Mercurial > repos > bgruening > sklearn_train_test_split
annotate README.rst @ 11:5da2217cd788 draft
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
author | bgruening |
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date | Wed, 09 Aug 2023 13:33:25 +0000 |
parents | 0985b0dd6f1a |
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0985b0dd6f1a
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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1 Galaxy wrapper for scikit-learn library |
0985b0dd6f1a
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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2 *************************************** |
0985b0dd6f1a
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3 |
0985b0dd6f1a
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4 Contents |
0985b0dd6f1a
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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5 ======== |
0985b0dd6f1a
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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6 |
0985b0dd6f1a
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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7 - `What is scikit-learn?`_ |
0985b0dd6f1a
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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8 - `Scikit-learn main package groups`_ |
0985b0dd6f1a
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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9 - `Tools offered by this wrapper`_ |
0985b0dd6f1a
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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10 |
0985b0dd6f1a
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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11 - `Machine learning workflows`_ |
0985b0dd6f1a
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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12 - `Supervised learning workflows`_ |
0985b0dd6f1a
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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13 - `Unsupervised learning workflows`_ |
0985b0dd6f1a
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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14 |
0985b0dd6f1a
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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15 |
0985b0dd6f1a
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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16 ____________________________ |
0985b0dd6f1a
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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17 |
0985b0dd6f1a
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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18 |
0985b0dd6f1a
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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19 .. _What is scikit-learn?: |
0985b0dd6f1a
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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20 |
0985b0dd6f1a
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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21 What is scikit-learn? |
0985b0dd6f1a
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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22 ===================== |
0985b0dd6f1a
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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23 |
0985b0dd6f1a
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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24 Scikit-learn is an open-source machine learning library for the Python programming language. It offers various algorithms for performing supervised and unsupervised learning as well as data preprocessing and transformation, model selection and evaluation, and dataset utilities. It is built upon SciPy (Scientific Python) library. |
0985b0dd6f1a
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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25 |
0985b0dd6f1a
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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26 Scikit-learn source code can be accessed at https://github.com/scikit-learn/scikit-learn. |
0985b0dd6f1a
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27 Detailed installation instructions can be found at http://scikit-learn.org/stable/install.html |
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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28 |
0985b0dd6f1a
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29 |
0985b0dd6f1a
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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30 .. _Scikit-learn main package groups: |
0985b0dd6f1a
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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31 |
0985b0dd6f1a
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32 Scikit-learn main package groups |
0985b0dd6f1a
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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33 ================================ |
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34 |
0985b0dd6f1a
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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35 Scikit-learn provides the users with several main groups of related operations. |
0985b0dd6f1a
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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36 These are: |
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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37 |
0985b0dd6f1a
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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38 - Classification |
0985b0dd6f1a
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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39 - Identifying to which category an object belongs. |
0985b0dd6f1a
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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40 - Regression |
0985b0dd6f1a
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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41 - Predicting a continuous-valued attribute associated with an object. |
0985b0dd6f1a
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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42 - Clustering |
0985b0dd6f1a
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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43 - Automatic grouping of similar objects into sets. |
0985b0dd6f1a
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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44 - Preprocessing |
0985b0dd6f1a
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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45 - Feature extraction and normalization. |
0985b0dd6f1a
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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46 - Model selection and evaluation |
0985b0dd6f1a
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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47 - Comparing, validating and choosing parameters and models. |
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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48 - Dimensionality reduction |
0985b0dd6f1a
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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49 - Reducing the number of random variables to consider. |
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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50 |
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51 Each group consists of a number of well-known algorithms from the category. For example, one can find hierarchical, spectral, kmeans, and other clustering methods in sklearn.cluster package. |
0985b0dd6f1a
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52 |
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53 |
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54 .. _Tools offered by this wrapper: |
0985b0dd6f1a
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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55 |
0985b0dd6f1a
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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56 Available tools in the current wrapper |
0985b0dd6f1a
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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57 ====================================== |
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58 |
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59 The current release of the wrapper offers a subset of the packages from scikit-learn library. You can find: |
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60 |
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61 - A subset of classification metric functions |
0985b0dd6f1a
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62 - Linear and quadratic discriminant classifiers |
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63 - Random forest and Ada boost classifiers and regressors |
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64 - All the clustering methods |
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65 - All support vector machine classifiers |
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66 - A subset of data preprocessing estimator classes |
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67 - Pairwise metric measurement functions |
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68 |
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69 In addition, several tools for performing matrix operations, generating problem-specific datasets, and encoding text and extracting features have been prepared to help the user with more advanced operations. |
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70 |
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71 .. _Machine learning workflows: |
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72 |
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73 Machine learning workflows |
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74 ========================== |
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75 |
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76 Machine learning is about processes. No matter what machine learning algorithm we use, we can apply typical workflows and dataflows to produce more robust models and better predictions. |
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77 Here we discuss supervised and unsupervised learning workflows. |
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78 |
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79 .. _Supervised learning workflows: |
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80 |
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81 Supervised machine learning workflows |
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82 ===================================== |
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83 |
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84 **What is supervised learning?** |
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85 |
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86 In this machine learning task, given sample data which are labeled, the aim is to build a model which can predict the labels for new observations. |
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87 In practice, there are five steps which we can go through to start from raw input data and end up getting reasonable predictions for new samples: |
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88 |
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89 1. Preprocess the data:: |
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90 |
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91 * Change the collected data into the proper format and datatype. |
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92 * Adjust the data quality by filling the missing values, performing |
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93 required scaling and normalizations, etc. |
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94 * Extract features which are the most meaningfull for the learning task. |
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95 * Split the ready dataset into training and test samples. |
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96 |
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97 2. Choose an algorithm:: |
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98 |
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99 * These factors help one to choose a learning algorithm: |
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100 - Nature of the data (e.g. linear vs. nonlinear data) |
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101 - Structure of the predicted output (e.g. binary vs. multilabel classification) |
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102 - Memory and time usage of the training |
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103 - Predictive accuracy on new data |
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104 - Interpretability of the predictions |
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105 |
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106 3. Choose a validation method |
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107 |
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108 Every machine learning model should be evaluated before being put into practicical use. |
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109 There are numerous performance metrics to evaluate machine learning models. |
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110 For supervised learning, usually classification or regression metrics are used. |
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111 |
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112 A validation method helps to evaluate the performance metrics of a trained model in order |
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113 to optimize its performance or ultimately switch to a more efficient model. |
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114 Cross-validation is a known validation method. |
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115 |
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116 4. Fit a model |
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117 |
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118 Given the learning algorithm, validation method, and performance metric(s) |
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119 repeat the following steps:: |
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120 |
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121 * Train the model. |
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122 * Evaluate based on metrics. |
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123 * Optimize unitl satisfied. |
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124 |
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125 5. Use fitted model for prediction:: |
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126 |
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127 This is a final evaluation in which, the optimized model is used to make predictions |
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128 on unseen (here test) samples. After this, the model is put into production. |
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129 |
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130 .. _Unsupervised learning workflows: |
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131 |
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132 Unsupervised machine learning workflows |
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133 ======================================= |
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134 |
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135 **What is unsupervised learning?** |
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136 |
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137 Unlike supervised learning and more liklely in real life, here the initial data is not labeled. |
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138 The task is to extract the structure from the data and group the samples based on their similarities. |
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139 Clustering and dimensionality reduction are two famous examples of unsupervised learning tasks. |
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140 |
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141 In this case, the workflow is as follows:: |
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142 |
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143 * Preprocess the data (without splitting to train and test). |
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144 * Train a model. |
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145 * Evaluate and tune parameters. |
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146 * Analyse the model and test on real data. |