Beispiel #1
// x = n x c
// U = n x c
// D = c x c
// V = c x c
func (r *Ridge) Train(y []float64) error {
	// standarize matrix and have y_bar = 0
	y = subtractMean(y)

	r.response = y

	epsilon := math.Pow(2, -52.0)
	small := math.Pow(2, -966.0)

	svd := mat64.SVD(mat64.DenseCopyOf(, epsilon, small, true, true)

	U := svd.U
	// D[0] >= D[1] >= ... >= D[n-1]
	d := svd.Sigma
	V := svd.V

	// convert the c x c diagonal matrix D into a mat64.Dense matrix
	D := mat64.NewDense(r.c, r.c, rep(0.0, r.c*r.c))
	for i := 0; i < r.c; i++ {
		val := d[i] / (d[i] + r.lambda)
		D.Set(i, i, val)

	// solve for beta_ridge
	beta := &mat64.Dense{}
	beta.Mul(V, D)
	beta.Mul(beta, U.T())
	Y := mat64.NewDense(len(y), 1, y)
	beta.Mul(beta, Y)

	// save beta values
	r.beta_ridge = beta.Col(nil, 0)

	// find the fitted values : X * \beta_ridge
	fitted := &mat64.Dense{}
	fitted.Mul(, beta)
	r.fitted = fitted.Col(nil, 0)

	// get residuals
	fitted.Sub(fitted, Y)
	r.residuals = fitted.Col(nil, 0)

	return nil
Beispiel #2
//RotatorTranslatorToSuper superimposes the set of cartesian coordinates given as the rows of the matrix test on the gnOnes of the rows
//of the matrix templa. Returns the transformed matrix, the rotation matrix, 2 translation row vectors
//For the superposition plus an error. In order to perform the superposition, without using the transformed
//the first translation vector has to be added first to the moving matrix, then the rotation must be performed
//and finally the second translation has to be added.
//This is a low level function, although one can use it directly since it returns the transformed matrix.
//The math for this function is by Prof. Veronica Jimenez-Curihual, University of Concepcion, Chile.
func RotatorTranslatorToSuper(test, templa *v3.Matrix) (*v3.Matrix, *v3.Matrix, *v3.Matrix, *v3.Matrix, error) {
	tmr, tmc := templa.Dims()
	tsr, tsc := test.Dims()
	if tmr != tsr || tmc != 3 || tsc != 3 {
		return nil, nil, nil, nil, CError{"goChem: Ill-formed matrices", []string{"RotatorTranslatorToSuper"}}
	var Scal float64
	Scal = float64(1.0) / float64(tmr)
	j := gnOnes(tmr, 1) //Mass is not important for this matter so we'll just use this.
	ctest, distest, err := MassCenter(test, test, j)
	if err != nil {
		return nil, nil, nil, nil, errDecorate(err, "RotatorTranslatorToSuper")
	ctempla, distempla, err := MassCenter(templa, templa, j)
	if err != nil {
		return nil, nil, nil, nil, errDecorate(err, "RotatorTranslatorToSuper")

	Mid := gnEye(tmr)
	jT := gnT(j)
	ScaledjProd := gnMul(j, jT)
	ScaledjProd.Scale(Scal, ScaledjProd)
	aux2 := gnMul(gnT(ctempla), Mid)
	r, _ := aux2.Dims()
	Maux := v3.Zeros(r)
	Maux.Mul(aux2, ctest)
	Maux.Tr() //Dont understand why this is needed
	factors := mat64.SVD(v3.Matrix2Dense(Maux), appzero, math.SmallestNonzeroFloat64, true, true)
	U := factors.U
	V := factors.V
	//	if err != nil {
	//		return nil, nil, nil, nil, err  //I'm not sure what err is this one
	//	}
	U.Scale(-1, U)
	V.Scale(-1, V)
	//SVD gives different results here than in numpy. U and V are multiplide by -1 in one of them
	//and gomatrix gives as V the transpose of the matrix given as V by numpy. I guess is not an
	//error, but don't know for sure.
	vtr, _ := V.Dims()
	Rotation := v3.Zeros(vtr)
	Rotation.Mul(V, gnT(U))
	Rotation.Tr() //Don't know why does this work :(
	RightHand := gnEye(3)
	if det(Rotation) < 0 {
		RightHand.Set(2, 2, -1)
		Rotation.Mul(V, RightHand)
		Rotation.Mul(Rotation, gnT(U)) //If I get this to work Ill arrange so gnT(U) is calculated once, not twice as now.
		Rotation.Tr()                  //TransposeTMP contains the transpose of the original Rotation      //Same, no ide why I need this
		//return nil, nil, nil, nil, fmt.Errorf("Got a reflection instead of a translations. The objects may be specular images of each others")
	jT.Scale(Scal, jT)
	subtempla := v3.Zeros(tmr)
	sub := v3.Zeros(ctest.NVecs())
	sub.Mul(ctest, Rotation)
	subtempla.Sub(subtempla, sub)
	jtr, _ := jT.Dims()
	Translation := v3.Zeros(jtr)
	Translation.Mul(jT, subtempla)
	Translation.Add(Translation, distempla)
	//This alings the transformed with the original template, not the mean centrate one
	transformed := v3.Zeros(ctest.NVecs())
	transformed.Mul(ctest, Rotation)
	transformed.AddVec(transformed, Translation)
	//end transformed
	distest.Scale(-1, distest)
	return transformed, Rotation, distest, Translation, nil