Normal Distribution
nothing is called 95% until it has been counted
Concept

Curvature — where it appears

Departure of a response from a plane, which a design sampling only the corners of a region cannot see. Centre points detect it, and detecting it is what says whether a fitted optimum is anywhere near a real one.

Named by 12 essays across 5 fields — each of them below, with the objects they name alongside it.

Four runs, and the term they cannot reach. Every run sits at a corner, so x₁² and x₂² are 1 at every run and both columns are copies of the intercept. The normal matrix is singular: the design has no information about curvature at all, and no analysis can recover it.

The design that cannot see a curve

A two-level factorial has every run at a corner, where every squared term equals one — so the column that would estimate curvature is a copy of the intercept, and the design has no information about it at all. A few runs at the centre buy one number back, and only one.

surface · Factorial One wrong model, four designs, four slopes. The slope a straight line converges to when the truth is a quadratic, under four covariate distributions, by two routes: the population projection in closed form, and the mean of 2500 fitted slopes at 200 rows apiece. The even spread over [0, 2] gives 1.6000 and the same spread moved to [1, 3] gives 2.6000, while widening it to [0, 4] gives 2.6000 — the same number as the shifted one, because a symmetric design's target is the truth's tangent slope at the design's own mean and does not read the spread at all. An exponential spread with the SAME mean as the first gives 2.6000. So two studies of one world, each fitting the same wrong model, honestly report slopes 1.0000 apart, and neither is making an error.

What a wrong model estimates

A straight line fitted to a curved truth converges on the tangent at its own design's mean. Two honest studies of one world, fitting the same wrong model, report 2.600000 and 1.600000, and neither is in error.

sandwich · Misspecification Where a Ds-optimal design puts its runs. The Ds-optimal measure over 121 candidate settings on a square region. It keeps 9 of them and discards the rest, and the 9 it keeps are the settings a catalogue would have offered without any of this arithmetic. What the search adds is the weights: 0.2500, 0.1250, 0.0625, which nine equal runs cannot express.

The two terms anybody wanted

D-optimality estimates all six parameters of a quadratic as precisely as possible. Nobody wants that. An experimenter looking for a maximum wants the two curvature terms, and the design that gives them is not the D-optimal one — it is a quarter of the runs at the centre, exactly, and the D-optimal design is 75.3% efficient for the question that was actually asked.

criteria · Criterion Twenty walks up the same hill, σ = 2. Each walk fits a plane to the same four-corner factorial, takes its gradient as a direction, and steps along it until a run comes in below the one before. The true optimum is the cross. 80% of the walks stop before the best point on their own path — not because the direction was wrong, but because one noisy run is enough to stop them, and the direction error costs only 3.9% of the available gain.

Walking up the gradient

The fitted gradient is wrong by an angle with a closed form, σ/(|β|√N), and what that angle costs is its squared cosine — twelve per cent at twenty degrees. What costs a third of the gain is not the direction at all. It is deciding where to stop.

surface · Optimum A central composite design, 13 runs. Adding 4 axial runs at ±√2 gives every factor three levels, which is the least that can estimate a squared term. The normal matrix now inverts, so each βᵢᵢ has an estimate of its own — and at exactly this axial distance the design is rotatable, which the next figure measures.

Three levels, and the ring where the design says the same thing

A central composite design puts its axial runs at ±α, and α is not a matter of taste. At F to the quarter the prediction variance depends only on how far a point is from the centre and not at all on which direction it lies in — a property with no simulation in it, exact or absent.

surface · Factorial Where the maximum is, from 15 runs. One dataset, one fitted quadratic, and two answers to "where is the best setting". The delta method reports 0.80 ± 0.46, a finite interval it will report whatever the data does. Fieller's set is 0.49 to 1.76, because the curvature here has t = -4.04. The true optimum is at 0.75.

The optimum is a ratio, and its interval is sometimes the whole line

The best setting is −b₁/2b₂: a ratio of two estimates whose denominator is a curvature the design can often barely see. The delta method reports a finite interval every time and covers 68.8% where the curvature is weak; Fieller's set covers 95% and says so by being unbounded.

surface · Optimum What the fit calls the shape, against what it is. One eigenvalue held at −3 and the other swept from −2 to 2, so the truth is a maximum on the left and a saddle on the right and the change happens at exactly zero. At an eigenvalue of −0.25 — a genuine maximum — the fit reports a saddle on 26.4% of studies; at +0.25 — a genuine saddle — it reports a maximum on 25.1%. The standard error of a squared coefficient under this design is 0.3791, and the region of confusion is about that wide either side of zero.

The sign the curvature has

A fitted surface reports a maximum, a minimum or a saddle, and the report is a comparison of two estimated eigenvalues against zero. At a true second eigenvalue of −0.25 the fit calls a genuine maximum a saddle on 26.4% of studies, and at +0.25 it calls a genuine saddle a maximum on 25.1%.

surface · Optimum What the main effects cost the rest of the model. The compound optimum of α·log Ds(main effects) + (1 − α)·log D on an 11-by-11 grid of the square, at 14 weights from α = 0 to 0.999, placed by its D-efficiency against the D-optimal design and its main-effect efficiency against the factorial. The D-optimal design (α = 0) gives the main effects 74.3% of what the factorial gives. At α = 0.5 the design keeps 94.6% of D and gives 85.6%; at 0.9, 64.9% and 96.8%; at 0.99, 31.3% and 99.7%. The factorial itself (open, at the left edge) gives the main effects everything and the model nothing: its D-efficiency is zero. The design optimal for the two quadratic terms (red) gives the main effects 50.0% at a D-efficiency of 83.6%.

A subset the model cannot use

Nominate the two main effects of a quadratic response surface as the parameters of interest and the optimal design is the 2² factorial — four corners, a quarter each — which leaves the full model's information matrix at rank four of six and the curvature with nothing at all. That is why the field's algorithm would not converge on it. Approached through a compound criterion instead, the trade is explicit: 96.8% of the main effects' best information costs the model 35% of its D-efficiency, and the last three points cost nine tenths of what is left about the curvature.

criteria · Criterion The Box–Behnken design in three factors: 15 runs, none at a corner. Twelve runs at the midpoints of the cube's edges and 3 at its centre. Every run holds one factor at zero, so no run puts all three factors at an extreme — which is what makes it runnable where a corner is not. The three panels are the design's coordinate projections, with repeated positions marked.

The design that refuses the corners

Box–Behnken runs three factors in fifteen runs and puts none of them at a corner, which is what makes it usable where a corner cannot be run. It predicts the corner 1.84 times worse than the seventeen-run design that goes there, and 1.31 times worse at the middle of a face, and all three numbers are matrix computations with no simulation in them.

design · Factorial The ridge, when the fitted optimum is outside the region. One fitted surface. Its stationary point is at a radius of 2.289 and the fit calls the shape a maximum. The ridge is the best setting at each radius, found by the Lagrange condition (B̂ − μI)x = −ĝ/2; the fitted response rises along it from 59.93 at the centre to 62.10 at the edge. The true optimum is at (0.4, 0.3).

When the best setting is outside the region

On a flat surface at twice the noise the fitted optimum lands outside the experimental region on 24.9% of studies and more than three coded units out on 11.8%. The answer is a ridge — the best setting at each radius, with a closed form — and the two obvious rules for using it turn out to be within four per cent of each other.

surface · Optimum What a stated power leaves of the main effects. The main-effect efficiency of the best design reaching a power of 0.8 at level 0.05, as N|δ|² rises through 50, 60, 70, 80, 100, 130, 170, 220, 300, 400, 600, 1000. a saddle, two-degree test, the compound path: out of reach, out of reach, 0.806, 0.841, 0.881, 0.914, 0.937, 0.952, 0.966, 0.975, 0.984, 0.990. a bowl, two-degree test, the compound path: 0.782, 0.823, 0.851, 0.871, 0.898, 0.923, 0.941, 0.955, 0.967, 0.976, 0.984, 0.990. a bowl, its own one-degree contrast, the compound path: 0.827, 0.859, 0.880, 0.896, 0.918, 0.937, 0.952, 0.964, 0.973, 0.980, 0.987, 0.992. a bowl, a factorial with centre points: 0.914, 0.930, 0.940, 0.948, 0.959, 0.969, 0.976, 0.982, 0.987, 0.990, 0.993, 0.996.

A design chosen for a test

A screening experiment that wants its main effects and a check on curvature has been told to trade them with a weight nobody can state. It can state a power. Read against a power of 80%, the frontier collapses to one curve in runs times the squared size of the curvature, and a large enough trial pays almost nothing. But the curve belongs to a test. A factorial with a few centre points beats the entire frontier on a bowl, spending 4% of its main-effect information where the frontier spends 10%, and against a saddle of the same size it has exactly its 5% level.

criteria · Criterion The weight each of a hundred outcomes carries in the fitted value at the 97.5th percentile of a lognormal covariate. One design of a hundred lognormal covariate values. The fitted value at a covariate value of 7.10 is a weighted sum of the outcomes, with weights fixed by the design. Under a line and its square it rests on 10.7 effective points, the largest carrying 19.1% of its variance. Under a natural spline with knots at 0.17, 0.57, 1.18, 3.95 it rests on 3.8, the largest carrying 41.1%.

A value read off a curve

No coefficient of a spline is read; what is read is the fitted curve's value at a covariate value of interest, and that value is a weighted sum of the outcomes with weights the design fixes before any outcome is seen. In the tail of a lognormal covariate a natural spline's value rests on 4.8 of a hundred points, fewer than the squared term's coefficient's 6.9, and the squared term's own value there rests on 10.2 — yet it is three times further from the truth, because its extra points are borrowed from where the curve has a different shape and buy no precision at all. At four hundred points, moving the last knot past the value raises its count threefold and halves its error; doubling the data does neither.

spread · Summary

Named alongside it

The objects these essays reach for when they reach for this one.

Experimental designFactorial designCentral composite designCentre-pointLeast squaresResponse-surfaceSaddle pointD-optimalityDesign measureDs-optimalityMonte CarloPrediction variance

All concepts