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annotate main.py @ 0:3dc3c7443c8e draft

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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/tabpfn commit bce8b0297bff54e7e29a6106a7f385fd1318c0aa
author bgruening
date Wed, 15 Jan 2025 12:33:49 +0000
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children c081e5e1d7ce
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3dc3c7443c8e planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/tabpfn commit bce8b0297bff54e7e29a6106a7f385fd1318c0aa
bgruening
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1 """
3dc3c7443c8e planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/tabpfn commit bce8b0297bff54e7e29a6106a7f385fd1318c0aa
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2 Tabular data prediction using TabPFN
3dc3c7443c8e planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/tabpfn commit bce8b0297bff54e7e29a6106a7f385fd1318c0aa
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3 """
3dc3c7443c8e planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/tabpfn commit bce8b0297bff54e7e29a6106a7f385fd1318c0aa
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4 import argparse
3dc3c7443c8e planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/tabpfn commit bce8b0297bff54e7e29a6106a7f385fd1318c0aa
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5 import time
3dc3c7443c8e planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/tabpfn commit bce8b0297bff54e7e29a6106a7f385fd1318c0aa
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6
3dc3c7443c8e planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/tabpfn commit bce8b0297bff54e7e29a6106a7f385fd1318c0aa
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7 import matplotlib.pyplot as plt
3dc3c7443c8e planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/tabpfn commit bce8b0297bff54e7e29a6106a7f385fd1318c0aa
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8 import pandas as pd
3dc3c7443c8e planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/tabpfn commit bce8b0297bff54e7e29a6106a7f385fd1318c0aa
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9 from sklearn.metrics import accuracy_score, average_precision_score, precision_recall_curve
3dc3c7443c8e planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/tabpfn commit bce8b0297bff54e7e29a6106a7f385fd1318c0aa
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10 from tabpfn import TabPFNClassifier
3dc3c7443c8e planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/tabpfn commit bce8b0297bff54e7e29a6106a7f385fd1318c0aa
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3dc3c7443c8e planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/tabpfn commit bce8b0297bff54e7e29a6106a7f385fd1318c0aa
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12
3dc3c7443c8e planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/tabpfn commit bce8b0297bff54e7e29a6106a7f385fd1318c0aa
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13 def separate_features_labels(data):
3dc3c7443c8e planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/tabpfn commit bce8b0297bff54e7e29a6106a7f385fd1318c0aa
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14 df = pd.read_csv(data, sep="\t")
3dc3c7443c8e planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/tabpfn commit bce8b0297bff54e7e29a6106a7f385fd1318c0aa
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15 labels = df.iloc[:, -1]
3dc3c7443c8e planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/tabpfn commit bce8b0297bff54e7e29a6106a7f385fd1318c0aa
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16 features = df.iloc[:, :-1]
3dc3c7443c8e planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/tabpfn commit bce8b0297bff54e7e29a6106a7f385fd1318c0aa
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17 return features, labels
3dc3c7443c8e planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/tabpfn commit bce8b0297bff54e7e29a6106a7f385fd1318c0aa
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3dc3c7443c8e planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/tabpfn commit bce8b0297bff54e7e29a6106a7f385fd1318c0aa
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3dc3c7443c8e planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/tabpfn commit bce8b0297bff54e7e29a6106a7f385fd1318c0aa
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20 def train_evaluate(args):
3dc3c7443c8e planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/tabpfn commit bce8b0297bff54e7e29a6106a7f385fd1318c0aa
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21 """
3dc3c7443c8e planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/tabpfn commit bce8b0297bff54e7e29a6106a7f385fd1318c0aa
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22 Train TabPFN
3dc3c7443c8e planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/tabpfn commit bce8b0297bff54e7e29a6106a7f385fd1318c0aa
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23 """
3dc3c7443c8e planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/tabpfn commit bce8b0297bff54e7e29a6106a7f385fd1318c0aa
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24 tr_features, tr_labels = separate_features_labels(args["train_data"])
3dc3c7443c8e planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/tabpfn commit bce8b0297bff54e7e29a6106a7f385fd1318c0aa
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25 te_features, te_labels = separate_features_labels(args["test_data"])
3dc3c7443c8e planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/tabpfn commit bce8b0297bff54e7e29a6106a7f385fd1318c0aa
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26 classifier = TabPFNClassifier(device='cpu')
3dc3c7443c8e planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/tabpfn commit bce8b0297bff54e7e29a6106a7f385fd1318c0aa
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27 s_time = time.time()
3dc3c7443c8e planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/tabpfn commit bce8b0297bff54e7e29a6106a7f385fd1318c0aa
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28 classifier.fit(tr_features, tr_labels)
3dc3c7443c8e planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/tabpfn commit bce8b0297bff54e7e29a6106a7f385fd1318c0aa
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29 e_time = time.time()
3dc3c7443c8e planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/tabpfn commit bce8b0297bff54e7e29a6106a7f385fd1318c0aa
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30 print("Time taken by TabPFN for training: {} seconds".format(e_time - s_time))
3dc3c7443c8e planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/tabpfn commit bce8b0297bff54e7e29a6106a7f385fd1318c0aa
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31 y_eval = classifier.predict(te_features)
3dc3c7443c8e planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/tabpfn commit bce8b0297bff54e7e29a6106a7f385fd1318c0aa
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32 print('Accuracy', accuracy_score(te_labels, y_eval))
3dc3c7443c8e planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/tabpfn commit bce8b0297bff54e7e29a6106a7f385fd1318c0aa
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33 pred_probas_test = classifier.predict_proba(te_features)
3dc3c7443c8e planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/tabpfn commit bce8b0297bff54e7e29a6106a7f385fd1318c0aa
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34 te_features["predicted_labels"] = y_eval
3dc3c7443c8e planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/tabpfn commit bce8b0297bff54e7e29a6106a7f385fd1318c0aa
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35 te_features.to_csv("output_predicted_data", sep="\t", index=None)
3dc3c7443c8e planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/tabpfn commit bce8b0297bff54e7e29a6106a7f385fd1318c0aa
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36 precision, recall, thresholds = precision_recall_curve(te_labels, pred_probas_test[:, 1])
3dc3c7443c8e planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/tabpfn commit bce8b0297bff54e7e29a6106a7f385fd1318c0aa
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37 average_precision = average_precision_score(te_labels, pred_probas_test[:, 1])
3dc3c7443c8e planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/tabpfn commit bce8b0297bff54e7e29a6106a7f385fd1318c0aa
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38 plt.figure(figsize=(8, 6))
3dc3c7443c8e planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/tabpfn commit bce8b0297bff54e7e29a6106a7f385fd1318c0aa
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39 plt.plot(recall, precision, label=f'Precision-Recall Curve (AP={average_precision:.2f})')
3dc3c7443c8e planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/tabpfn commit bce8b0297bff54e7e29a6106a7f385fd1318c0aa
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40 plt.xlabel('Recall')
3dc3c7443c8e planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/tabpfn commit bce8b0297bff54e7e29a6106a7f385fd1318c0aa
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41 plt.ylabel('Precision')
3dc3c7443c8e planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/tabpfn commit bce8b0297bff54e7e29a6106a7f385fd1318c0aa
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42 plt.title('Precision-Recall Curve')
3dc3c7443c8e planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/tabpfn commit bce8b0297bff54e7e29a6106a7f385fd1318c0aa
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43 plt.legend(loc='lower left')
3dc3c7443c8e planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/tabpfn commit bce8b0297bff54e7e29a6106a7f385fd1318c0aa
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44 plt.grid(True)
3dc3c7443c8e planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/tabpfn commit bce8b0297bff54e7e29a6106a7f385fd1318c0aa
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45 plt.savefig("output_prec_recall_curve.png")
3dc3c7443c8e planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/tabpfn commit bce8b0297bff54e7e29a6106a7f385fd1318c0aa
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47
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48 if __name__ == "__main__":
3dc3c7443c8e planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/tabpfn commit bce8b0297bff54e7e29a6106a7f385fd1318c0aa
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49 arg_parser = argparse.ArgumentParser()
3dc3c7443c8e planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/tabpfn commit bce8b0297bff54e7e29a6106a7f385fd1318c0aa
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50 arg_parser.add_argument("-trdata", "--train_data", required=True, help="Train data")
3dc3c7443c8e planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/tabpfn commit bce8b0297bff54e7e29a6106a7f385fd1318c0aa
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51 arg_parser.add_argument("-tedata", "--test_data", required=True, help="Test data")
3dc3c7443c8e planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/tabpfn commit bce8b0297bff54e7e29a6106a7f385fd1318c0aa
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52 # get argument values
3dc3c7443c8e planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/tabpfn commit bce8b0297bff54e7e29a6106a7f385fd1318c0aa
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53 args = vars(arg_parser.parse_args())
3dc3c7443c8e planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/tabpfn commit bce8b0297bff54e7e29a6106a7f385fd1318c0aa
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54 train_evaluate(args)