Field

The surface between the corners

A two-level factorial answers which factors matter and is structurally unable to answer what setting is best: every run sits at a corner, every squared term is 1 there, and the column that would estimate curvature is a copy of the intercept. What it takes to see a curve, how far a fitted gradient can be trusted, and why the location of an optimum is a ratio of estimates rather than an estimate.

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.

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.

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.

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.

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%.

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.

What a confirmation run at the chosen setting would find. The true optimum is worth 62.348. At σ = 2 the fit predicts 62.679 at the setting it recommends and the truth there is 61.821 — a gap of 0.858, which is 0.72 of the prediction's own standard error. The setting itself gives up 0.527 against the best available.

The run that confirms it

The setting a response-surface analysis recommends was chosen because the fitted surface was highest there, so the height the fit predicts at it is a maximum over a random field. At twice the noise the fit predicts 0.858 more than is there — 0.72 of the prediction's own standard error — and the gap is not noise, it is the selection.

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