Field

A design chosen rather than looked up

Every design here so far came from a catalogue and was then measured. Turn the arithmetic around and a design is the answer to an optimisation: maximise a functional of X′X and see what comes back. What comes back is the catalogue's own nine settings, re-weighted — and an exact theorem that says when a search is finished without knowing what it was searching for.
Where a D-optimal design puts its runs. The D-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: 0.1458, 0.0962, 0.0802, which nine equal runs cannot express.

A design is a number

A standard design is taken from a catalogue and then measured. Turn the arithmetic round and a design becomes the answer to an optimisation — and over 121 candidate settings the search keeps nine of them, which are exactly the nine a catalogue would have offered, at weights nine equal runs cannot express.

The variance touches p and never crosses it. d(x) = f(x)′M⁻¹f(x) along the diagonal of a square region, for the D-optimal measure. The line at 6 is the number of parameters in the model. Kiefer and Wolfowitz's theorem says a design is D-optimal exactly when the largest d anywhere in the region is p — not approximately, equals — so the optimal curve is tangent to that line at its support points and below it everywhere else. Here the largest value anywhere on a 41×41 grid is 6.000000000.

The theorem that says when to stop

A search that maximises the volume of the information has no way of knowing it has finished, because nothing tells it what the maximum is. Kiefer and Wolfowitz's equality does — a design is D-optimal exactly when the worst prediction anywhere in the region equals the number of parameters, which is 6.000000000059 here, gated at machine precision.

Four criteria on 5 designs, on a square region. Each design scored as an efficiency — its value over the best attainable — so four criteria in as many different units sit on one scale where 1 is the optimum. Rows are ordered by D. D picks 13-run exchange; A picks face-centred composite; G picks 13-run exchange; I picks face-centred composite. Every design has been scaled to just fit the region first, because a design run at settings the region does not contain is not a competitor on it. The disagreement is the point: the letter is a choice, and it is almost never reported as one.

Four letters and two camps

D, A, G and I are four ways of turning one matrix into one number, and they do not agree. The design that wins on D is the worst thing here on I. And the same two designs swap places entirely when the region changes from a square to a disc — on all four criteria at once.

Adding a run can make the design worse. The D-efficiency of the best N-run design at each size, against the optimal measure. It is not a rising curve. 13 runs reaches 99.77% and 14 falls to 99.44%, because the optimal weights are real numbers and N runs is an integer approximation to them, so how good a design can be depends on how well N divides. A Wald interval behaves the same way: a larger sample sometimes makes its coverage worse, for exactly this reason.

The design that has to be integers

The optimal design is a set of real weights and an experiment is a set of runs, so the theory's answer is never available. Thirteen runs reach 99.77% of it and fourteen reach 99.44% — adding a run makes the design worse per run, and the search that finds it does not always find the same one.

What visiting fewer settings costs, 6 parameters. Carathéodory's bound puts the support of an optimal measure between 6 and 21. 6 settings: D-efficiency 88.90%, G-efficiency 57.18%, 0 degrees of freedom for lack of fit; 7 settings: D-efficiency 94.54%, G-efficiency 61.22%, 1 degrees of freedom for lack of fit; 8 settings: D-efficiency 95.99%, G-efficiency 64.60%, 2 degrees of freedom for lack of fit; 9 settings: D-efficiency 97.40%, G-efficiency 82.76%, 3 degrees of freedom for lack of fit. The saturated design has none, and buying the first one costs about five points of efficiency to get back.

How many places a design goes

Carathéodory's bound puts an optimal design's support between six and twenty-one settings, and every design in this field that can fit the model visits exactly nine. The count is not a choice anybody makes, it decides how many degrees of freedom are left to check the model with, and the first spare setting costs six points of efficiency to get back.

The certificate when 4 runs are already spent. a 2² factorial has already been run and 2 further runs are to be placed. The stationarity condition is no longer max d = p; it is max d = (p − λ·tr(M⁻¹M_fixed))/(1 − λ) with λ = 0.6667 the share of runs already spent, which is 7.0985 here. The search reaches 7.098508790 against it, and the largest value anywhere on a 41×41 grid is 7.098508790.

Augmenting a design that has already run

The equivalence theorem still certifies when some runs are already spent, and one number in it changes: the bound is no longer p but (p − λ·tr(M⁻¹M_fixed))/(1 − λ). It equals p again exactly when the runs already made can still be absorbed into the design that would have been chosen — so the certificate says whether the experiment is still recoverable.

Where each criterion's optimum puts the information. the D-optimal design's smallest eigenvalue is 0.09927, attained once; the A-optimal design's smallest eigenvalue is 0.16516, attained once; the I-optimal design's smallest eigenvalue is 0.17541, attained once; the E-optimal design's smallest eigenvalue is 0.19999, attained 2 times. A criterion that reads the smallest eigenvalue has no derivative where that eigenvalue is repeated, and the E-optimal design is exactly there.

The criterion with no derivative

E-optimality maximises the smallest eigenvalue of the information matrix, and at its own optimum that eigenvalue is attained twice — which is exactly where the function has a corner. The multiplicative search this field's other three criteria use assumes a derivative that is not there, and stops at 37.2% of the optimum.

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