#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; using System.Runtime.InteropServices; namespace HeuristicLab.Problems.DataAnalysis.Symbolic.Regression { [Item("NLOpt Evaluator (with constraints)", "")] [StorableType("5FADAE55-3516-4539-8A36-BC9B0D00880D")] public class NLOptEvaluator : 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 IConstrainedValueParameter SolverParameter { get { return (IConstrainedValueParameter)Parameters["Solver"]; } } 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 string Solver { get { return SolverParameter.Value.Value; } } public override bool Maximization { get { return false; } } [StorableConstructor] protected NLOptEvaluator(StorableConstructorFlag _) : base(_) { } protected NLOptEvaluator(NLOptEvaluator original, Cloner cloner) : base(original, cloner) { } public NLOptEvaluator() : 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))); var validSolvers = new ItemSet(new[] { "MMA", "COBYLA", "CCSAQ", "ISRES" }.Select(s => new StringValue(s).AsReadOnly())); Parameters.Add(new ConstrainedValueParameter("Solver", "The solver algorithm", validSolvers, validSolvers.First())); 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 NLOptEvaluator(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, Solver, ConstantOptimizationIterations.Value, updateVariableWeights: UpdateVariableWeights, lowerEstimationLimit: EstimationLimitsParameter.ActualValue.Lower, upperEstimationLimit: EstimationLimitsParameter.ActualValue.Upper, updateConstantsInTree: UpdateConstantsInTree, counter: counter); if (ConstantOptimizationRowsPercentage.Value != RelativeNumberOfEvaluatedSamplesParameter.ActualValue.Value) { throw new NotSupportedException(); } if (CountEvaluations) { lock (locker) { FunctionEvaluationsResultParameter.ActualValue.Value += counter.FunctionEvaluations; GradientEvaluationsResultParameter.ActualValue.Value += counter.GradientEvaluations; } } } else { throw new NotSupportedException(); } 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; // MSE 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 mse = SymbolicRegressionSingleObjectiveMeanSquaredErrorEvaluator.Calculate(SymbolicDataAnalysisTreeInterpreterParameter.ActualValue, tree, double.MinValue, double.MaxValue, problemData, rows, applyLinearScaling: false); SymbolicDataAnalysisTreeInterpreterParameter.ExecutionContext = null; EstimationLimitsParameter.ExecutionContext = null; ApplyLinearScalingParameter.ExecutionContext = null; FunctionEvaluationsResultParameter.ExecutionContext = null; GradientEvaluationsResultParameter.ExecutionContext = null; return mse; } 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); } } } // for data exchange to/from optimizer in native code [StructLayout(LayoutKind.Sequential)] private struct ConstraintData { public ISymbolicExpressionTree Tree; public ISymbolicExpressionTreeNode[] ParameterNodes; } public static double OptimizeConstants(ISymbolicDataAnalysisExpressionTreeInterpreter interpreter, ISymbolicExpressionTree tree, IRegressionProblemData problemData, IEnumerable rows, bool applyLinearScaling, string solver, 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("not updating variable weights is not supported"); if (!updateConstantsInTree) throw new NotSupportedException("not updating tree parameters is not supported"); if (!applyLinearScaling) throw new NotSupportedException("application without linear scaling is not supported"); // we always update constants, so we don't need to calculate initial quality // double originalQuality = SymbolicRegressionSingleObjectiveMeanSquaredErrorEvaluator.Calculate(interpreter, tree, lowerEstimationLimit, upperEstimationLimit, problemData, rows, applyLinearScaling: false); if (counter == null) counter = new EvaluationsCounter(); var rowEvaluationsCounter = new EvaluationsCounter(); var intervalConstraints = problemData.IntervalConstraints; var dataIntervals = problemData.VariableRanges.GetIntervals(); var trainingRows = problemData.TrainingIndices.ToArray(); // buffers var target = problemData.TargetVariableTrainingValues.ToArray(); var targetStDev = target.StandardDeviationPop(); var targetVariance = targetStDev * targetStDev; var targetMean = target.Average(); var pred = interpreter.GetSymbolicExpressionTreeValues(tree, problemData.Dataset, trainingRows).ToArray(); if (pred.Any(pi => double.IsInfinity(pi) || double.IsNaN(pi))) return targetVariance; #region linear scaling var predStDev = pred.StandardDeviationPop(); if (predStDev == 0) return targetVariance; // constant expression var predMean = pred.Average(); var scalingFactor = targetStDev / predStDev; var offset = targetMean - predMean * scalingFactor; ISymbolicExpressionTree scaledTree = null; if (applyLinearScaling) scaledTree = CopyAndScaleTree(tree, scalingFactor, offset); #endregion // convert constants to variables named theta... var treeForDerivation = ReplaceConstWithVar(scaledTree, out List thetaNames, out List thetaValues); // copies the tree // create trees for relevant derivatives Dictionary derivatives = new Dictionary(); var allThetaNodes = thetaNames.Select(_ => new List()).ToArray(); var constraintTrees = new List(); foreach (var constraint in intervalConstraints.Constraints) { if (constraint.IsDerivation) { if (!problemData.AllowedInputVariables.Contains(constraint.Variable)) throw new ArgumentException($"Invalid constraint: the variable {constraint.Variable} does not exist in the dataset."); var df = DerivativeCalculator.Derive(treeForDerivation, constraint.Variable); // alglib requires constraint expressions of the form c(x) <= 0 // -> we make two expressions, one for the lower bound and one for the upper bound if (constraint.Interval.UpperBound < double.PositiveInfinity) { var df_smaller_upper = Subtract((ISymbolicExpressionTree)df.Clone(), CreateConstant(constraint.Interval.UpperBound)); // convert variables named theta back to constants var df_prepared = ReplaceVarWithConst(df_smaller_upper, thetaNames, thetaValues, allThetaNodes); constraintTrees.Add(df_prepared); } if (constraint.Interval.LowerBound > double.NegativeInfinity) { var df_larger_lower = Subtract(CreateConstant(constraint.Interval.LowerBound), (ISymbolicExpressionTree)df.Clone()); // convert variables named theta back to constants var df_prepared = ReplaceVarWithConst(df_larger_lower, thetaNames, thetaValues, allThetaNodes); constraintTrees.Add(df_prepared); } } else { if (constraint.Interval.UpperBound < double.PositiveInfinity) { var f_smaller_upper = Subtract((ISymbolicExpressionTree)treeForDerivation.Clone(), CreateConstant(constraint.Interval.UpperBound)); // convert variables named theta back to constants var df_prepared = ReplaceVarWithConst(f_smaller_upper, thetaNames, thetaValues, allThetaNodes); constraintTrees.Add(df_prepared); } if (constraint.Interval.LowerBound > double.NegativeInfinity) { var f_larger_lower = Subtract(CreateConstant(constraint.Interval.LowerBound), (ISymbolicExpressionTree)treeForDerivation.Clone()); // convert variables named theta back to constants var df_prepared = ReplaceVarWithConst(f_larger_lower, thetaNames, thetaValues, allThetaNodes); constraintTrees.Add(df_prepared); } } } var preparedTree = ReplaceVarWithConst(treeForDerivation, thetaNames, thetaValues, allThetaNodes); var preparedTreeParameterNodes = GetParameterNodes(preparedTree, allThetaNodes); // local function void UpdateThetaValues(double[] theta) { for (int i = 0; i < theta.Length; ++i) { foreach (var constNode in allThetaNodes[i]) constNode.Value = theta[i]; } } var fi_eval = new double[target.Length]; var jac_eval = new double[target.Length, thetaValues.Count]; double calculate_obj(uint dim, double[] curX, double[] grad, IntPtr data) { UpdateThetaValues(curX); if (grad != null) { var autoDiffEval = new VectorAutoDiffEvaluator(); autoDiffEval.Evaluate(preparedTree, problemData.Dataset, trainingRows, preparedTreeParameterNodes, fi_eval, jac_eval); // calc sum of squared errors and gradient var sse = 0.0; for (int j = 0; j < grad.Length; j++) grad[j] = 0; for (int i = 0; i < target.Length; i++) { var r = target[i] - fi_eval[i]; sse += 0.5 * r * r; for (int j = 0; j < grad.Length; j++) { grad[j] -= r * jac_eval[i, j]; } } if (double.IsNaN(sse)) return double.MaxValue; // average for (int j = 0; j < grad.Length; j++) { grad[j] /= target.Length; } return sse / target.Length; } else { var eval = new VectorEvaluator(); var prediction = eval.Evaluate(preparedTree, problemData.Dataset, trainingRows); // calc sum of squared errors and gradient var sse = 0.0; for (int i = 0; i < target.Length; i++) { var r = target[i] - prediction[i]; sse += 0.5 * r * r; } if (double.IsNaN(sse)) return double.MaxValue; // average return sse / target.Length; } } double calculate_constraint(uint dim, double[] curX, double[] grad, IntPtr data) { UpdateThetaValues(curX); var intervalEvaluator = new IntervalEvaluator(); var constraintData = Marshal.PtrToStructure(data); if (grad != null) for (int j = 0; j < grad.Length; j++) grad[j] = 0; // clear grad var interval = intervalEvaluator.Evaluate(constraintData.Tree, dataIntervals, constraintData.ParameterNodes, out double[] lowerGradient, out double[] upperGradient); // we transformed this to a constraint c(x) <= 0, so only the upper bound is relevant for us if (grad != null) for (int j = 0; j < grad.Length; j++) { grad[j] = upperGradient[j]; } if (double.IsNaN(interval.UpperBound)) return double.MaxValue; else return interval.UpperBound; } var minVal = Math.Min(-1000.0, thetaValues.Min()); var maxVal = Math.Max(1000.0, thetaValues.Max()); var lb = Enumerable.Repeat(minVal, thetaValues.Count).ToArray(); var up = Enumerable.Repeat(maxVal, thetaValues.Count).ToArray(); IntPtr nlopt_opt = NLOpt.nlopt_create(GetAlgFromIdentifier(solver), (uint)thetaValues.Count); /* algorithm and dimensionality */ NLOpt.nlopt_set_lower_bounds(nlopt_opt, lb); NLOpt.nlopt_set_upper_bounds(nlopt_opt, up); var calculateObjectiveDelegate = new NLOpt.nlopt_func(calculate_obj); // keep a reference to the delegate (see below) NLOpt.nlopt_set_min_objective(nlopt_opt, calculateObjectiveDelegate, IntPtr.Zero); var constraintDataPtr = new IntPtr[constraintTrees.Count]; var calculateConstraintDelegates = new NLOpt.nlopt_func[constraintTrees.Count]; // make sure we keep a reference to the delegates (otherwise GC will free delegate objects see https://stackoverflow.com/questions/7302045/callback-delegates-being-collected#7302258) for (int i = 0; i < constraintTrees.Count; i++) { var constraintData = new ConstraintData() { Tree = constraintTrees[i], ParameterNodes = GetParameterNodes(constraintTrees[i], allThetaNodes) }; constraintDataPtr[i] = Marshal.AllocHGlobal(Marshal.SizeOf()); Marshal.StructureToPtr(constraintData, constraintDataPtr[i], fDeleteOld: false); calculateConstraintDelegates[i] = new NLOpt.nlopt_func(calculate_constraint); NLOpt.nlopt_add_inequality_constraint(nlopt_opt, calculateConstraintDelegates[i], constraintDataPtr[i], 1e-8); } NLOpt.nlopt_set_xtol_rel(nlopt_opt, 1e-4); NLOpt.nlopt_set_maxtime(nlopt_opt, 10.0); // 10 secs NLOpt.nlopt_set_maxeval(nlopt_opt, maxIterations); var x = thetaValues.ToArray(); /* initial guess */ double minf = double.MaxValue; /* minimum objective value upon return */ var res = NLOpt.nlopt_optimize(nlopt_opt, x, ref minf); if (res < 0) { throw new InvalidOperationException($"NLOpt failed {res} {NLOpt.nlopt_get_errmsg(nlopt_opt)}"); } else { // update parameters in tree var pIdx = 0; // here we lose the two last parameters (for linear scaling) foreach (var node in tree.IterateNodesPostfix()) { if (node is ConstantTreeNode constTreeNode) { constTreeNode.Value = x[pIdx++]; } else if (node is VariableTreeNode varTreeNode) { varTreeNode.Weight = x[pIdx++]; } } // note: we keep the optimized constants even when the tree is worse. // assert that we lose the last two parameters if (pIdx != x.Length - 2) throw new InvalidProgramException(); } NLOpt.nlopt_destroy(nlopt_opt); for (int i = 0; i < constraintDataPtr.Length; i++) Marshal.FreeHGlobal(constraintDataPtr[i]); counter.FunctionEvaluations += NLOpt.nlopt_get_numevals(nlopt_opt); // counter.GradientEvaluations += NLOpt.nlopt_get; // TODO return Math.Min(minf, targetVariance); } private static NLOpt.nlopt_algorithm GetAlgFromIdentifier(string solver) { if (solver.Contains("MMA")) return NLOpt.nlopt_algorithm.NLOPT_LD_MMA; if (solver.Contains("COBYLA")) return NLOpt.nlopt_algorithm.NLOPT_LN_COBYLA; if (solver.Contains("CCSAQ")) return NLOpt.nlopt_algorithm.NLOPT_LD_CCSAQ; if (solver.Contains("ISRES")) return NLOpt.nlopt_algorithm.NLOPT_GN_ISRES; throw new ArgumentException($"Unknown solver {solver}"); } private static ISymbolicExpressionTree CopyAndScaleTree(ISymbolicExpressionTree tree, double scalingFactor, double offset) { var m = (ISymbolicExpressionTree)tree.Clone(); var add = MakeNode(MakeNode(m.Root.GetSubtree(0).GetSubtree(0), CreateConstant(scalingFactor)), CreateConstant(offset)); m.Root.GetSubtree(0).RemoveSubtree(0); m.Root.GetSubtree(0).AddSubtree(add); return m; } #region helper private static ISymbolicExpressionTreeNode[] GetParameterNodes(ISymbolicExpressionTree tree, List[] allNodes) { // TODO better solution necessary var treeConstNodes = tree.IterateNodesPostfix().OfType().ToArray(); var paramNodes = new ISymbolicExpressionTreeNode[allNodes.Length]; for (int i = 0; i < paramNodes.Length; i++) { paramNodes[i] = allNodes[i].SingleOrDefault(n => treeConstNodes.Contains(n)); } return paramNodes; } private static ISymbolicExpressionTree ReplaceVarWithConst(ISymbolicExpressionTree tree, List thetaNames, List thetaValues, List[] thetaNodes) { var copy = (ISymbolicExpressionTree)tree.Clone(); var nodes = copy.IterateNodesPostfix().ToList(); for (int i = 0; i < nodes.Count; i++) { var n = nodes[i] as VariableTreeNode; if (n != null) { var thetaIdx = thetaNames.IndexOf(n.VariableName); if (thetaIdx >= 0) { var parent = n.Parent; if (thetaNodes[thetaIdx].Any()) { // HACK: REUSE CONSTANT TREE NODE IN SEVERAL TREES // we use this trick to allow autodiff over thetas when thetas occurr multiple times in the tree (e.g. in derived trees) var constNode = thetaNodes[thetaIdx].First(); var childIdx = parent.IndexOfSubtree(n); parent.RemoveSubtree(childIdx); parent.InsertSubtree(childIdx, constNode); } else { var constNode = (ConstantTreeNode)CreateConstant(thetaValues[thetaIdx]); var childIdx = parent.IndexOfSubtree(n); parent.RemoveSubtree(childIdx); parent.InsertSubtree(childIdx, constNode); thetaNodes[thetaIdx].Add(constNode); } } } } return copy; } private static ISymbolicExpressionTree ReplaceConstWithVar(ISymbolicExpressionTree tree, out List thetaNames, out List thetaValues) { thetaNames = new List(); thetaValues = new List(); var copy = (ISymbolicExpressionTree)tree.Clone(); var nodes = copy.IterateNodesPostfix().ToList(); int n = 1; for (int i = 0; i < nodes.Count; ++i) { var node = nodes[i]; if (node is ConstantTreeNode constantTreeNode) { var thetaVar = (VariableTreeNode)new Problems.DataAnalysis.Symbolic.Variable().CreateTreeNode(); thetaVar.Weight = 1; thetaVar.VariableName = $"θ{n++}"; thetaNames.Add(thetaVar.VariableName); thetaValues.Add(constantTreeNode.Value); var parent = constantTreeNode.Parent; if (parent != null) { var index = constantTreeNode.Parent.IndexOfSubtree(constantTreeNode); parent.RemoveSubtree(index); parent.InsertSubtree(index, thetaVar); } } if (node is VariableTreeNode varTreeNode) { var thetaVar = (VariableTreeNode)new Problems.DataAnalysis.Symbolic.Variable().CreateTreeNode(); thetaVar.Weight = 1; thetaVar.VariableName = $"θ{n++}"; thetaNames.Add(thetaVar.VariableName); thetaValues.Add(varTreeNode.Weight); var parent = varTreeNode.Parent; if (parent != null) { var index = varTreeNode.Parent.IndexOfSubtree(varTreeNode); parent.RemoveSubtree(index); var prodNode = MakeNode(); varTreeNode.Weight = 1.0; prodNode.AddSubtree(varTreeNode); prodNode.AddSubtree(thetaVar); parent.InsertSubtree(index, prodNode); } } } return copy; } private static ISymbolicExpressionTreeNode CreateConstant(double value) { var constantNode = (ConstantTreeNode)new Constant().CreateTreeNode(); constantNode.Value = value; return constantNode; } private static ISymbolicExpressionTree Subtract(ISymbolicExpressionTree t, ISymbolicExpressionTreeNode b) { var sub = MakeNode(t.Root.GetSubtree(0).GetSubtree(0), b); t.Root.GetSubtree(0).RemoveSubtree(0); t.Root.GetSubtree(0).InsertSubtree(0, sub); return t; } private static ISymbolicExpressionTree Subtract(ISymbolicExpressionTreeNode b, ISymbolicExpressionTree t) { var sub = MakeNode(b, t.Root.GetSubtree(0).GetSubtree(0)); t.Root.GetSubtree(0).RemoveSubtree(0); t.Root.GetSubtree(0).InsertSubtree(0, sub); return t; } private static ISymbolicExpressionTreeNode MakeNode(params ISymbolicExpressionTreeNode[] fs) where T : ISymbol, new() { var node = new T().CreateTreeNode(); foreach (var f in fs) node.AddSubtree(f); return node; } #endregion private static void UpdateConstants(ISymbolicExpressionTreeNode[] nodes, double[] constants) { if (nodes.Length != constants.Length) throw new InvalidOperationException(); for (int i = 0; i < nodes.Length; i++) { if (nodes[i] is VariableTreeNode varNode) varNode.Weight = constants[i]; else if (nodes[i] is ConstantTreeNode constNode) constNode.Value = constants[i]; } } private static alglib.ndimensional_fvec CreateFunc(ISymbolicExpressionTree tree, VectorEvaluator eval, ISymbolicExpressionTreeNode[] parameterNodes, IDataset ds, string targetVar, int[] rows) { var y = ds.GetDoubleValues(targetVar, rows).ToArray(); return (double[] c, double[] fi, object o) => { 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); } } }