' Copyright 2020 Daniel Wagner O. de Medeiros ' ' This file is part of DWSIM. ' ' DWSIM 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. ' ' DWSIM 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 DWSIM. If not, see . Namespace MathEx.Optimization Public Class NewtonSolver Public Property Tolerance As Double = 0.0001 Public Property MaxIterations As Integer = 100 Public Property EnableDamping As Boolean = True Public Property UseBroydenApproximation As Boolean = False Public Property ExpandFactor As Double = 1.5 Public Property MaximumDelta As Double = 0.5 Public Property Epsilon As Double = Double.NaN Private _Iterations As Integer = 0 Private fxb As Func(Of Double(), Double()) Private broydengrad As Double(,) Private brentsolver As New BrentOpt.BrentMinimize Private tmpx As Double(), tmpdx As Double() Private _jacobian As Boolean Private dfdx As Func(Of Double(), Double(,)) Private _error As Double Private _jac As Double(,) Public ReadOnly Property Jacobian As Double(,) Get Return _jac End Get End Property Public ReadOnly Property BuildingJacobian As Boolean Get Return _jacobian End Get End Property Public ReadOnly Property Iterations As Integer Get Return _Iterations End Get End Property Sub New() brentsolver.DefineFuncDelegate(AddressOf minimizeerror) End Sub Public Sub Reset() _Iterations = 0 _error = 0.0 End Sub Public Shared Function FindRoots(functionbody As Func(Of Double(), Double()), vars As Double(), maxits As Integer, tol As Double) As Double() Dim newton As New NewtonSolver newton.Tolerance = tol newton.MaxIterations = maxits Return newton.Solve(functionbody, vars) End Function ''' ''' Solves a system of non-linear equations [f(x) = 0] using newton's method. ''' ''' f(x) where x is a vector of double, returns the error values for each x ''' initial values for x ''' vector of variables which solve the equations according to the minimum allowable error value (tolerance). Function Solve(functionbody As Func(Of Double(), Double()), vars As Double()) As Double() Dim dfacs As Double() = New Double() {0.1, 0.2, 0.4, 0.6, 0.8, 1.0} Dim epsilons As Double() = New Double() {0.000000000001, 0.00000001, 0.0001, 0.001, 0.01, 0.1} Dim leave As Boolean = False Dim finalx As Double() = vars dfdx = Nothing If Not Double.IsNaN(Epsilon) Then epsilons = New Double() {Epsilon} If EnableDamping Then For Each d In dfacs If leave Then Exit For For Each eps In epsilons If leave Then Exit For Try finalx = solve_internal(d, eps, functionbody, vars) leave = True Catch ex As ArgumentException 'try next parameters End Try Next Next Else For Each eps In epsilons If leave Then Exit For Try finalx = solve_internal(1.0, eps, functionbody, vars) leave = True Catch ex As ArgumentException 'try next parameters End Try Next End If If Not leave Then Throw New Exception("Newton Convergence Error") Return finalx End Function ''' ''' Solves a system of non-linear equations [f(x) = 0] using newton's method. ''' ''' f(x) where x is a vector of double, returns the error values for each x ''' initial values for x ''' vector of variables which solve the equations according to the minimum allowable error value (tolerance). Function Solve(functionbody As Func(Of Double(), Double()), functiongradient As Func(Of Double(), Double(,)), vars As Double()) As Double() Dim dfacs As Double() = New Double() {0.1, 0.2, 0.4, 0.6, 0.8, 1.0} Dim epsilons As Double() = New Double() {0.000000000001, 0.00000001, 0.0001, 0.001, 0.01, 0.1} Dim leave As Boolean = False Dim finalx As Double() = vars dfdx = functiongradient If EnableDamping Then For Each d In dfacs If leave Then Exit For For Each eps In epsilons If leave Then Exit For Try finalx = solve_internal(d, eps, functionbody, vars) leave = True Catch ex As ArgumentException 'try next parameters End Try Next Next Else For Each eps In epsilons If leave Then Exit For Try finalx = solve_internal(1.0, eps, functionbody, vars) leave = True Catch ex As ArgumentException 'try next parameters End Try Next End If If Not leave Then Throw New Exception("Newton Convergence Error") Return finalx End Function Private Function solve_internal(mindamp As Double, epsilon As Double, functionbody As Func(Of Double(), Double()), vars As Double()) As Double() fxb = functionbody Dim fx(), x(), dx(), dfdx(,), df, fxsum, fxsum0 As Double Dim success As Boolean = False x = vars.Clone dx = x.Clone _Iterations = 0 Do If _Iterations = 0 Then fxsum0 = 1.0E+20 Else fxsum0 = MathEx.Common.SumSqr(fx) End If _jacobian = False fx = fxb.Invoke(x) _error = MathEx.Common.SumSqr(fx) fxsum = _error If fxsum < Tolerance Then Exit Do End If _jacobian = True dfdx = gradient(epsilon, x, fx) Dim A = MathNet.Numerics.LinearAlgebra.Matrix(Of Double).Build.DenseOfArray(dfdx) Dim B = MathNet.Numerics.LinearAlgebra.Vector(Of Double).Build.DenseOfArray(fx) dx = A.Solve(B).ToArray() 'SysLin.rsolve.rmatrixsolve(dfdx, fx, x.Length, dx) 'If success Then If Common.SumSqr(dx) < Tolerance And _Iterations > MaxIterations / 2 Then Exit Do End If If EnableDamping Then If _Iterations > 5 Then df = df * ExpandFactor If df > 1.0 Then df = 1.0 Else df = mindamp End If Else df = 1.0# End If For i = 0 To x.Length - 1 If Math.Abs(x(i)) < 1.0E-20 Then x(i) -= dx(i) * df Else If Math.Abs(dx(i) / x(i)) > MaximumDelta Then dx(i) = Math.Sign(dx(i)) * Math.Abs(x(i)) * MaximumDelta End If x(i) -= dx(i) * df End If Next 'Else ' For i = 0 To x.Length - 1 ' x(i) *= 0.999 ' Next 'End If _Iterations += 1 If _Iterations > 50 And fxsum > fxsum0 Then Throw New ArgumentException("not converging") End If If Double.IsNaN(fxsum) Then Throw New ArgumentException("not converging") End If Loop Until _Iterations > MaxIterations If _Iterations > MaxIterations Then Throw New ArgumentException("not converged") End If If dfdx Is Nothing Then dfdx = gradient(epsilon, x, fx) _jac = dfdx Return x End Function Private Function gradient(epsilon As Double, ByVal x() As Double, fx() As Double) As Double(,) Dim f1(), f2() As Double Dim g(x.Length - 1, x.Length - 1), x1(x.Length - 1), x2(x.Length - 1), dx(x.Length - 1), xbr(x.Length - 1), fbr(x.Length - 1) As Double Dim i, j, k, n As Integer n = x.Length - 1 If UseBroydenApproximation Then If broydengrad Is Nothing Then broydengrad = g.Clone() If _Iterations = 0 Then For i = 0 To n For j = 0 To n If i = j Then broydengrad(i, j) = 1.0 Else broydengrad(i, j) = 0.0 Next Next Broyden.broydn(n, x, fx, dx, xbr, fbr, broydengrad, 0) Else Broyden.broydn(n, x, fx, dx, xbr, fbr, broydengrad, 1) End If Return broydengrad Else If dfdx IsNot Nothing Then g = dfdx.Invoke(x) Else For i = 0 To x.Length - 1 For j = 0 To x.Length - 1 If i <> j Then x1(j) = x(j) x2(j) = x(j) Else If x(j) = 0.0# Then x1(j) = epsilon x2(j) = 2 * epsilon Else x1(j) = x(j) * (1 - epsilon) x2(j) = x(j) * (1 + epsilon) End If End If Next f1 = fxb.Invoke(x1) f2 = fxb.Invoke(x2) For k = 0 To x.Length - 1 g(k, i) = (f2(k) - f1(k)) / (x2(i) - x1(i)) Next Next End If End If Return g End Function Public Function minimizeerror(ByVal t As Double) As Double Dim tmpx0 As Double() = tmpx.Clone For i = 0 To tmpx.Length - 1 tmpx0(i) -= tmpdx(i) * t Next Dim abssum0 = MathEx.Common.SumSqr(fxb.Invoke(tmpx0)) If Double.IsNaN(abssum0) Then abssum0 = 1.0E+20 Return abssum0 End Function End Class Public Class NewtonSolver_Old Public Property Tolerance As Double = 0.0001 Public Property MaxIterations As Integer = 1000 Public Property EnableDamping As Boolean = True Private _Iterations As Integer = 0 Private fxb As Func(Of Double(), Double()) Private brentsolver As New BrentOpt.BrentMinimize Private tmpx As Double(), tmpdx As Double() Private _error As Double Public ReadOnly Property Iterations Get Return _Iterations End Get End Property Sub New() brentsolver.DefineFuncDelegate(AddressOf minimizeerror) End Sub ''' ''' Solves a system of non-linear equations [f(x) = 0] using newton's method. ''' ''' f(x) where x is a vector of double, returns the error values for each x ''' initial values for x ''' vector of variables which solve the equations according to the minimum allowable error value (tolerance). Function Solve(functionbody As Func(Of Double(), Double()), vars As Double()) As Double() Dim minimaldampings As Double() = New Double() {1.0E-20, 0.000000000000001, 0.0000000001, 0.00001, 0.0001, 0.001, 0.01, 0.1} Dim epsilons As Double() = New Double() {0.0000000001, 0.000000001, 0.00000001, 0.0000001, 0.000001, 0.00001, 0.0001, 0.001, 0.01, 0.1} Dim leave As Boolean = False Dim finalx As Double() = vars If EnableDamping Then For Each mindamp In minimaldampings If leave Then Exit For For Each eps In epsilons If leave Then Exit For Try finalx = solve_internal(mindamp, eps, functionbody, vars) leave = True Catch ex As ArgumentException 'try next parameters End Try Next Next Else For Each eps In epsilons If leave Then Exit For Try finalx = solve_internal(1.0, eps, functionbody, vars) leave = True Catch ex As ArgumentException 'try next parameters End Try Next End If If Not leave Then Throw New Exception("newton convergence error") Return finalx End Function Private Function solve_internal(mindamp As Double, epsilon As Double, functionbody As Func(Of Double(), Double()), vars As Double()) As Double() fxb = functionbody Dim fx(), x(), dx(), dfdx(,), df, fxsum, fxsum0 As Double Dim success As Boolean = False x = vars.Clone dx = x.Clone _Iterations = 0 Do If _Iterations = 0 Then fxsum0 = 1.0E+20 Else fxsum0 = MathEx.Common.SumSqr(fx) End If fx = fxb.Invoke(x) _error = MathEx.Common.SumSqr(fx) fxsum = _error If Common.SumSqr(fx) < Tolerance Then Exit Do dfdx = gradient(epsilon, x) success = SysLin.rsolve.rmatrixsolve(dfdx, fx, x.Length, dx) If success Then 'this call to the brent solver calculates the damping factor which minimizes the error (fval). If EnableDamping Then tmpx = x.Clone tmpdx = dx.Clone brentsolver.brentoptimize(mindamp, 1.0, mindamp / 10.0#, df) Else df = 1.0# End If For i = 0 To x.Length - 1 x(i) -= dx(i) * df Next Else For i = 0 To x.Length - 1 x(i) *= 0.999 Next End If _Iterations += 1 If _Iterations > 50 And fxsum > fxsum0 Then Throw New ArgumentException("not converging") End If If Double.IsNaN(fxsum) Then Throw New ArgumentException("not converging") End If Loop Until _Iterations > MaxIterations If _Iterations > MaxIterations Then Throw New ArgumentException("not converged") End If Return x End Function Private Function gradient(epsilon As Double, ByVal x() As Double) As Double(,) Dim f1(), f2() As Double Dim g(x.Length - 1, x.Length - 1), x2(x.Length - 1) As Double Dim i, j, k As Integer f1 = fxb.Invoke(x) For i = 0 To x.Length - 1 For j = 0 To x.Length - 1 If i <> j Then x2(j) = x(j) Else If x(j) = 0.0# Then x2(j) = epsilon Else x2(j) = x(j) * (1 + epsilon) End If End If Next f2 = fxb.Invoke(x2) For k = 0 To x.Length - 1 g(k, i) = (f2(k) - f1(k)) / (x2(i) - x(i)) Next Next Return g End Function Public Function minimizeerror(ByVal t As Double) As Double Dim tmpx0 As Double() = tmpx.Clone For i = 0 To tmpx.Length - 1 tmpx0(i) -= tmpdx(i) * t Next Dim abssum0 = MathEx.Common.SumSqr(fxb.Invoke(tmpx0)) If Double.IsNaN(abssum0) Then abssum0 = 1.0E+20 Return abssum0 End Function End Class End Namespace