1 | #region License Information
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2 | /* HeuristicLab
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3 | * Copyright (C) 2002-2016 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;
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23 | using System.Collections.Generic;
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24 | using System.Linq;
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25 | using System.Runtime.Remoting.Channels;
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26 | using HeuristicLab.Common;
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27 | using HeuristicLab.Core;
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28 | using HeuristicLab.Data;
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29 | using HeuristicLab.Encodings.SymbolicExpressionTreeEncoding;
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30 | using HeuristicLab.Parameters;
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31 | using HeuristicLab.Persistence.Default.CompositeSerializers.Storable;
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32 | using HeuristicLab.Problems.DataAnalysis;
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33 | using HeuristicLab.Problems.DataAnalysis.Symbolic;
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34 | using HeuristicLab.Problems.DataAnalysis.Symbolic.Regression;
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35 |
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36 | namespace HeuristicLab.Algorithms.DataAnalysis.Experimental {
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37 | [Item("Constant Optimization Evaluator with Constraints", "")]
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38 | [StorableClass]
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39 | public class SymbolicRegressionConstantOptimizationEvaluator : SymbolicRegressionSingleObjectiveEvaluator {
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40 | private const string ConstantOptimizationIterationsParameterName = "ConstantOptimizationIterations";
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41 | private const string ConstantOptimizationImprovementParameterName = "ConstantOptimizationImprovement";
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42 | private const string ConstantOptimizationProbabilityParameterName = "ConstantOptimizationProbability";
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43 | private const string ConstantOptimizationRowsPercentageParameterName = "ConstantOptimizationRowsPercentage";
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44 | private const string UpdateConstantsInTreeParameterName = "UpdateConstantsInSymbolicExpressionTree";
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45 | private const string UpdateVariableWeightsParameterName = "Update Variable Weights";
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46 |
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47 | public IFixedValueParameter<IntValue> ConstantOptimizationIterationsParameter {
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48 | get { return (IFixedValueParameter<IntValue>)Parameters[ConstantOptimizationIterationsParameterName]; }
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49 | }
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50 | public IFixedValueParameter<DoubleValue> ConstantOptimizationImprovementParameter {
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51 | get { return (IFixedValueParameter<DoubleValue>)Parameters[ConstantOptimizationImprovementParameterName]; }
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52 | }
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53 | public IFixedValueParameter<PercentValue> ConstantOptimizationProbabilityParameter {
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54 | get { return (IFixedValueParameter<PercentValue>)Parameters[ConstantOptimizationProbabilityParameterName]; }
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55 | }
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56 | public IFixedValueParameter<PercentValue> ConstantOptimizationRowsPercentageParameter {
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57 | get { return (IFixedValueParameter<PercentValue>)Parameters[ConstantOptimizationRowsPercentageParameterName]; }
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58 | }
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59 | public IFixedValueParameter<BoolValue> UpdateConstantsInTreeParameter {
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60 | get { return (IFixedValueParameter<BoolValue>)Parameters[UpdateConstantsInTreeParameterName]; }
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61 | }
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62 | public IFixedValueParameter<BoolValue> UpdateVariableWeightsParameter {
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63 | get { return (IFixedValueParameter<BoolValue>)Parameters[UpdateVariableWeightsParameterName]; }
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64 | }
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65 |
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66 |
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67 | public IntValue ConstantOptimizationIterations {
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68 | get { return ConstantOptimizationIterationsParameter.Value; }
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69 | }
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70 | public DoubleValue ConstantOptimizationImprovement {
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71 | get { return ConstantOptimizationImprovementParameter.Value; }
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72 | }
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73 | public PercentValue ConstantOptimizationProbability {
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74 | get { return ConstantOptimizationProbabilityParameter.Value; }
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75 | }
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76 | public PercentValue ConstantOptimizationRowsPercentage {
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77 | get { return ConstantOptimizationRowsPercentageParameter.Value; }
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78 | }
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79 | public bool UpdateConstantsInTree {
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80 | get { return UpdateConstantsInTreeParameter.Value.Value; }
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81 | set { UpdateConstantsInTreeParameter.Value.Value = value; }
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82 | }
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83 |
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84 | public bool UpdateVariableWeights {
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85 | get { return UpdateVariableWeightsParameter.Value.Value; }
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86 | set { UpdateVariableWeightsParameter.Value.Value = value; }
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87 | }
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88 |
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89 | public override bool Maximization {
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90 | get { return true; }
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91 | }
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92 |
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93 | [StorableConstructor]
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94 | protected SymbolicRegressionConstantOptimizationEvaluator(bool deserializing) : base(deserializing) { }
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95 | protected SymbolicRegressionConstantOptimizationEvaluator(SymbolicRegressionConstantOptimizationEvaluator original, Cloner cloner)
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96 | : base(original, cloner) {
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97 | }
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98 | public SymbolicRegressionConstantOptimizationEvaluator()
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99 | : base() {
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100 | Parameters.Add(new FixedValueParameter<IntValue>(ConstantOptimizationIterationsParameterName, "Determines how many iterations should be calculated while optimizing the constant of a symbolic expression tree (0 indicates other or default stopping criterion).", new IntValue(10), true));
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101 | Parameters.Add(new FixedValueParameter<DoubleValue>(ConstantOptimizationImprovementParameterName, "Determines the relative improvement which must be achieved in the constant optimization to continue with it (0 indicates other or default stopping criterion).", new DoubleValue(0), true) { Hidden = true });
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102 | Parameters.Add(new FixedValueParameter<PercentValue>(ConstantOptimizationProbabilityParameterName, "Determines the probability that the constants are optimized", new PercentValue(1), true));
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103 | Parameters.Add(new FixedValueParameter<PercentValue>(ConstantOptimizationRowsPercentageParameterName, "Determines the percentage of the rows which should be used for constant optimization", new PercentValue(1), true));
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104 | Parameters.Add(new FixedValueParameter<BoolValue>(UpdateConstantsInTreeParameterName, "Determines if the constants in the tree should be overwritten by the optimized constants.", new BoolValue(true)) { Hidden = true });
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105 | Parameters.Add(new FixedValueParameter<BoolValue>(UpdateVariableWeightsParameterName, "Determines if the variable weights in the tree should be optimized.", new BoolValue(true)) { Hidden = true });
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106 | }
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107 |
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108 | public override IDeepCloneable Clone(Cloner cloner) {
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109 | return new SymbolicRegressionConstantOptimizationEvaluator(this, cloner);
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110 | }
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111 |
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112 | [StorableHook(HookType.AfterDeserialization)]
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113 | private void AfterDeserialization() {
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114 | if (!Parameters.ContainsKey(UpdateConstantsInTreeParameterName))
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115 | Parameters.Add(new FixedValueParameter<BoolValue>(UpdateConstantsInTreeParameterName, "Determines if the constants in the tree should be overwritten by the optimized constants.", new BoolValue(true)));
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116 | if (!Parameters.ContainsKey(UpdateVariableWeightsParameterName))
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117 | Parameters.Add(new FixedValueParameter<BoolValue>(UpdateVariableWeightsParameterName, "Determines if the variable weights in the tree should be optimized.", new BoolValue(true)));
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118 | }
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119 |
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120 | public override IOperation InstrumentedApply() {
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121 | var solution = SymbolicExpressionTreeParameter.ActualValue;
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122 | double quality;
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123 | if (RandomParameter.ActualValue.NextDouble() < ConstantOptimizationProbability.Value) {
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124 | IEnumerable<int> constantOptimizationRows = GenerateRowsToEvaluate(ConstantOptimizationRowsPercentage.Value);
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125 | quality = OptimizeConstants(SymbolicDataAnalysisTreeInterpreterParameter.ActualValue, solution, ProblemDataParameter.ActualValue,
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126 | constantOptimizationRows, ApplyLinearScalingParameter.ActualValue.Value, ConstantOptimizationIterations.Value, updateVariableWeights: UpdateVariableWeights, lowerEstimationLimit: EstimationLimitsParameter.ActualValue.Lower, upperEstimationLimit: EstimationLimitsParameter.ActualValue.Upper, updateConstantsInTree: UpdateConstantsInTree);
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127 |
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128 | if (ConstantOptimizationRowsPercentage.Value != RelativeNumberOfEvaluatedSamplesParameter.ActualValue.Value) {
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129 | var evaluationRows = GenerateRowsToEvaluate();
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130 | quality = SymbolicRegressionSingleObjectivePearsonRSquaredEvaluator.Calculate(SymbolicDataAnalysisTreeInterpreterParameter.ActualValue, solution, EstimationLimitsParameter.ActualValue.Lower, EstimationLimitsParameter.ActualValue.Upper, ProblemDataParameter.ActualValue, evaluationRows, ApplyLinearScalingParameter.ActualValue.Value);
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131 | }
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132 | } else {
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133 | var evaluationRows = GenerateRowsToEvaluate();
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134 | quality = SymbolicRegressionSingleObjectivePearsonRSquaredEvaluator.Calculate(SymbolicDataAnalysisTreeInterpreterParameter.ActualValue, solution, EstimationLimitsParameter.ActualValue.Lower, EstimationLimitsParameter.ActualValue.Upper, ProblemDataParameter.ActualValue, evaluationRows, ApplyLinearScalingParameter.ActualValue.Value);
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135 | }
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136 | QualityParameter.ActualValue = new DoubleValue(quality);
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137 |
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138 | return base.InstrumentedApply();
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139 | }
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140 |
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141 | public override double Evaluate(IExecutionContext context, ISymbolicExpressionTree tree, IRegressionProblemData problemData, IEnumerable<int> rows) {
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142 | SymbolicDataAnalysisTreeInterpreterParameter.ExecutionContext = context;
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143 | EstimationLimitsParameter.ExecutionContext = context;
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144 | ApplyLinearScalingParameter.ExecutionContext = context;
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145 |
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146 | // Pearson R² evaluator is used on purpose instead of the const-opt evaluator,
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147 | // because Evaluate() is used to get the quality of evolved models on
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148 | // different partitions of the dataset (e.g., best validation model)
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149 | double r2 = SymbolicRegressionSingleObjectivePearsonRSquaredEvaluator.Calculate(SymbolicDataAnalysisTreeInterpreterParameter.ActualValue, tree, EstimationLimitsParameter.ActualValue.Lower, EstimationLimitsParameter.ActualValue.Upper, problemData, rows, ApplyLinearScalingParameter.ActualValue.Value);
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150 |
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151 | SymbolicDataAnalysisTreeInterpreterParameter.ExecutionContext = null;
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152 | EstimationLimitsParameter.ExecutionContext = null;
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153 | ApplyLinearScalingParameter.ExecutionContext = null;
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154 |
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155 | return r2;
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156 | }
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157 |
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158 | public static double OptimizeConstants(ISymbolicDataAnalysisExpressionTreeInterpreter interpreter,
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159 | ISymbolicExpressionTree tree, IRegressionProblemData problemData, IEnumerable<int> rows, bool applyLinearScaling,
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160 | int maxIterations, bool updateVariableWeights = true,
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161 | double lowerEstimationLimit = double.MinValue, double upperEstimationLimit = double.MaxValue,
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162 | bool updateConstantsInTree = true) {
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163 |
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164 | // numeric constants in the tree become variables for constant opt
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165 | // variables in the tree become parameters (fixed values) for constant opt
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166 | // for each parameter (variable in the original tree) we store the
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167 | // variable name, variable value (for factor vars) and lag as a DataForVariable object.
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168 | // A dictionary is used to find parameters
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169 | double[] initialConstants;
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170 | var parameters = new List<TreeToAutoDiffTermConverter.DataForVariable>();
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171 |
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172 | TreeToAutoDiffTermConverter.ParametricFunction func;
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173 | TreeToAutoDiffTermConverter.ParametricFunctionGradient func_grad;
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174 | TreeToAutoDiffTermConverter.ParametricFunctionGradient func_grad_for_vars;
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175 | if (!TreeToAutoDiffTermConverter.TryConvertToAutoDiff(tree, updateVariableWeights, out parameters, out initialConstants,
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176 | out func, out func_grad, out func_grad_for_vars))
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177 | throw new NotSupportedException("Could not optimize constants of symbolic expression tree due to not supported symbols used in the tree.");
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178 | if (parameters.Count == 0) return 0.0; // gkronber: constant expressions always have a R² of 0.0
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179 |
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180 | var parameterEntries = parameters.ToArray(); // order of entries must be the same for x
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181 |
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182 | // extract inital constants
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183 | double[] c = new double[initialConstants.Length + 2];
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184 | {
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185 | c[0] = 0.0;
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186 | c[1] = 1.0;
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187 | Array.Copy(initialConstants, 0, c, 2, initialConstants.Length);
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188 | }
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189 | double[] originalConstants = (double[])c.Clone();
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190 | double originalQuality = SymbolicRegressionSingleObjectivePearsonRSquaredEvaluator.Calculate(interpreter, tree, lowerEstimationLimit, upperEstimationLimit, problemData, rows, applyLinearScaling);
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191 |
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192 | alglib.minnlcstate state;
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193 | alglib.minnlcreport rep;
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194 |
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195 | IDataset ds = problemData.Dataset;
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196 | double[,] x = new double[rows.Count(), parameters.Count];
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197 | double[,] constraints = new double[rows.Count(), parameters.Count + 1]; // +1 for constraint for f(x)
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198 | string[,] comp = string[rows.Count(), parameters.Count + 1];
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199 | int row = 0;
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200 | foreach (var r in rows) {
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201 | int col = 0;
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202 | foreach (var info in parameterEntries) {
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203 | if (ds.VariableHasType<double>(info.variableName)) {
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204 | x[row, col] = ds.GetDoubleValue(info.variableName, r + info.lag);
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205 | } else if (ds.VariableHasType<string>(info.variableName)) {
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206 | x[row, col] = ds.GetStringValue(info.variableName, r) == info.variableValue ? 1 : 0;
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207 | } else throw new InvalidProgramException("found a variable of unknown type");
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208 |
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209 | // find the matching df/dx column
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210 | var colName = string.Format("df/d({0})", info.variableName);
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211 | constraints[row, col] = ds.GetDoubleValue(colName, r);
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212 |
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213 | var compColName = string.Format("df/d({0}) constraint-type")
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214 | comp[row, col] = ds.GetStringValue(compColName, r);
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215 | col++;
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216 | }
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217 | constraints[row, col] = ds.GetDoubleValue("f(x)", r);
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218 | comp[row, col] = ds.GetStringValue("f(x) constraint-type", r);
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219 | row++;
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220 | }
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221 | double[] y = ds.GetDoubleValues(problemData.TargetVariable, rows).ToArray();
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222 | int n = x.GetLength(0);
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223 | int m = x.GetLength(1);
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224 | int k = c.Length;
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225 |
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226 | // alglib.ndimensional_pfunc function_cx_1_func = CreatePFunc(func);
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227 | // alglib.ndimensional_pgrad function_cx_1_grad = CreatePGrad(func_grad);
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228 | alglib.ndimensional_jac jac = CreateJac(x, y, constraints, comp, func, func_grad, func_grad_for_vars);
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229 | double[] s = c.Select(ci=>Math.Max(Math.Abs(ci), 1E-6)).ToArray(); // use absolute value of variables as scale
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230 | double rho = 1000;
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231 | int outeriters = 3;
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232 | int updateFreq = 10;
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233 | try {
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234 | // alglib.lsfitcreatefg(x, y, c, n, m, k, false, out state);
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235 | // alglib.lsfitsetcond(state, 0.0, maxIterations);
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236 | // //alglib.lsfitsetgradientcheck(state, 0.001);
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237 | // alglib.lsfitfit(state, function_cx_1_func, function_cx_1_grad, null, null);
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238 | // alglib.lsfitresults(state, out retVal, out c, out rep);
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239 | alglib.minnlccreate(c, out state);
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240 | alglib.minnlcsetalgoaul(state, rho, outeriters);
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241 | alglib.minnlcsetcond(state, 0.0, 0.0, 0.0, maxIterations);
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242 | alglib.minnlcsetscale(state, s);
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243 | alglib.minnlcsetprecexactlowrank(state, updateFreq);
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244 | // TODO set constraints;
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245 | alglib.minnlcsetnlc(state, 0, 2);
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246 | alglib.minnlcoptimize(state, jac, null, null);
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247 | alglib.minnlcresults(state, out c, out rep);
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248 | } catch (ArithmeticException) {
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249 | return originalQuality;
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250 | } catch (alglib.alglibexception) {
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251 | return originalQuality;
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252 | }
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253 |
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254 | // -7 => constant optimization failed due to wrong gradient
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255 | // -8 => integrity check failed (e.g. gradient NaN
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256 | if (rep.terminationtype != -7 && rep.terminationtype != -8)
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257 | UpdateConstants(tree, c.Skip(2).ToArray(), updateVariableWeights);
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258 | var quality = SymbolicRegressionSingleObjectivePearsonRSquaredEvaluator.Calculate(interpreter, tree, lowerEstimationLimit, upperEstimationLimit, problemData, rows, applyLinearScaling);
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259 |
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260 | if (!updateConstantsInTree) UpdateConstants(tree, originalConstants.Skip(2).ToArray(), updateVariableWeights);
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261 | if (originalQuality - quality > 0.001 || double.IsNaN(quality)) {
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262 | UpdateConstants(tree, originalConstants.Skip(2).ToArray(), updateVariableWeights);
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263 | return originalQuality;
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264 | }
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265 | return quality;
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266 | }
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267 |
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268 | private static void UpdateConstants(ISymbolicExpressionTree tree, double[] constants, bool updateVariableWeights) {
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269 | int i = 0;
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270 | foreach (var node in tree.Root.IterateNodesPrefix().OfType<SymbolicExpressionTreeTerminalNode>()) {
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271 | ConstantTreeNode constantTreeNode = node as ConstantTreeNode;
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272 | VariableTreeNodeBase variableTreeNodeBase = node as VariableTreeNodeBase;
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273 | FactorVariableTreeNode factorVarTreeNode = node as FactorVariableTreeNode;
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274 | if (constantTreeNode != null)
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275 | constantTreeNode.Value = constants[i++];
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276 | else if (updateVariableWeights && variableTreeNodeBase != null)
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277 | variableTreeNodeBase.Weight = constants[i++];
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278 | else if (factorVarTreeNode != null) {
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279 | for (int j = 0; j < factorVarTreeNode.Weights.Length; j++)
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280 | factorVarTreeNode.Weights[j] = constants[i++];
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281 | }
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282 | }
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283 | }
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284 |
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285 | private static alglib.ndimensional_jac CreateJac(
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286 | double[,] x, // x longer than y
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287 | double[] y, // only targets
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288 | string[,] comparison, // {LEQ, GEQ, EQ }
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289 | double[,] constraints, // df/d(xi), same order as for x
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290 | TreeToAutoDiffTermConverter.ParametricFunction func,
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291 | TreeToAutoDiffTermConverter.ParametricFunctionGradient func_grad,
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292 | TreeToAutoDiffTermConverter.ParametricFunctionGradient func_grad_for_vars) {
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293 | return (double[] c, double[] fi, double[,] jac, object o) => {
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294 | // objective function is sum of squared errors
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295 | int nRows = y.Length;
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296 | int nParams = x.GetLength(1);
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297 | // zero fi and jac
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298 | Array.Clear(fi, 0, fi.Length);
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299 | Array.Clear(jac, 0, jac.Length);
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300 | double[] xi = new double[nParams];
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301 | for (int rowIdx = 0; rowIdx < nRows; rowIdx++) {
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302 | // copy row
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303 | for (int cIdx = 0; cIdx < nParams; cIdx++)
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304 | xi[cIdx] = x[rowIdx, cIdx];
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305 | var fg = func_grad(c, xi);
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306 | double f = fg.Item2;
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307 | double[] g = fg.Item1;
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308 | var e = y[rowIdx] - f;
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309 | fi[0] += e * e;
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310 | // update gradient
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311 | for (int colIdx = 0; colIdx < c.Length; colIdx++) {
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312 | jac[0, colIdx] += -2 * e * g[colIdx];
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313 | }
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314 | }
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315 |
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316 | // constraints
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317 | var nConstraintPoints = constraints.GetLength(0);
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318 |
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319 | // TODO: AutoDiff for gradients d/d(c) d/d(xi) f(xi,c) for all xi
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320 | // converter should produce the differentials for all variables as functions which can be differentiated wrt the parameters c
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321 |
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322 | };
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323 | }
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324 |
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325 | // private static alglib.ndimensional_pfunc CreatePFunc(TreeToAutoDiffTermConverter.ParametricFunction func) {
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326 | // return (double[] c, double[] x, ref double fx, object o) => {
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327 | // fx = func(c, x);
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328 | // };
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329 | // }
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330 | //
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331 | // private static alglib.ndimensional_pgrad CreatePGrad(TreeToAutoDiffTermConverter.ParametricFunctionGradient func_grad) {
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332 | // return (double[] c, double[] x, ref double fx, double[] grad, object o) => {
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333 | // var tupel = func_grad(c, x);
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334 | // fx = tupel.Item2;
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335 | // Array.Copy(tupel.Item1, grad, grad.Length);
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336 | // };
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337 | // }
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338 | public static bool CanOptimizeConstants(ISymbolicExpressionTree tree) {
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339 | return TreeToAutoDiffTermConverter.IsCompatible(tree);
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340 | }
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341 | }
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342 | }
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