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# -*- coding: utf-8 -*- |
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"""model_selection_old.ipynb |
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Automatically generated by Colaboratory. |
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Original file is located at |
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https://colab.research.google.com/drive/1uVkl7scNgEPrimX8ks6iEC5ijuhB8L_D |
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**This script demonstrates how to compute a graph kernel.** |
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--- |
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**0. Install `graphkit-learn`.** |
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""" |
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"""**1. Perform model seletion and classification.**""" |
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from gklearn.utils import model_selection_for_precomputed_kernel |
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from gklearn.kernels import untilhpathkernel |
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import numpy as np |
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# Set parameters. |
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datafile = '../../../datasets/MUTAG/MUTAG_A.txt' |
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param_grid_precomputed = {'depth': np.linspace(1, 10, 10), |
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'k_func': ['MinMax', 'tanimoto'], |
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'compute_method': ['trie']} |
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param_grid = {'C': np.logspace(-10, 10, num=41, base=10)} |
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# Perform model selection and classification. |
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model_selection_for_precomputed_kernel( |
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datafile, # The path of dataset file. |
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untilhpathkernel, # The graph kernel used for estimation. |
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param_grid_precomputed, # The parameters used to compute gram matrices. |
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param_grid, # The penelty Parameters used for penelty items. |
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'classification', # Or 'regression'. |
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NUM_TRIALS=30, # The number of the random trials of the outer CV loop. |
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ds_name='MUTAG', # The name of the dataset. |
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n_jobs=1, |
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verbose=True) |