#region License Information /* HeuristicLab * Copyright (C) 2002-2019 Heuristic and Evolutionary Algorithms Laboratory (HEAL) * * This file is part of HeuristicLab. * * HeuristicLab is free software: you can redistribute it and/or modify * it under the terms of the GNU General Public License as published by * the Free Software Foundation, either version 3 of the License, or * (at your option) any later version. * * HeuristicLab is distributed in the hope that it will be useful, * but WITHOUT ANY WARRANTY; without even the implied warranty of * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the * GNU General Public License for more details. * * You should have received a copy of the GNU General Public License * along with HeuristicLab. If not, see . */ #endregion using System; using System.Collections.Generic; using System.Linq; using HeuristicLab.Common; using HeuristicLab.Core; using HeuristicLab.Data; using HeuristicLab.Encodings.SymbolicExpressionTreeEncoding; using HeuristicLab.Optimization; using HeuristicLab.Parameters; using HEAL.Attic; namespace HeuristicLab.Problems.DataAnalysis.Symbolic.Regression { [Item("Constant Optimization Evaluator (new)", "Calculates Pearson R² of a symbolic regression solution and optimizes the constant used.")] [StorableType("1D5361E9-EF73-47D2-9211-FDD39BBC1018")] public class SymbolicRegressionNewConstantOptimizationEvaluator : SymbolicRegressionSingleObjectiveEvaluator { private const string ConstantOptimizationIterationsParameterName = "ConstantOptimizationIterations"; private const string ConstantOptimizationImprovementParameterName = "ConstantOptimizationImprovement"; private const string ConstantOptimizationProbabilityParameterName = "ConstantOptimizationProbability"; private const string ConstantOptimizationRowsPercentageParameterName = "ConstantOptimizationRowsPercentage"; private const string UpdateConstantsInTreeParameterName = "UpdateConstantsInSymbolicExpressionTree"; private const string UpdateVariableWeightsParameterName = "Update Variable Weights"; private const string FunctionEvaluationsResultParameterName = "Constants Optimization Function Evaluations"; private const string GradientEvaluationsResultParameterName = "Constants Optimization Gradient Evaluations"; private const string CountEvaluationsParameterName = "Count Function and Gradient Evaluations"; public IFixedValueParameter ConstantOptimizationIterationsParameter { get { return (IFixedValueParameter)Parameters[ConstantOptimizationIterationsParameterName]; } } public IFixedValueParameter ConstantOptimizationImprovementParameter { get { return (IFixedValueParameter)Parameters[ConstantOptimizationImprovementParameterName]; } } public IFixedValueParameter ConstantOptimizationProbabilityParameter { get { return (IFixedValueParameter)Parameters[ConstantOptimizationProbabilityParameterName]; } } public IFixedValueParameter ConstantOptimizationRowsPercentageParameter { get { return (IFixedValueParameter)Parameters[ConstantOptimizationRowsPercentageParameterName]; } } public IFixedValueParameter UpdateConstantsInTreeParameter { get { return (IFixedValueParameter)Parameters[UpdateConstantsInTreeParameterName]; } } public IFixedValueParameter UpdateVariableWeightsParameter { get { return (IFixedValueParameter)Parameters[UpdateVariableWeightsParameterName]; } } public IResultParameter FunctionEvaluationsResultParameter { get { return (IResultParameter)Parameters[FunctionEvaluationsResultParameterName]; } } public IResultParameter GradientEvaluationsResultParameter { get { return (IResultParameter)Parameters[GradientEvaluationsResultParameterName]; } } public IFixedValueParameter CountEvaluationsParameter { get { return (IFixedValueParameter)Parameters[CountEvaluationsParameterName]; } } public IntValue ConstantOptimizationIterations { get { return ConstantOptimizationIterationsParameter.Value; } } public DoubleValue ConstantOptimizationImprovement { get { return ConstantOptimizationImprovementParameter.Value; } } public PercentValue ConstantOptimizationProbability { get { return ConstantOptimizationProbabilityParameter.Value; } } public PercentValue ConstantOptimizationRowsPercentage { get { return ConstantOptimizationRowsPercentageParameter.Value; } } public bool UpdateConstantsInTree { get { return UpdateConstantsInTreeParameter.Value.Value; } set { UpdateConstantsInTreeParameter.Value.Value = value; } } public bool UpdateVariableWeights { get { return UpdateVariableWeightsParameter.Value.Value; } set { UpdateVariableWeightsParameter.Value.Value = value; } } public bool CountEvaluations { get { return CountEvaluationsParameter.Value.Value; } set { CountEvaluationsParameter.Value.Value = value; } } public override bool Maximization { get { return true; } } [StorableConstructor] protected SymbolicRegressionNewConstantOptimizationEvaluator(StorableConstructorFlag _) : base(_) { } protected SymbolicRegressionNewConstantOptimizationEvaluator(SymbolicRegressionNewConstantOptimizationEvaluator original, Cloner cloner) : base(original, cloner) { } public SymbolicRegressionNewConstantOptimizationEvaluator() : base() { Parameters.Add(new FixedValueParameter(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))); Parameters.Add(new FixedValueParameter(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)) { Hidden = true }); Parameters.Add(new FixedValueParameter(ConstantOptimizationProbabilityParameterName, "Determines the probability that the constants are optimized", new PercentValue(1))); Parameters.Add(new FixedValueParameter(ConstantOptimizationRowsPercentageParameterName, "Determines the percentage of the rows which should be used for constant optimization", new PercentValue(1))); Parameters.Add(new FixedValueParameter(UpdateConstantsInTreeParameterName, "Determines if the constants in the tree should be overwritten by the optimized constants.", new BoolValue(true)) { Hidden = true }); Parameters.Add(new FixedValueParameter(UpdateVariableWeightsParameterName, "Determines if the variable weights in the tree should be optimized.", new BoolValue(true)) { Hidden = true }); Parameters.Add(new FixedValueParameter(CountEvaluationsParameterName, "Determines if function and gradient evaluation should be counted.", new BoolValue(false))); Parameters.Add(new ResultParameter(FunctionEvaluationsResultParameterName, "The number of function evaluations performed by the constants optimization evaluator", "Results", new IntValue())); Parameters.Add(new ResultParameter(GradientEvaluationsResultParameterName, "The number of gradient evaluations performed by the constants optimization evaluator", "Results", new IntValue())); } public override IDeepCloneable Clone(Cloner cloner) { return new SymbolicRegressionNewConstantOptimizationEvaluator(this, cloner); } [StorableHook(HookType.AfterDeserialization)] private void AfterDeserialization() { } private static readonly object locker = new object(); public override IOperation InstrumentedApply() { var solution = SymbolicExpressionTreeParameter.ActualValue; double quality; if (RandomParameter.ActualValue.NextDouble() < ConstantOptimizationProbability.Value) { IEnumerable constantOptimizationRows = GenerateRowsToEvaluate(ConstantOptimizationRowsPercentage.Value); var counter = new EvaluationsCounter(); quality = OptimizeConstants(SymbolicDataAnalysisTreeInterpreterParameter.ActualValue, solution, ProblemDataParameter.ActualValue, constantOptimizationRows, ApplyLinearScalingParameter.ActualValue.Value, ConstantOptimizationIterations.Value, updateVariableWeights: UpdateVariableWeights, lowerEstimationLimit: EstimationLimitsParameter.ActualValue.Lower, upperEstimationLimit: EstimationLimitsParameter.ActualValue.Upper, updateConstantsInTree: UpdateConstantsInTree, counter: counter); if (ConstantOptimizationRowsPercentage.Value != RelativeNumberOfEvaluatedSamplesParameter.ActualValue.Value) { var evaluationRows = GenerateRowsToEvaluate(); quality = SymbolicRegressionSingleObjectivePearsonRSquaredEvaluator.Calculate(SymbolicDataAnalysisTreeInterpreterParameter.ActualValue, solution, EstimationLimitsParameter.ActualValue.Lower, EstimationLimitsParameter.ActualValue.Upper, ProblemDataParameter.ActualValue, evaluationRows, ApplyLinearScalingParameter.ActualValue.Value); } if (CountEvaluations) { lock (locker) { FunctionEvaluationsResultParameter.ActualValue.Value += counter.FunctionEvaluations; GradientEvaluationsResultParameter.ActualValue.Value += counter.GradientEvaluations; } } } else { var evaluationRows = GenerateRowsToEvaluate(); quality = SymbolicRegressionSingleObjectivePearsonRSquaredEvaluator.Calculate(SymbolicDataAnalysisTreeInterpreterParameter.ActualValue, solution, EstimationLimitsParameter.ActualValue.Lower, EstimationLimitsParameter.ActualValue.Upper, ProblemDataParameter.ActualValue, evaluationRows, ApplyLinearScalingParameter.ActualValue.Value); } QualityParameter.ActualValue = new DoubleValue(quality); return base.InstrumentedApply(); } public override double Evaluate(IExecutionContext context, ISymbolicExpressionTree tree, IRegressionProblemData problemData, IEnumerable rows) { SymbolicDataAnalysisTreeInterpreterParameter.ExecutionContext = context; EstimationLimitsParameter.ExecutionContext = context; ApplyLinearScalingParameter.ExecutionContext = context; FunctionEvaluationsResultParameter.ExecutionContext = context; GradientEvaluationsResultParameter.ExecutionContext = context; // Pearson R² evaluator is used on purpose instead of the const-opt evaluator, // because Evaluate() is used to get the quality of evolved models on // different partitions of the dataset (e.g., best validation model) double r2 = SymbolicRegressionSingleObjectivePearsonRSquaredEvaluator.Calculate(SymbolicDataAnalysisTreeInterpreterParameter.ActualValue, tree, EstimationLimitsParameter.ActualValue.Lower, EstimationLimitsParameter.ActualValue.Upper, problemData, rows, ApplyLinearScalingParameter.ActualValue.Value); SymbolicDataAnalysisTreeInterpreterParameter.ExecutionContext = null; EstimationLimitsParameter.ExecutionContext = null; ApplyLinearScalingParameter.ExecutionContext = null; FunctionEvaluationsResultParameter.ExecutionContext = null; GradientEvaluationsResultParameter.ExecutionContext = null; return r2; } public class EvaluationsCounter { public int FunctionEvaluations = 0; public int GradientEvaluations = 0; } private static void GetParameterNodes(ISymbolicExpressionTree tree, out List thetaNodes, out List thetaValues) { thetaNodes = new List(); thetaValues = new List(); var nodes = tree.IterateNodesPrefix().ToArray(); for (int i = 0; i < nodes.Length; ++i) { var node = nodes[i]; if (node is VariableTreeNode variableTreeNode) { thetaValues.Add(variableTreeNode.Weight); thetaNodes.Add(node); } else if (node is ConstantTreeNode constantTreeNode) { thetaNodes.Add(node); thetaValues.Add(constantTreeNode.Value); } } } public static double OptimizeConstants(ISymbolicDataAnalysisExpressionTreeInterpreter interpreter, ISymbolicExpressionTree tree, IRegressionProblemData problemData, IEnumerable rows, bool applyLinearScaling, int maxIterations, bool updateVariableWeights = true, double lowerEstimationLimit = double.MinValue, double upperEstimationLimit = double.MaxValue, bool updateConstantsInTree = true, Action iterationCallback = null, EvaluationsCounter counter = null) { if (!updateVariableWeights) throw new NotSupportedException(); // // numeric constants in the tree become variables for constant opt // // variables in the tree become parameters (fixed values) for constant opt // // for each parameter (variable in the original tree) we store the // // variable name, variable value (for factor vars) and lag as a DataForVariable object. // // A dictionary is used to find parameters // double[] initialConstants; // var parameters = new List(); // // TreeToAutoDiffTermConverter.ParametricFunction func; // TreeToAutoDiffTermConverter.ParametricFunctionGradient func_grad; // if (!TreeToAutoDiffTermConverter.TryConvertToAutoDiff(tree, updateVariableWeights, applyLinearScaling, out parameters, out initialConstants, out func, out func_grad)) // throw new NotSupportedException("Could not optimize constants of symbolic expression tree due to not supported symbols used in the tree."); // if (parameters.Count == 0) return 0.0; // gkronber: constant expressions always have a R² of 0.0 // var parameterEntries = parameters.ToArray(); // order of entries must be the same for x GetParameterNodes(tree, out List thetaNodes, out List thetaValues); var initialConstants = thetaValues.ToArray(); //extract inital constants double[] c; if (applyLinearScaling) { c = new double[initialConstants.Length + 2]; c[0] = 0.0; c[1] = 1.0; Array.Copy(initialConstants, 0, c, 2, initialConstants.Length); } else { c = (double[])initialConstants.Clone(); } double originalQuality = SymbolicRegressionSingleObjectivePearsonRSquaredEvaluator.Calculate(interpreter, tree, lowerEstimationLimit, upperEstimationLimit, problemData, rows, applyLinearScaling); if (counter == null) counter = new EvaluationsCounter(); var rowEvaluationsCounter = new EvaluationsCounter(); alglib.minlmstate state; alglib.minlmreport rep; IDataset ds = problemData.Dataset; double[] y = ds.GetDoubleValues(problemData.TargetVariable, rows).ToArray(); int n = y.Length; int k = c.Length; var trainRows = problemData.TrainingIndices.ToArray(); var parameterNodes = thetaNodes.ToArray(); alglib.ndimensional_fvec function_cx_1_func = CreateFunc(tree, new VectorEvaluator(), parameterNodes, ds, problemData.TargetVariable, trainRows); alglib.ndimensional_jac function_cx_1_jac = CreateJac(tree, new VectorAutoDiffEvaluator(), parameterNodes, ds, problemData.TargetVariable, trainRows); alglib.ndimensional_rep xrep = (p, f, obj) => iterationCallback(p, f, obj); try { alglib.minlmcreatevj(n, c, out state); alglib.minlmsetcond(state, 0.0, maxIterations); alglib.minlmsetxrep(state, iterationCallback != null); // alglib.minlmsetgradientcheck(state, 0.001); alglib.minlmoptimize(state, function_cx_1_func, function_cx_1_jac, xrep, rowEvaluationsCounter); alglib.minlmresults(state, out c, out rep); } catch (ArithmeticException) { return originalQuality; } catch (alglib.alglibexception) { return originalQuality; } counter.FunctionEvaluations += rowEvaluationsCounter.FunctionEvaluations / n; counter.GradientEvaluations += rowEvaluationsCounter.GradientEvaluations / n; //retVal == -7 => constant optimization failed due to wrong gradient if (rep.terminationtype != -7) { if (applyLinearScaling) { var tmp = new double[c.Length - 2]; Array.Copy(c, 2, tmp, 0, tmp.Length); UpdateConstants(parameterNodes, tmp); } else UpdateConstants(parameterNodes, c); } var quality = SymbolicRegressionSingleObjectivePearsonRSquaredEvaluator.Calculate(interpreter, tree, lowerEstimationLimit, upperEstimationLimit, problemData, rows, applyLinearScaling); if (!updateConstantsInTree) UpdateConstants(parameterNodes, initialConstants); if (originalQuality - quality > 0.001 || double.IsNaN(quality)) { UpdateConstants(parameterNodes, initialConstants); return originalQuality; } return quality; } private static void UpdateConstants(ISymbolicExpressionTreeNode[] nodes, double[] constants) { if (nodes.Length != constants.Length) throw new InvalidOperationException(); for(int i = 0;i { UpdateConstants(parameterNodes, c); var pred = eval.Evaluate(tree, ds, rows); for (int i = 0; i < fi.Length; i++) fi[i] = pred[i] - y[i]; var counter = (EvaluationsCounter)o; counter.FunctionEvaluations++; }; } private static alglib.ndimensional_jac CreateJac(ISymbolicExpressionTree tree, VectorAutoDiffEvaluator eval, ISymbolicExpressionTreeNode[] parameterNodes, IDataset ds, string targetVar, int[] rows) { var y = ds.GetDoubleValues(targetVar, rows).ToArray(); return (double[] c, double[] fi, double[,] jac, object o) => { UpdateConstants(parameterNodes, c); eval.Evaluate(tree, ds, rows, parameterNodes, fi, jac); for (int i = 0; i < fi.Length; i++) fi[i] -= y[i]; var counter = (EvaluationsCounter)o; counter.GradientEvaluations++; }; } public static bool CanOptimizeConstants(ISymbolicExpressionTree tree) { return TreeToAutoDiffTermConverter.IsCompatible(tree); } } }