1 | #region License Information
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2 | /* HeuristicLab
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3 | * Copyright (C) 2002-2008 Heuristic and Evolutionary Algorithms Laboratory (HEAL)
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4 | *
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5 | * This file is part of HeuristicLab.
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6 | *
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7 | * HeuristicLab is free software: you can redistribute it and/or modify
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8 | * it under the terms of the GNU General Public License as published by
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9 | * the Free Software Foundation, either version 3 of the License, or
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10 | * (at your option) any later version.
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11 | *
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12 | * HeuristicLab is distributed in the hope that it will be useful,
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13 | * but WITHOUT ANY WARRANTY; without even the implied warranty of
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14 | * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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15 | * GNU General Public License for more details.
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16 | *
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17 | * You should have received a copy of the GNU General Public License
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18 | * along with HeuristicLab. If not, see <http://www.gnu.org/licenses/>.
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19 | */
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20 | #endregion
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21 |
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22 | using System.Collections.Generic;
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23 | using System.Linq;
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24 | using HeuristicLab.Core;
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25 | using HeuristicLab.Data;
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26 |
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27 |
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28 | namespace HeuristicLab.GP.StructureIdentification.Classification {
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29 | public class ROCAnalyzer : OperatorBase {
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30 | private ItemList myRocValues;
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31 | private ItemList<DoubleData> myAucValues;
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32 |
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33 |
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34 | public override string Description {
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35 | get { return @"Calculate TPR & FPR for various thresholds on dataset"; }
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36 | }
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37 |
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38 | public ROCAnalyzer()
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39 | : base() {
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40 | AddVariableInfo(new VariableInfo("Values", "Item list holding the estimated and original values for the ROCAnalyzer", typeof(ItemList), VariableKind.In));
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41 | AddVariableInfo(new VariableInfo("ROCValues", "The values of the ROCAnalyzer, namely TPR & FPR", typeof(ItemList), VariableKind.New | VariableKind.Out));
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42 | AddVariableInfo(new VariableInfo("AUCValues", "The AUC Values for each ROC", typeof(ItemList<DoubleData>), VariableKind.New | VariableKind.Out));
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43 | }
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44 |
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45 | public override IOperation Apply(IScope scope) {
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46 | #region initialize HL-variables
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47 | ItemList values = GetVariableValue<ItemList>("Values", scope, true);
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48 | myRocValues = GetVariableValue<ItemList>("ROCValues", scope, false, false);
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49 | if (myRocValues == null) {
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50 | myRocValues = new ItemList();
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51 | IVariableInfo info = GetVariableInfo("ROCValues");
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52 | if (info.Local)
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53 | AddVariable(new HeuristicLab.Core.Variable(info.ActualName, myRocValues));
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54 | else
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55 | scope.AddVariable(new HeuristicLab.Core.Variable(scope.TranslateName(info.FormalName), myRocValues));
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56 | } else {
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57 | myRocValues.Clear();
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58 | }
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59 |
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60 | myAucValues = GetVariableValue<ItemList<DoubleData>>("AUCValues", scope, false, false);
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61 | if (myAucValues == null) {
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62 | myAucValues = new ItemList<DoubleData>();
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63 | IVariableInfo info = GetVariableInfo("AUCValues");
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64 | if (info.Local)
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65 | AddVariable(new HeuristicLab.Core.Variable(info.ActualName, myAucValues));
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66 | else
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67 | scope.AddVariable(new HeuristicLab.Core.Variable(scope.TranslateName(info.FormalName), myAucValues));
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68 | } else {
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69 | myAucValues.Clear();
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70 | }
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71 | #endregion
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72 |
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73 | //calculate new ROC Values
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74 | double estimated = 0.0;
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75 | double original = 0.0;
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76 |
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77 | //initialize classes dictionary
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78 | SortedDictionary<double, List<double>> classes = new SortedDictionary<double, List<double>>();
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79 | foreach (ItemList value in values) {
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80 | estimated = ((DoubleData)value[0]).Data;
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81 | original = ((DoubleData)value[1]).Data;
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82 | if (!classes.ContainsKey(original))
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83 | classes[original] = new List<double>();
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84 | classes[original].Add(estimated);
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85 | }
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86 | foreach (double key in classes.Keys)
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87 | classes[key].Sort();
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88 |
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89 | //calculate ROC Curve
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90 | foreach (double key in classes.Keys) {
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91 | CalculateBestROC(key, classes);
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92 | }
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93 |
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94 | return null;
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95 | }
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96 |
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97 | protected void CalculateBestROC(double positiveClassKey, SortedDictionary<double, List<double>> classes) {
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98 | List<KeyValuePair<double, double>> rocCharacteristics;
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99 | List<KeyValuePair<double, double>> bestROC;
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100 | List<KeyValuePair<double, double>> actROC;
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101 |
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102 | List<double> negatives = new List<double>();
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103 | foreach (double key in classes.Keys) {
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104 | if (key != positiveClassKey)
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105 | negatives.AddRange(classes[key]);
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106 | }
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107 | List<double> actNegatives = negatives.Where<double>(value => value < classes[positiveClassKey].Max<double>()).ToList<double>();
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108 | actNegatives.Add(classes[positiveClassKey].Max<double>());
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109 | actNegatives.Sort();
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110 | actNegatives = actNegatives.Reverse<double>().ToList<double>();
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111 |
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112 | double bestAUC = double.MinValue;
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113 | double actAUC = 0;
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114 | //first class
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115 | if (classes.Keys.ElementAt<double>(0) == positiveClassKey) {
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116 | rocCharacteristics = null;
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117 | CalculateROCValuesAndAUC(classes[positiveClassKey], actNegatives, negatives.Count, double.MinValue, ref rocCharacteristics, out actROC, out actAUC);
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118 | myAucValues.Add(new DoubleData(actAUC));
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119 | myRocValues.Add(Convert(actROC));
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120 | }
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121 | //middle classes
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122 | else if (classes.Keys.ElementAt<double>(classes.Keys.Count - 1) != positiveClassKey) {
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123 | rocCharacteristics = null;
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124 | bestROC = new List<KeyValuePair<double, double>>();
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125 | foreach (double minThreshold in classes[positiveClassKey].Distinct<double>()) {
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126 | CalculateROCValuesAndAUC(classes[positiveClassKey], actNegatives, negatives.Count, minThreshold, ref rocCharacteristics, out actROC, out actAUC);
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127 | if (actAUC > bestAUC) {
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128 | bestAUC = actAUC;
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129 | bestROC = actROC;
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130 | }
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131 | }
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132 | myAucValues.Add(new DoubleData(bestAUC));
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133 | myRocValues.Add(Convert(bestROC));
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134 |
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135 | } else { //last class
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136 | actNegatives = negatives.Where<double>(value => value > classes[positiveClassKey].Min<double>()).ToList<double>();
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137 | actNegatives.Add(classes[positiveClassKey].Min<double>());
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138 | actNegatives.Sort();
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139 | CalculateROCValuesAndAUCForLastClass(classes[positiveClassKey], actNegatives, negatives.Count, out bestROC, out bestAUC);
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140 | myAucValues.Add(new DoubleData(bestAUC));
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141 | myRocValues.Add(Convert(bestROC));
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142 |
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143 | }
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144 |
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145 | }
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146 |
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147 | protected void CalculateROCValuesAndAUC(List<double> positives, List<double> negatives, int negativesCount, double minThreshold,
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148 | ref List<KeyValuePair<double, double>> rocCharacteristics, out List<KeyValuePair<double, double>> roc, out double auc) {
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149 | double actTP = -1;
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150 | double actFP = -1;
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151 | double oldTP = -1;
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152 | double oldFP = -1;
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153 | auc = 0;
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154 | roc = new List<KeyValuePair<double, double>>();
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155 |
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156 | actTP = positives.Count<double>(value => minThreshold <= value && value <= negatives.Max<double>());
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157 | actFP = negatives.Count<double>(value => minThreshold <= value);
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158 | //add point (1,TPR) for AUC 'correct' calculation
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159 | roc.Add(new KeyValuePair<double, double>(1, actTP / positives.Count));
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160 | oldTP = actTP;
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161 | oldFP = negativesCount;
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162 | roc.Add(new KeyValuePair<double, double>(actFP / negativesCount, actTP / positives.Count));
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163 |
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164 | if (rocCharacteristics == null) {
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165 | rocCharacteristics = new List<KeyValuePair<double, double>>();
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166 | foreach (double maxThreshold in negatives.Distinct<double>()) {
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167 | auc += ((oldTP + actTP) / positives.Count) * ((oldFP - actFP) / negativesCount) / 2;
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168 | oldTP = actTP;
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169 | oldFP = actFP;
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170 | actTP = positives.Count<double>(value => minThreshold <= value && value < maxThreshold);
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171 | actFP = negatives.Count<double>(value => minThreshold <= value && value < maxThreshold);
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172 | rocCharacteristics.Add(new KeyValuePair<double, double>(oldTP - actTP, oldFP - actFP));
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173 | roc.Add(new KeyValuePair<double, double>(actFP / negativesCount, actTP / positives.Count));
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174 |
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175 | //stop calculation if truePositiveRate == 0 => straight line with y=0 & save runtime
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176 | if ((actTP == 0) || (actFP == 0))
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177 | break;
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178 | }
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179 | auc += ((oldTP + actTP) / positives.Count) * ((oldFP - actFP) / negativesCount) / 2;
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180 | } else { //characteristics of ROCs calculated
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181 | foreach (KeyValuePair<double, double> rocCharac in rocCharacteristics) {
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182 | auc += ((oldTP + actTP) / positives.Count) * ((oldFP - actFP) / negativesCount) / 2;
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183 | oldTP = actTP;
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184 | oldFP = actFP;
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185 | actTP = oldTP - rocCharac.Key;
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186 | actFP = oldFP - rocCharac.Value;
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187 | roc.Add(new KeyValuePair<double, double>(actFP / negativesCount, actTP / positives.Count));
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188 | if ((actTP == 0) || (actFP == 0))
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189 | break;
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190 | }
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191 | auc += ((oldTP + actTP) / positives.Count) * ((oldFP - actFP) / negativesCount) / 2;
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192 | }
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193 | }
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194 |
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195 | protected void CalculateROCValuesAndAUCForLastClass(List<double> positives, List<double> negatives, int negativesCount,
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196 | out List<KeyValuePair<double, double>> roc, out double auc) {
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197 | double actTP = -1;
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198 | double actFP = -1;
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199 | double oldTP = -1;
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200 | double oldFP = -1;
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201 | auc = 0;
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202 | roc = new List<KeyValuePair<double, double>>();
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203 |
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204 | actTP = positives.Count<double>(value => value >= negatives.Min<double>());
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205 | actFP = negatives.Count<double>(value => value >= negatives.Min<double>());
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206 | //add point (1,TPR) for AUC 'correct' calculation
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207 | roc.Add(new KeyValuePair<double, double>(1, actTP / positives.Count));
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208 | oldTP = actTP;
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209 | oldFP = negativesCount;
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210 | roc.Add(new KeyValuePair<double, double>(actFP / negativesCount, actTP / positives.Count));
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211 |
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212 | foreach (double minThreshold in negatives.Distinct<double>()) {
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213 | auc += ((oldTP + actTP) / positives.Count) * ((oldFP - actFP) / negativesCount) / 2;
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214 | oldTP = actTP;
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215 | oldFP = actFP;
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216 | actTP = positives.Count<double>(value => minThreshold < value);
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217 | actFP = negatives.Count<double>(value => minThreshold < value);
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218 | roc.Add(new KeyValuePair<double, double>(actFP / negativesCount, actTP / positives.Count));
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219 |
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220 | //stop calculation if truePositiveRate == 0 => straight line with y=0 & save runtime
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221 | if (actTP == 0 || actFP == 0)
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222 | break;
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223 | }
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224 | auc += ((oldTP + actTP) / positives.Count) * ((oldFP - actFP) / negativesCount) / 2;
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225 |
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226 | }
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227 |
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228 | private ItemList Convert(List<KeyValuePair<double, double>> data) {
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229 | ItemList list = new ItemList();
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230 | ItemList row;
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231 | foreach (KeyValuePair<double, double> dataPoint in data) {
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232 | row = new ItemList();
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233 | row.Add(new DoubleData(dataPoint.Key));
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234 | row.Add(new DoubleData(dataPoint.Value));
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235 | list.Add(row);
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236 | }
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237 | return list;
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238 | }
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239 |
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240 | }
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241 |
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242 | }
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