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2026-09-03 10:00:00 +02:00
// Copyright (c) 2026 Petr Balvín <opensource@petrbalvin.org> (https://petrbalvin.org)
// SPDX-License-Identifier: MIT
package stats
import (
"math"
"sourcedock.dev/petrbalvin/tensor/internal/base"
"sourcedock.dev/petrbalvin/tensor/internal/core"
)
// Linear regression with classical inference: the ordinary
// least-squares fit together with the uncertainty statement every
// empirical paper needs: standard errors, t-tests on each
// coefficient, R², adjusted R² and the F-test of the model as a
// whole. The linear algebra is the normal equations solved by the
// shared LU: regression designs are small and well conditioned in
// practice, and a caller with a genuinely ill-conditioned design
// should regularise (or reach for linalg.SolveTruncated) rather than
// trust any black-box fit.
// LinearRegressionResult carries the fit and its inference. Each
// slice is indexed by column of the design matrix, in order.
type LinearRegressionResult struct {
// Coefficients are the least-squares estimates β̂.
Coefficients []float64
// StandardErrors are the estimated standard deviations of the
// coefficient estimators.
StandardErrors []float64
// TStatistics are β̂/SE per coefficient.
TStatistics []float64
// PValues are the two-sided p-values of the t-tests.
PValues []float64
// ResidualVariance is σ̂² = RSS/(n − p).
ResidualVariance float64
// RSquared and AdjustedRSquared measure the fit.
RSquared float64
AdjustedRSquared float64
// FStatistic with DModel and DResidual as its degrees of freedom
// and FPValue its tail probability. DModel is p − 1 for a design
// with a constant column and p without one; DResidual is n − p.
FStatistic float64
DModel int
DResidual int
FPValue float64
// Fitted and Residuals align with the rows of the design.
Fitted []float64
Residuals []float64
}
// LinearRegression fits y = X·β by ordinary least squares over the
// design matrix X (n rows, p columns, the intercept included by the
// caller as a constant column when wanted) and reports the full
// classical inference. Inputs must be rank-2 / rank-1 of matching
// length, real-valued, with n > p and X of full column rank; a
// rank-deficient design is an error naming the condition.
func LinearRegression(x, y *core.Array) (*LinearRegressionResult, error) {
const name = "LinearRegression"
if x.NDim() != 2 {
return nil, base.Errf("%s: the design must be rank 2, got shape %s", name, base.ShapeText(x.Shape()))
}
if y.NDim() != 1 {
return nil, base.Errf("%s: the response must be rank 1, got shape %s", name, base.ShapeText(y.Shape()))
}
if x.Dtype() == core.Complex || y.Dtype() == core.Complex {
return nil, base.Errf("%s: complex inputs are not supported", name)
}
n, p := x.Shape()[0], x.Shape()[1]
if y.Len() != n {
return nil, base.Errf("%s: the design has %d rows but the response %d", name, n, y.Len())
}
if n <= p {
return nil, base.Errf("%s: need n > p, got %d observations and %d columns", name, n, p)
}
// Non-finite input has no answer to report: a single NaN would
// propagate into every coefficient and every statistic, and the
// other tests in the package refuse it for the same reason. Both
// scans are bounded by the visible element counts: a rebased view's
// payload may run past them, and a non-finite slot there is nobody's
// observation.
nVis := x.Len()
fx := rawFloats(x)
fy := rawFloats(y)
if fx == nil {
for i := range x.Len() {
if v := x.FloatAt(i); math.IsNaN(v) || math.IsInf(v, 0) {
return nil, base.Errf("%s: the design holds the non-finite value %g", name, v)
}
}
} else {
for _, v := range fx[:nVis] {
if math.IsNaN(v) || math.IsInf(v, 0) {
return nil, base.Errf("%s: the design holds the non-finite value %g", name, v)
}
}
}
if fy == nil {
for i := range n {
if v := y.FloatAt(i); math.IsNaN(v) || math.IsInf(v, 0) {
return nil, base.Errf("%s: the response holds the non-finite value %g", name, v)
}
}
} else {
for _, v := range fy[:n] {
if math.IsNaN(v) || math.IsInf(v, 0) {
return nil, base.Errf("%s: the response holds the non-finite value %g", name, v)
}
}
}
// Whether the caller supplied an intercept, as a constant column.
// It decides what the null model is: with a constant column it is
// the mean of y (centred total sum of squares), without one it is
// zero and Σy² plays that role. The distinction changes R², the
// model degrees of freedom and the F statistic.
hasConstant := hasConstantColumn(x, n, p)
// Normal equations: (XᵀX)β = Xᵀy. The row-wise walk below visits
// the rows in the same order the column-wise walk did, so every
// entry sums identical products in identical order; the hoisted
// row value re-reads the same bits the inner loop re-read. XᵀX is
// symmetric and each lower-triangle entry equals its upper twin bit
// for bit (mirrorUpper: the row-wise product commutes bitwise and
// both entries sum the rows in the same order), so the accumulation
// runs the upper triangle alone and mirrors it once.
xtx := make([][]float64, p)
for i := range p {
xtx[i] = make([]float64, p)
}
xty := make([]float64, p)
if fx != nil && fy != nil {
for r := range n {
row := fx[r*p : r*p+p]
yv := fy[r]
for i, xi := range row {
xty[i] += xi * yv
// Upper triangle, both operands pre-sliced from i: the
// same products in the same order, bounds checks elided.
ai := xtx[i][i:]
for j, xj := range row[i:] {
ai[j] += xi * xj
}
}
}
} else {
for r := range n {
yv := y.FloatAt(r)
for i := range p {
xi := x.FloatAt(r*p + i)
xty[i] += xi * yv
for j := i; j < p; j++ {
xtx[i][j] += xi * x.FloatAt(r*p+j)
}
}
}
}
mirrorUpper(xtx)
// SolveSystem factors its matrix in place, so the covariance pass
// below needs a pristine copy of the normal equations.
xtxPristine := make([][]float64, p)
for i := range p {
xtxPristine[i] = append([]float64(nil), xtx[i]...)
}
// SolveSystem consumes columns: one column holding Xᵀy.
solved, err := base.SolveSystem(name, xtx, [][]float64{xty})
if err != nil {
return nil, base.Errf("%s: the design is rank deficient (%w)", name, err)
}
beta := make([]float64, p)
for i := range p {
beta[i] = solved[0][i]
}
out := &LinearRegressionResult{Coefficients: beta}
out.Fitted = make([]float64, n)
out.Residuals = make([]float64, n)
rss := 0.0
tss := 0.0
uncentred := 0.0
maxRes, maxDev, maxY := 0.0, 0.0, 0.0
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mean := 0.0
if fy != nil {
for _, v := range fy[:n] {
mean += v
}
} else {
for i := range n {
mean += y.FloatAt(i)
}
}
mean /= float64(n)
for r := range n {
f := 0.0
if fx != nil {
row := fx[r*p : r*p+p]
for i, xi := range row {
f += beta[i] * xi
}
} else {
for i := range p {
f += beta[i] * x.FloatAt(r*p+i)
}
}
out.Fitted[r] = f
var res, yv float64
if fy != nil {
yv = fy[r]
} else {
yv = y.FloatAt(r)
}
res = yv - f
out.Residuals[r] = res
rss += res * res
tss += (yv - mean) * (yv - mean)
uncentred += yv * yv
if a := math.Abs(res); a > maxRes {
maxRes = a
}
if a := math.Abs(yv - mean); a > maxDev {
maxDev = a
}
if a := math.Abs(yv); a > maxY {
maxY = a
}
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}
if !hasConstant {
// The null model is y = 0, so the uncentred total is what the
// model has to beat, and it carries n degrees of freedom.
tss = uncentred
}
// The factored sums of squares: a response on a scale whose squared
// deviations fall below the subnormal floor reads as a zero sum while
// its deviations are live, and the statistics below would report the
// evidence backwards (an exact fit the t statistics cannot support,
// an F of zero beside them). Each pair keeps the largest deviation as
// the scale and the scaled sum as the unit, so scale²·unit is the
// true sum wherever the plain product underflows; the unit stays 1
// whenever the plain sum already holds.
rssScale, rssUnit := 1.0, rss
if rss == 0 && maxRes > 0 {
rssScale, rssUnit = maxRes, 0.0
for _, res := range out.Residuals {
d := res / maxRes
rssUnit += d * d
}
}
tssScale, tssUnit := 1.0, tss
if tss == 0 {
devScale := maxDev
if !hasConstant {
devScale = maxY
}
if devScale > 0 {
tssScale = devScale
tssUnit = 0.0
for r := range n {
var yv, dev float64
if fy != nil {
yv = fy[r]
} else {
yv = y.FloatAt(r)
}
if !hasConstant {
dev = yv
} else {
dev = yv - mean
}
d := dev / devScale
tssUnit += d * d
}
}
}
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dof := n - p
out.ResidualVariance = rss / float64(dof)
tssDOF := n - 1
if !hasConstant {
tssDOF = n
}
if tss == 0 && tssScale == 1 {
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// A constant response reproduced exactly: R² is 1 by the
// perfect-fit convention, not the 1 − 0/0 NaN every consumer
// would propagate. The same guard the F statistic below has.
out.RSquared = 1
out.AdjustedRSquared = 1
} else if tss == 0 {
// The total underflowed while the response varies: the ratio of
// the factored forms, the scale factors divided out one at a
// time. Both R² measures round back to 1 here, but the F
// statistic below reads the same factored pieces and does not.
ratio := rssUnit / tssUnit * (rssScale / tssScale) * (rssScale / tssScale)
out.RSquared = 1 - ratio
out.AdjustedRSquared = 1 - ratio*float64(tssDOF)/float64(dof)
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} else {
out.RSquared = 1 - rss/tss
out.AdjustedRSquared = 1 - (rss/float64(dof))/(tss/float64(tssDOF))
}
out.DModel = p - 1
if !hasConstant {
out.DModel = p
}
out.DResidual = dof
// Covariance of β̂: σ̂²(XᵀX)⁻¹, its diagonal read from one
// factorisation of the pristine normal equations against all p unit
// columns at once. Solving one unit vector per coefficient
// refactors the same matrix p times; the shared solve factors once
// and substitutes each column through the identical factor, so the
// diagonal is the one the p separate solves produced, bit for bit.
out.StandardErrors = make([]float64, p)
out.TStatistics = make([]float64, p)
out.PValues = make([]float64, p)
unit := make([][]float64, p)
for j := range p {
unit[j] = make([]float64, p)
unit[j][j] = 1
}
inv, err := base.SolveSystem(name, xtxPristine, unit)
if err != nil {
return nil, base.Errf("%s: %w", name, err)
}
for j := range p {
v := out.ResidualVariance * inv[j][j] // σ̂²·(XᵀX)⁻¹_jj
switch {
case v > 0:
se := math.Sqrt(v)
out.StandardErrors[j] = se
out.TStatistics[j] = beta[j] / se
pv, err := twoSidedT(out.TStatistics[j], dof)
if err != nil {
return nil, base.Errf("%s: %w", name, err)
}
out.PValues[j] = pv
case v == 0:
// The residual sum of squares may have underflowed while the
// residuals live: the factored standard error is representable
// where the squared one is not, and the t test then reports
// the evidence it actually holds instead of an unearned
// infinity.
if rssScale != 1 && inv[j][j] > 0 {
se := rssScale * math.Sqrt(rssUnit*inv[j][j]/float64(dof))
if se > 0 {
out.StandardErrors[j] = se
out.TStatistics[j] = beta[j] / se
pv, err := twoSidedT(out.TStatistics[j], dof)
if err != nil {
return nil, base.Errf("%s: %w", name, err)
}
out.PValues[j] = pv
continue
}
}
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// An exact fit: the coefficient is infinitely many standard
// errors from zero, and the evidence is total. Reporting
// t = 0 next to p = 0 would contradict itself. A zero
// coefficient beside the zero standard error has nothing
// to test and reports p = 1.
out.StandardErrors[j] = 0
if beta[j] != 0 {
out.TStatistics[j] = math.Copysign(math.Inf(1), beta[j])
out.PValues[j] = 0
} else {
out.PValues[j] = 1
}
default:
// A near-collinear design drives the solve's diagonal
// negative through rounding alone: the Wald variance would
// be a NaN beside a nil error, the same refusal GLM makes.
return nil, base.Errf("%s: the design is near-collinear: the variance of coefficient %d came out negative (%g)", name, j, v)
}
}
// F-test of the model: H₀: every coefficient is zero. With a
// constant column this is the usual regression F against the mean;
// without one it is the test against the zero model (DModel = p).
if out.DModel > 0 {
explained := tss - rss
if explained < 0 {
explained = 0 // rounding only, and a negative F is meaningless
}
out.FStatistic = explained / float64(out.DModel) / out.ResidualVariance
if (math.IsInf(out.FStatistic, 0) || math.IsNaN(out.FStatistic)) && (rssScale != 1 || tssScale != 1) {
// An underflowed sum of squares drove the quotient to Inf or
// 0/0 while the factored pieces live: F from the factored
// forms, every scale factor applied one division at a time so
// no intermediate leaves the representable range before the
// answer does. rssUnit 0 is the exact fit, whose F is
// genuinely infinite.
out.FStatistic = (tssUnit*tssScale/rssScale/rssScale*tssScale - rssUnit) *
float64(dof) / (float64(out.DModel) * rssUnit)
if out.FStatistic < 0 {
out.FStatistic = 0
}
}
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if math.IsNaN(out.FStatistic) {
// 0/0: a response with no variation at all, reproduced
// exactly by the fit. There is no evidence of a model, so
// the statistic is the zero the test reads as p = 1, not a
// NaN that every consumer would propagate.
out.FStatistic = 0
}
// Tail of F(d1, d2) at f: the regularised incomplete beta
// I_{d2/(d2+d1·f)}(d2/2, d1/2). The argument is clamped to
// [0,1]: the identity is only defined there, and an F of 0
// (explained 0) or an infinite one would step outside through
// rounding alone.
d1, d2 := float64(out.DModel), float64(out.DResidual)
xi := d2 / (d2 + d1*out.FStatistic)
xi = min(max(xi, 0), 1)
tail, err := BetaIncomplete(xi, d2/2, d1/2)
if err != nil {
return nil, base.Errf("%s: %w", name, err)
}
out.FPValue = tail
} else {
// An intercept-only design has no model term to test: the F
// stays at its zero value and the p value is 1, the same
// convention the F = 0 guard below uses. Leaving the zero
// value in FPValue would report the null model as maximally
// significant.
out.FPValue = 1
}
return out, nil
}
// twoSidedT returns P(|T| > |t|) for Student-t with df degrees of
// freedom, by the closed-form tail I_z(df/2, 1/2) with z = df/(df+t²).
// The identity is used rather than 2·(1 − T_cdf(t)): near t = 0 the
// subtraction cancels catastrophically, while the incomplete beta
// stays accurate into the far tail where p values matter most. The
// upper-tail helper carries it, so the asymptotic forms that hold the
// df ≤ 2 tails past t²'s overflow serve here too: the bare closed form
// answers a silent 0 there while the true tail is still representable.
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func twoSidedT(t float64, df int) (float64, error) {
upper, err := studentTUpperTail(math.Abs(t), df)
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if err != nil {
return 0, err
}
return 2 * upper, nil
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}
// hasConstantColumn reports whether an (n, p) design holds a column of
// one repeated value, the caller-supplied intercept. The detection
// must read the design as handed in: a column that is constant there
// can stop being constant under a further transformation (Weighted-
// LinearRegression's sqrt-weighted design is the case in point), and
// the caller's null model follows the design it actually supplied.
func hasConstantColumn(x *core.Array, n, p int) bool {
fx := rawFloats(x)
for j := range p {
first := x.FloatAt(j)
constant := true
for r := 1; r < n; r++ {
var v float64
if fx != nil {
v = fx[r*p+j]
} else {
v = x.FloatAt(r*p + j)
}
if v != first {
constant = false
break
}
}
if constant {
return true
}
}
return false
}
// WeightedLinearRegression fits y = X·β by weighted least squares,
// observation i carrying the positive weight w[i]: the normal
// equations run on the sqrt-weighted system, so every statistic is
// the classical weighted-theory one (σ̂² on Σw·r² with n − p degrees
// of freedom, SEs from σ̂²(XᵀWX)⁻¹), while Fitted and Residuals are
// reported in the original, unweighted units. The weights must be
// finite and positive; everything else validates as LinearRegression
// does.
//
// The model statistics are the weighted-theory ones as well: R², the
// adjusted R² and the model F test are the centred quantities against
// the weighted mean Σw·y/Σw whenever the design as supplied carries a
// constant column. That column is detected on the unweighted design,
// where it is still constant: sqrt(w) makes even the intercept column
// non-constant in the system that is actually solved.
func WeightedLinearRegression(x, y, w *core.Array) (*LinearRegressionResult, error) {
const name = "WeightedLinearRegression"
if x.NDim() != 2 {
return nil, base.Errf("%s: the design must be rank 2, got shape %s", name, base.ShapeText(x.Shape()))
}
if y.NDim() != 1 || w.NDim() != 1 {
return nil, base.Errf("%s: the response and the weights must be rank 1", name)
}
if x.Dtype() == core.Complex || y.Dtype() == core.Complex || w.Dtype() == core.Complex {
return nil, base.Errf("%s: complex inputs are not supported", name)
}
n, p := x.Shape()[0], x.Shape()[1]
if y.Len() != n || w.Len() != n {
return nil, base.Errf("%s: the design has %d rows, the response %d and the weights %d",
name, n, y.Len(), w.Len())
}
xw := core.New(core.Float, n, p)
yw := core.New(core.Float, n)
xwVals := xw.RawFloats()
ywVals := yw.RawFloats()
// The payload walks below read the dense slices directly where they
// exist: the elements are the ones FloatAt returns, so every product
// and every sum keeps its exact operand bits.
fw := rawFloats(w)
fx := rawFloats(x)
fy := rawFloats(y)
for r := range n {
var weight float64
if fw != nil {
weight = fw[r]
} else {
weight = w.FloatAt(r)
}
if math.IsNaN(weight) || math.IsInf(weight, 0) || weight <= 0 {
return nil, base.Errf("%s: weight %d is %g, want a finite positive value", name, r, weight)
}
sqrtW := math.Sqrt(weight)
for j := range p {
var xj float64
if fx != nil {
xj = fx[r*p+j]
} else {
xj = x.FloatAt(r*p + j)
}
xwVals[r*p+j] = xj * sqrtW
}
var yv float64
if fy != nil {
yv = fy[r]
} else {
yv = y.FloatAt(r)
}
ywVals[r] = yv * sqrtW
}
out, err := LinearRegression(xw, yw)
if err != nil {
return nil, base.Errf("%s: %w", name, err)
}
// hasConstant is read off the unweighted design, because that is the
// model the caller described; the sqrt-weighted system cannot answer
// the question, its intercept column is sqrt(w).
hasConstant := hasConstantColumn(x, n, p)
// Fitted and Residuals back in the original units, against the
// same coefficients.
for r := range n {
f := 0.0
if fx != nil {
row := fx[r*p : r*p+p]
for i, xi := range row {
f += out.Coefficients[i] * xi
}
} else {
for i := range p {
f += out.Coefficients[i] * x.FloatAt(r*p+i)
}
}
var yv float64
if fy != nil {
yv = fy[r]
} else {
yv = y.FloatAt(r)
}
out.Fitted[r] = f
out.Residuals[r] = yv - f
}
// The weighted model statistics, from the residuals just computed:
// RSS_w = Σw·r², the weighted mean ȳ_w = Σw·y/Σw, and the centred
// total Σw·(y − ȳ_w)². The delegated fit had to answer the same
// questions for the sqrt-weighted system, which is a different
// regression and reports the uncentred conventions whenever the
// weights vary, so the four model-level fields are overwritten here.
sumW, sumWY, rssW := 0.0, 0.0, 0.0
maxResW := 0.0
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for r := range n {
var wr float64
if fw != nil {
wr = fw[r]
} else {
wr = w.FloatAt(r)
}
var yv float64
if fy != nil {
yv = fy[r]
} else {
yv = y.FloatAt(r)
}
sumW += wr
sumWY += wr * yv
rssW += wr * out.Residuals[r] * out.Residuals[r]
if a := math.Abs(out.Residuals[r]); a > maxResW {
maxResW = a
}
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}
tssW := 0.0
maxDevW := 0.0
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if hasConstant {
meanW := sumWY / sumW
for r := range n {
var wr, yv float64
if fw != nil {
wr = fw[r]
} else {
wr = w.FloatAt(r)
}
if fy != nil {
yv = fy[r]
} else {
yv = y.FloatAt(r)
}
d := yv - meanW
tssW += wr * d * d
if a := math.Abs(d); a > maxDevW {
maxDevW = a
}
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}
} else {
// Without an intercept the null model is zero, so Σw·y² is the
// total the model has to beat and it carries n degrees of freedom.
for r := range n {
var wr, yv float64
if fw != nil {
wr = fw[r]
} else {
wr = w.FloatAt(r)
}
if fy != nil {
yv = fy[r]
} else {
yv = y.FloatAt(r)
}
tssW += wr * yv * yv
if a := math.Abs(yv); a > maxDevW {
maxDevW = a
}
}
}
// The weighted sums of squares carry the same factored form the
// unweighted fit keeps: a response scale whose weighted squared
// deviations fall below the subnormal floor reads as a zero sum
// while the deviations live, and the F below would report zero
// evidence beside the t statistics' infinity.
rssScaleW, rssUnitW := 1.0, rssW
if rssW == 0 && maxResW > 0 {
rssScaleW = maxResW
rssUnitW = 0.0
for r := range n {
var wr float64
if fw != nil {
wr = fw[r]
} else {
wr = w.FloatAt(r)
}
d := out.Residuals[r] / maxResW
rssUnitW += wr * d * d
}
}
tssScaleW, tssUnitW := 1.0, tssW
if tssW == 0 && maxDevW > 0 {
tssScaleW = maxDevW
tssUnitW = 0.0
if hasConstant {
meanW := sumWY / sumW
for r := range n {
var wr, yv float64
if fw != nil {
wr = fw[r]
} else {
wr = w.FloatAt(r)
}
if fy != nil {
yv = fy[r]
} else {
yv = y.FloatAt(r)
}
d := (yv - meanW) / maxDevW
tssUnitW += wr * d * d
}
} else {
for r := range n {
var wr, yv float64
if fw != nil {
wr = fw[r]
} else {
wr = w.FloatAt(r)
}
if fy != nil {
yv = fy[r]
} else {
yv = y.FloatAt(r)
}
d := yv / maxDevW
tssUnitW += wr * d * d
}
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}
}
tssDOF := n - 1
if !hasConstant {
tssDOF = n
}
if tssW == 0 && tssScaleW == 1 {
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// Constant weighted response, exact fit: 1, as above.
out.RSquared = 1
out.AdjustedRSquared = 1
} else if tssW == 0 {
// The weighted total underflowed while the weighted response
// varies: the factored ratio, both R² measures rounding back
// to 1 while the F below reads the same pieces and does not.
ratio := rssUnitW / tssUnitW * (rssScaleW / tssScaleW) * (rssScaleW / tssScaleW)
out.RSquared = 1 - ratio
out.AdjustedRSquared = 1 - ratio*float64(tssDOF)/float64(out.DResidual)
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} else {
out.RSquared = 1 - rssW/tssW
out.AdjustedRSquared = 1 - (rssW/float64(out.DResidual))/(tssW/float64(tssDOF))
}
out.DModel = p - 1
if !hasConstant {
out.DModel = p
}
if out.DModel > 0 {
explained := tssW - rssW
if explained < 0 {
explained = 0 // rounding only, and a negative F is meaningless
}
out.FStatistic = explained / float64(out.DModel) / out.ResidualVariance
if (math.IsInf(out.FStatistic, 0) || math.IsNaN(out.FStatistic)) && (rssScaleW != 1 || tssScaleW != 1) {
// The factored F, as in the unweighted path: every scale
// factor divided out one step at a time.
out.FStatistic = (tssUnitW*tssScaleW/rssScaleW/rssScaleW*tssScaleW - rssUnitW) *
float64(out.DResidual) / (float64(out.DModel) * rssUnitW)
if out.FStatistic < 0 {
out.FStatistic = 0
}
}
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if math.IsNaN(out.FStatistic) {
// 0/0, as in the unweighted path: nothing to test, p = 1.
out.FStatistic = 0
}
d1, d2 := float64(out.DModel), float64(out.DResidual)
xi := d2 / (d2 + d1*out.FStatistic)
xi = min(max(xi, 0), 1)
tail, err := BetaIncomplete(xi, d2/2, d1/2)
if err != nil {
return nil, base.Errf("%s: %w", name, err)
}
out.FPValue = tail
} else {
// Intercept-only, as in the unweighted path: no model term to
// test, F 0 and p 1.
out.FStatistic = 0
out.FPValue = 1
}
return out, nil
}