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vendor/gonum.org/v1/gonum/optimize/newton.go
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182
vendor/gonum.org/v1/gonum/optimize/newton.go
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// Copyright ©2015 The Gonum Authors. All rights reserved.
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// Use of this source code is governed by a BSD-style
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// license that can be found in the LICENSE file.
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package optimize
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import (
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"math"
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"gonum.org/v1/gonum/mat"
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)
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const maxNewtonModifications = 20
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var (
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_ Method = (*Newton)(nil)
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_ localMethod = (*Newton)(nil)
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_ NextDirectioner = (*Newton)(nil)
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)
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// Newton implements a modified Newton's method for Hessian-based unconstrained
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// minimization. It applies regularization when the Hessian is not positive
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// definite, and it can converge to a local minimum from any starting point.
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//
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// Newton iteratively forms a quadratic model to the objective function f and
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// tries to minimize this approximate model. It generates a sequence of
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// locations x_k by means of
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//
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// solve H_k d_k = -∇f_k for d_k,
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// x_{k+1} = x_k + α_k d_k,
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//
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// where H_k is the Hessian matrix of f at x_k and α_k is a step size found by
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// a line search.
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//
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// Away from a minimizer H_k may not be positive definite and d_k may not be a
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// descent direction. Newton implements a Hessian modification strategy that
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// adds successively larger multiples of identity to H_k until it becomes
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// positive definite. Note that the repeated trial factorization of the
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// modified Hessian involved in this process can be computationally expensive.
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//
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// If the Hessian matrix cannot be formed explicitly or if the computational
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// cost of its factorization is prohibitive, BFGS or L-BFGS quasi-Newton method
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// can be used instead.
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type Newton struct {
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// Linesearcher is used for selecting suitable steps along the descent
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// direction d. Accepted steps should satisfy at least one of the Wolfe,
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// Goldstein or Armijo conditions.
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// If Linesearcher == nil, an appropriate default is chosen.
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Linesearcher Linesearcher
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// Increase is the factor by which a scalar tau is successively increased
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// so that (H + tau*I) is positive definite. Larger values reduce the
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// number of trial Hessian factorizations, but also reduce the second-order
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// information in H.
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// Increase must be greater than 1. If Increase is 0, it is defaulted to 5.
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Increase float64
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// GradStopThreshold sets the threshold for stopping if the gradient norm
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// gets too small. If GradStopThreshold is 0 it is defaulted to 1e-12, and
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// if it is NaN the setting is not used.
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GradStopThreshold float64
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status Status
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err error
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ls *LinesearchMethod
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hess *mat.SymDense // Storage for a copy of the Hessian matrix.
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chol mat.Cholesky // Storage for the Cholesky factorization.
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tau float64
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}
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func (n *Newton) Status() (Status, error) {
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return n.status, n.err
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}
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func (*Newton) Uses(has Available) (uses Available, err error) {
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return has.hessian()
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}
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func (n *Newton) Init(dim, tasks int) int {
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n.status = NotTerminated
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n.err = nil
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return 1
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}
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func (n *Newton) Run(operation chan<- Task, result <-chan Task, tasks []Task) {
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n.status, n.err = localOptimizer{}.run(n, n.GradStopThreshold, operation, result, tasks)
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close(operation)
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}
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func (n *Newton) initLocal(loc *Location) (Operation, error) {
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if n.Increase == 0 {
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n.Increase = 5
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}
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if n.Increase <= 1 {
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panic("optimize: Newton.Increase must be greater than 1")
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}
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if n.Linesearcher == nil {
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n.Linesearcher = &Bisection{}
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}
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if n.ls == nil {
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n.ls = &LinesearchMethod{}
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}
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n.ls.Linesearcher = n.Linesearcher
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n.ls.NextDirectioner = n
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return n.ls.Init(loc)
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}
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func (n *Newton) iterateLocal(loc *Location) (Operation, error) {
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return n.ls.Iterate(loc)
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}
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func (n *Newton) InitDirection(loc *Location, dir []float64) (stepSize float64) {
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dim := len(loc.X)
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n.hess = resizeSymDense(n.hess, dim)
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n.tau = 0
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return n.NextDirection(loc, dir)
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}
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func (n *Newton) NextDirection(loc *Location, dir []float64) (stepSize float64) {
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// This method implements Algorithm 3.3 (Cholesky with Added Multiple of
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// the Identity) from Nocedal, Wright (2006), 2nd edition.
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dim := len(loc.X)
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d := mat.NewVecDense(dim, dir)
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grad := mat.NewVecDense(dim, loc.Gradient)
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n.hess.CopySym(loc.Hessian)
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// Find the smallest diagonal entry of the Hessian.
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minA := n.hess.At(0, 0)
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for i := 1; i < dim; i++ {
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a := n.hess.At(i, i)
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if a < minA {
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minA = a
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}
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}
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// If the smallest diagonal entry is positive, the Hessian may be positive
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// definite, and so first attempt to apply the Cholesky factorization to
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// the un-modified Hessian. If the smallest entry is negative, use the
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// final tau from the last iteration if regularization was needed,
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// otherwise guess an appropriate value for tau.
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if minA > 0 {
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n.tau = 0
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} else if n.tau == 0 {
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n.tau = -minA + 0.001
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}
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for k := 0; k < maxNewtonModifications; k++ {
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if n.tau != 0 {
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// Add a multiple of identity to the Hessian.
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for i := 0; i < dim; i++ {
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n.hess.SetSym(i, i, loc.Hessian.At(i, i)+n.tau)
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}
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}
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// Try to apply the Cholesky factorization.
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pd := n.chol.Factorize(n.hess)
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if pd {
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// Store the solution in d's backing array, dir.
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err := n.chol.SolveVecTo(d, grad)
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if err == nil {
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d.ScaleVec(-1, d)
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return 1
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}
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}
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// Modified Hessian is not PD, so increase tau.
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n.tau = math.Max(n.Increase*n.tau, 0.001)
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}
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// Hessian modification failed to get a PD matrix. Return the negative
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// gradient as the descent direction.
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d.ScaleVec(-1, grad)
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return 1
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}
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func (n *Newton) needs() struct {
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Gradient bool
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Hessian bool
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} {
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return struct {
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Gradient bool
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Hessian bool
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}{true, true}
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}
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