly(df1, df2, pos_label, title=title) else: visualize_pr_curve_matplotlib(df1, df2, pos_label, title) else: # 'roc_curve' drop_intermediate = (params['plotting_selection'] ['drop_intermediate']) if plot_format == 'plotly_html': visualize_roc_curve_plotly(df1, df2, pos_label, drop_intermediate=drop_intermediate, title=title) else: visualize_roc_curve_matplotlib( df1, df2, pos_label, drop_intermediate=drop_intermediate, title=title) return 0 elif plot_type == 'rfecv_gridscores': input_df = pd.read_csv(infile1, sep='\t', header='infer') scores = input_df.iloc[:, 0] steps = params['plotting_selection']['steps'].strip() steps = safe_eval(steps) data = go.Scatter( x=list(range(len(scores))), y=scores, text=[str(_) for _ in steps] if steps else None, mode='lines' ) layout = go.Layout( xaxis=dict(title="Number of features selected"), yaxis=dict(title="Cross validation score"), title=dict( text=title or None, x=0.5, y=0.92, xanchor='center', yanchor='top' ), font=dict( family="sans-serif", size=11 ), # control backgroud colors plot_bgcolor='rgba(255,255,255,0)' ) """ # legend=dict( # x=0.95, # y=0, # traceorder="normal", # font=dict( # family="sans-serif", # size=9, # color="black" # ), # bgcolor="LightSteelBlue", # bordercolor="Black", # borderwidth=2 # ), """ fig = go.Figure(data=[data], layout=layout) plotly.offline.plot(fig, filename="output.html", auto_open=False) # to be discovered by `from_work_dir` os.rename('output.html', 'output') return 0 elif plot_type == 'learning_curve': input_df = pd.read_csv(infile1, sep='\t', header='infer') plot_std_err = params['plotting_selection']['plot_std_err'] data1 = go.Scatter( x=input_df['train_sizes_abs'], y=input_df['mean_train_scores'], error_y=dict( array=input_df['std_train_scores'] ) if plot_std_err else None, mode='lines', name="Train Scores", ) data2 = go.Scatter( x=input_df['train_sizes_abs'], y=input_df['mean_test_scores'], error_y=dict( array=input_df['std_test_scores'] ) if plot_std_err else None, mode='lines', name="Test Scores", ) layout = dict( xaxis=dict( title='No. of samples' ), yaxis=dict( title='Performance Score' ), # modify these configurations to customize image title=dict( text=title or 'Learning Curve', x=0.5, y=0.92, xanchor='center', yanchor='top' ), font=dict( family="sans-serif", size=11 ), # control backgroud colors plot_bgcolor='rgba(255,255,255,0)' ) """ # legend=dict( # x=0.95, # y=0, # traceorder="normal", # font=dict( # family="sans-serif", # size=9, # color="black" # ), # bgcolor="LightSteelBlue", # bordercolor="Black", # borderwidth=2 # ), """ fig = go.Figure(data=[data1, data2], layout=layout) plotly.offline.plot(fig, filename="output.html", auto_open=False) # to be discovered by `from_work_dir` os.rename('output.html', 'output') return 0 elif plot_type == 'keras_plot_model': with open(model_config, 'r') as f: model_str = f.read() model = model_from_json(model_str) plot_model(model, to_file="output.png") os.rename('output.png', 'output') return 0 # save pdf file to disk # fig.write_image("image.pdf", format='pdf') # fig.write_image("image.pdf", format='pdf', width=340*2, height=226*2) if __name__ == '__main__': aparser = argparse.ArgumentParser() aparser.add_argument("-i", "--inputs", dest="inputs", required=True) aparser.add_argument("-e", "--estimator", dest="infile_estimator") aparser.add_argument("-X", "--infile1", dest="infile1") aparser.add_argument("-y", "--infile2", dest="infile2") aparser.add_argument("-O", "--outfile_result", dest="outfile_result") aparser.add_argument("-o", "--outfile_object", dest="outfile_object") aparser.add_argument("-g", "--groups", dest="groups") aparser.add_argument("-r", "--ref_seq", dest="ref_seq") aparser.add_argument("-b", "--intervals", dest="intervals") aparser.add_argument("-t", "--targets", dest="targets") aparser.add_argument("-f", "--fasta_path", dest="fasta_path") aparser.add_argument("-c", "--model_config", dest="model_config") args = aparser.parse_args() main(args.inputs, args.infile_estimator, args.infile1, args.infile2, args.outfile_result, outfile_object=args.outfile_object, groups=args.groups, ref_seq=args.ref_seq, intervals=args.intervals, targets=args.targets, fasta_path=args.fasta_path, model_config=args.model_config)