#region License Information /* HeuristicLab * Copyright (C) 2002-2016 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.Linq; using System.Runtime.CompilerServices; using System.Threading; using HeuristicLab.Algorithms.DataAnalysis.MctsSymbolicRegression.Policies; using HeuristicLab.Analysis; using HeuristicLab.Common; using HeuristicLab.Core; using HeuristicLab.Data; using HeuristicLab.Optimization; using HeuristicLab.Parameters; using HeuristicLab.Persistence.Default.CompositeSerializers.Storable; using HeuristicLab.Problems.DataAnalysis; namespace HeuristicLab.Algorithms.DataAnalysis.MctsSymbolicRegression { [Item("MCTS Symbolic Regression", "Monte carlo tree search for symbolic regression. Useful mainly as a base learner in gradient boosting.")] [StorableClass] [Creatable(CreatableAttribute.Categories.DataAnalysisRegression, Priority = 250)] public class MctsSymbolicRegressionAlgorithm : BasicAlgorithm { public override Type ProblemType { get { return typeof(IRegressionProblem); } } public new IRegressionProblem Problem { get { return (IRegressionProblem)base.Problem; } set { base.Problem = value; } } #region ParameterNames private const string IterationsParameterName = "Iterations"; private const string MaxVariablesParameterName = "Maximum variables"; private const string ScaleVariablesParameterName = "Scale variables"; private const string AllowedFactorsParameterName = "Allowed factors"; private const string ConstantOptimizationIterationsParameterName = "Iterations (constant optimization)"; private const string PolicyParameterName = "Policy"; private const string SeedParameterName = "Seed"; private const string SetSeedRandomlyParameterName = "SetSeedRandomly"; private const string UpdateIntervalParameterName = "UpdateInterval"; private const string CreateSolutionParameterName = "CreateSolution"; private const string PunishmentFactorParameterName = "PunishmentFactor"; private const string VariableProductFactorName = "product(xi)"; private const string ExpFactorName = "exp(c * product(xi))"; private const string LogFactorName = "log(c + sum(c*product(xi))"; private const string InvFactorName = "1 / (1 + sum(c*product(xi))"; private const string FactorSumsName = "sum of multiple terms"; #endregion #region ParameterProperties public IFixedValueParameter IterationsParameter { get { return (IFixedValueParameter)Parameters[IterationsParameterName]; } } public IFixedValueParameter MaxVariableReferencesParameter { get { return (IFixedValueParameter)Parameters[MaxVariablesParameterName]; } } public IFixedValueParameter ScaleVariablesParameter { get { return (IFixedValueParameter)Parameters[ScaleVariablesParameterName]; } } public IFixedValueParameter ConstantOptimizationIterationsParameter { get { return (IFixedValueParameter)Parameters[ConstantOptimizationIterationsParameterName]; } } public IValueParameter PolicyParameter { get { return (IValueParameter)Parameters[PolicyParameterName]; } } public IFixedValueParameter PunishmentFactorParameter { get { return (IFixedValueParameter)Parameters[PunishmentFactorParameterName]; } } public IValueParameter> AllowedFactorsParameter { get { return (IValueParameter>)Parameters[AllowedFactorsParameterName]; } } public IFixedValueParameter SeedParameter { get { return (IFixedValueParameter)Parameters[SeedParameterName]; } } public FixedValueParameter SetSeedRandomlyParameter { get { return (FixedValueParameter)Parameters[SetSeedRandomlyParameterName]; } } public IFixedValueParameter UpdateIntervalParameter { get { return (IFixedValueParameter)Parameters[UpdateIntervalParameterName]; } } public IFixedValueParameter CreateSolutionParameter { get { return (IFixedValueParameter)Parameters[CreateSolutionParameterName]; } } #endregion #region Properties public int Iterations { get { return IterationsParameter.Value.Value; } set { IterationsParameter.Value.Value = value; } } public int Seed { get { return SeedParameter.Value.Value; } set { SeedParameter.Value.Value = value; } } public bool SetSeedRandomly { get { return SetSeedRandomlyParameter.Value.Value; } set { SetSeedRandomlyParameter.Value.Value = value; } } public int MaxVariableReferences { get { return MaxVariableReferencesParameter.Value.Value; } set { MaxVariableReferencesParameter.Value.Value = value; } } public IPolicy Policy { get { return PolicyParameter.Value; } set { PolicyParameter.Value = value; } } public double PunishmentFactor { get { return PunishmentFactorParameter.Value.Value; } set { PunishmentFactorParameter.Value.Value = value; } } public ICheckedItemList AllowedFactors { get { return AllowedFactorsParameter.Value; } } public int ConstantOptimizationIterations { get { return ConstantOptimizationIterationsParameter.Value.Value; } set { ConstantOptimizationIterationsParameter.Value.Value = value; } } public bool ScaleVariables { get { return ScaleVariablesParameter.Value.Value; } set { ScaleVariablesParameter.Value.Value = value; } } public bool CreateSolution { get { return CreateSolutionParameter.Value.Value; } set { CreateSolutionParameter.Value.Value = value; } } #endregion [StorableConstructor] protected MctsSymbolicRegressionAlgorithm(bool deserializing) : base(deserializing) { } protected MctsSymbolicRegressionAlgorithm(MctsSymbolicRegressionAlgorithm original, Cloner cloner) : base(original, cloner) { } public override IDeepCloneable Clone(Cloner cloner) { return new MctsSymbolicRegressionAlgorithm(this, cloner); } public MctsSymbolicRegressionAlgorithm() { Problem = new RegressionProblem(); // default problem var defaultFactorsList = new CheckedItemList( new string[] { VariableProductFactorName, ExpFactorName, LogFactorName, InvFactorName, FactorSumsName } .Select(s => new StringValue(s).AsReadOnly()) ).AsReadOnly(); defaultFactorsList.SetItemCheckedState(defaultFactorsList.First(s => s.Value == FactorSumsName), false); Parameters.Add(new FixedValueParameter(IterationsParameterName, "Number of iterations", new IntValue(100000))); Parameters.Add(new FixedValueParameter(SeedParameterName, "The random seed used to initialize the new pseudo random number generator.", new IntValue(0))); Parameters.Add(new FixedValueParameter(SetSeedRandomlyParameterName, "True if the random seed should be set to a random value, otherwise false.", new BoolValue(true))); Parameters.Add(new FixedValueParameter(MaxVariablesParameterName, "Maximal number of variables references in the symbolic regression models (multiple usages of the same variable are counted)", new IntValue(5))); // Parameters.Add(new FixedValueParameter(CParameterName, // "Balancing parameter in UCT formula (0 < c < 1000). Small values: greedy search. Large values: enumeration. Default: 1.0", new DoubleValue(1.0))); Parameters.Add(new ValueParameter(PolicyParameterName, "The policy to use for selecting nodes in MCTS (e.g. Ucb)", new Ucb())); PolicyParameter.Hidden = true; Parameters.Add(new ValueParameter>(AllowedFactorsParameterName, "Choose which expressions are allowed as factors in the model.", defaultFactorsList)); Parameters.Add(new FixedValueParameter(ConstantOptimizationIterationsParameterName, "Number of iterations for constant optimization. A small number of iterations should be sufficient for most models. " + "Set to 0 to disable constants optimization.", new IntValue(10))); Parameters.Add(new FixedValueParameter(ScaleVariablesParameterName, "Set to true to scale all input variables to the range [0..1]", new BoolValue(false))); Parameters[ScaleVariablesParameterName].Hidden = true; Parameters.Add(new FixedValueParameter(PunishmentFactorParameterName, "Estimations of models can be bounded. The estimation limits are calculated in the following way (lb = mean(y) - punishmentFactor*range(y), ub = mean(y) + punishmentFactor*range(y))", new DoubleValue(10))); Parameters[PunishmentFactorParameterName].Hidden = true; Parameters.Add(new FixedValueParameter(UpdateIntervalParameterName, "Number of iterations until the results are updated", new IntValue(100))); Parameters[UpdateIntervalParameterName].Hidden = true; Parameters.Add(new FixedValueParameter(CreateSolutionParameterName, "Flag that indicates if a solution should be produced at the end of the run", new BoolValue(true))); Parameters[CreateSolutionParameterName].Hidden = true; } [StorableHook(HookType.AfterDeserialization)] private void AfterDeserialization() { } protected override void Run(CancellationToken cancellationToken) { // Set up the algorithm if (SetSeedRandomly) Seed = new System.Random().Next(); // Set up the results display var iterations = new IntValue(0); Results.Add(new Result("Iterations", iterations)); var bestSolutionIteration = new IntValue(0); Results.Add(new Result("Best solution iteration", bestSolutionIteration)); var table = new DataTable("Qualities"); table.Rows.Add(new DataRow("Best quality")); table.Rows.Add(new DataRow("Current best quality")); table.Rows.Add(new DataRow("Average quality")); Results.Add(new Result("Qualities", table)); var bestQuality = new DoubleValue(); Results.Add(new Result("Best quality", bestQuality)); var curQuality = new DoubleValue(); Results.Add(new Result("Current best quality", curQuality)); var avgQuality = new DoubleValue(); Results.Add(new Result("Average quality", avgQuality)); var totalRollouts = new IntValue(); Results.Add(new Result("Total rollouts", totalRollouts)); var effRollouts = new IntValue(); Results.Add(new Result("Effective rollouts", effRollouts)); var funcEvals = new IntValue(); Results.Add(new Result("Function evaluations", funcEvals)); var gradEvals = new IntValue(); Results.Add(new Result("Gradient evaluations", gradEvals)); // same as in SymbolicRegressionSingleObjectiveProblem var y = Problem.ProblemData.Dataset.GetDoubleValues(Problem.ProblemData.TargetVariable, Problem.ProblemData.TrainingIndices); var avgY = y.Average(); var minY = y.Min(); var maxY = y.Max(); var range = maxY - minY; var lowerLimit = avgY - PunishmentFactor * range; var upperLimit = avgY + PunishmentFactor * range; // init var problemData = (IRegressionProblemData)Problem.ProblemData.Clone(); if (!AllowedFactors.CheckedItems.Any()) throw new ArgumentException("At least on type of factor must be allowed"); var state = MctsSymbolicRegressionStatic.CreateState(problemData, (uint)Seed, MaxVariableReferences, ScaleVariables, ConstantOptimizationIterations, Policy, lowerLimit, upperLimit, allowProdOfVars: AllowedFactors.CheckedItems.Any(s => s.Value.Value == VariableProductFactorName), allowExp: AllowedFactors.CheckedItems.Any(s => s.Value.Value == ExpFactorName), allowLog: AllowedFactors.CheckedItems.Any(s => s.Value.Value == LogFactorName), allowInv: AllowedFactors.CheckedItems.Any(s => s.Value.Value == InvFactorName), allowMultipleTerms: AllowedFactors.CheckedItems.Any(s => s.Value.Value == FactorSumsName) ); var updateInterval = UpdateIntervalParameter.Value.Value; double sumQ = 0.0; double bestQ = 0.0; double curBestQ = 0.0; int n = 0; // Loop until iteration limit reached or canceled. for (int i = 0; i < Iterations && !state.Done; i++) { cancellationToken.ThrowIfCancellationRequested(); var q = MctsSymbolicRegressionStatic.MakeStep(state); sumQ += q; // sum of qs in the last updateinterval iterations curBestQ = Math.Max(q, curBestQ); // the best q in the last updateinterval iterations bestQ = Math.Max(q, bestQ); // the best q overall n++; // iteration results if (n == updateInterval) { if (bestQ > bestQuality.Value) { bestSolutionIteration.Value = i; } bestQuality.Value = bestQ; curQuality.Value = curBestQ; avgQuality.Value = sumQ / n; sumQ = 0.0; curBestQ = 0.0; funcEvals.Value = state.FuncEvaluations; gradEvals.Value = state.GradEvaluations; effRollouts.Value = state.EffectiveRollouts; totalRollouts.Value = state.TotalRollouts; table.Rows["Best quality"].Values.Add(bestQuality.Value); table.Rows["Current best quality"].Values.Add(curQuality.Value); table.Rows["Average quality"].Values.Add(avgQuality.Value); iterations.Value += n; n = 0; } } // final results if (n > 0) { if (bestQ > bestQuality.Value) { bestSolutionIteration.Value = iterations.Value + n; } bestQuality.Value = bestQ; curQuality.Value = curBestQ; avgQuality.Value = sumQ / n; funcEvals.Value = state.FuncEvaluations; gradEvals.Value = state.GradEvaluations; effRollouts.Value = state.EffectiveRollouts; totalRollouts.Value = state.TotalRollouts; table.Rows["Best quality"].Values.Add(bestQuality.Value); table.Rows["Current best quality"].Values.Add(curQuality.Value); table.Rows["Average quality"].Values.Add(avgQuality.Value); iterations.Value = iterations.Value + n; } Results.Add(new Result("Best solution quality (train)", new DoubleValue(state.BestSolutionTrainingQuality))); Results.Add(new Result("Best solution quality (test)", new DoubleValue(state.BestSolutionTestQuality))); // produce solution if (CreateSolution) { var model = state.BestModel; // otherwise we produce a regression solution Results.Add(new Result("Solution", model.CreateRegressionSolution(problemData))); } } } }