Series

Optimum — the series

9 essays on one idea, from the one that introduces it to the one that assumes the rest.
  1. 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.

    part 1 · surface
  2. 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.

    part 2 · surface
  3. One curve is a binomial coefficient and the other is a line. The number of subsets a maximin over this dictionary would have to score, against the number the exchange algorithm actually scores. At three functions the walk is 2,024 subsets and is the honest answer; at eight it is 735,471 and the exchange algorithm has looked at 421. The warrant for the second curve is the four sizes where both exist and agree, which is a weak warrant — it says the algorithm has not yet been wrong, not that it cannot be — and it is the only one available past the point the first curve leaves the page.

    Where the enumeration stops

    A maximin over an eight-function dictionary is a walk over seventy subsets. Over twenty-four it is 735,471 at eight functions, and the exchange algorithm that replaces the walk scores 421. What licenses the second curve is four sizes where both exist and agree, which is a weaker warrant than it looks.

    part 3 · product
  4. 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%.

    part 4 · surface
  5. A basis drawn rather than chosen. The share of the worst of seven shapes a balancing rule removes, over two covariates and a dictionary of twenty-four functions, for the best fixed basis of each size (lower line) and for a basis drawn at random from the least favourable mixture (upper line), at one to four functions. The fixed basis guarantees 0.0000, 0.0000, 0.4244, 0.6366: nothing at one function or two, because two of the shapes are pure interactions and two of them are main effects of different covariates, and no one or two functions touch all of them. The drawn basis guarantees 0.2042, 0.4084, 0.6133, 0.7920 in expectation over the draw — about a fifth of a shape for every function up to three. The marks above the upper line are the best reply to nature's mixture, 0.2051, 0.4098, 0.6142, 0.7931: the game's value lies between the two.

    A basis drawn rather than chosen

    On two covariates no fixed basis of one or two functions protects every shape an outcome might have — its worst case is exactly zero. Draw the basis at random from the right mixture and the guarantee is a fifth of a shape for every function. The price is per trial — at three functions, two draws in five leave one shape wholly unprotected.

    part 4 · product
  6. 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.

    part 5 · surface
  7. What a floor costs a drawn basis. The expected guarantee of a basis drawn from a mixture restricted to bases that each remove at least a stated share of every shape, solved at each distinct floor. 2 functions, of 276 bases: 40.8% at a floor of 0.0%; the best fixed basis floors at 0.0%. 3 functions, of 2024 bases: 61.3% at a floor of 0.0%, 50.0% at a floor of 31.8%, 50.0% at a floor of 34.7%, 49.7% at a floor of 40.5%, 42.4% at a floor of 42.4%; the best fixed basis floors at 42.4%. 4 functions, of 10626 bases: 79.2% at a floor of 0.0%, 77.1% at a floor of 31.8%, 77.1% at a floor of 34.7%, 77.1% at a floor of 35.1%, 77.1% at a floor of 35.6%, 77.1% at a floor of 37.0%, 77.1% at a floor of 38.3%, 77.1% at a floor of 40.5%, 76.5% at a floor of 41.0%, 76.5% at a floor of 42.4%, 76.5% at a floor of 42.8%, 76.5% at a floor of 42.9%, 76.5% at a floor of 43.5%, 76.5% at a floor of 44.7%, 76.5% at a floor of 45.3%, 76.5% at a floor of 46.0%, 76.5% at a floor of 46.8%, 76.5% at a floor of 47.2%, 76.5% at a floor of 50.0%, 76.5% at a floor of 56.0%, 76.5% at a floor of 63.7%; the best fixed basis floors at 63.7%.

    A floor for the draw

    A basis drawn at random guarantees more on average than any fixed one, at the price of leaving some shape wholly untouched in a large share of trials. Requiring every basis in the draw to keep a floor looks like a smooth trade between the two. It is a staircase, and the first step does nearly all the work. No basis has a floor between zero and 31.83%, so there is nothing to give up until a floor of that size is asked for. And at four functions, seven bases tie at the fixed basis's own 63.66%: a mixture of them keeps that floor exactly and adds thirteen points to the guarantee.

    part 5 · product
  8. 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.

    part 6 · surface
  9. Seven ways to report the height at the setting a response-surface analysis recommends, at noise 2. Bias and root mean squared error of the reported height about the true height at the chosen setting, over 2,000 studies with a central composite design of thirteen runs, or the same design run twice. 13 runs, the fit's own height: bias 0.884, error 1.537. 13 runs, optimism bootstrapped away: bias 0.183, error 1.396. One confirmation run alone: bias -0.005, error 2.005. Corrected fit and one confirmation run: bias 0.056, error 1.121. 26 runs, the fit's own height: bias 0.475, error 0.998. 26 runs, optimism bootstrapped away: bias 0.050, error 0.924. 26 runs split: choose on 13, estimate on 13: bias -0.014, error 1.213.

    The height at the chosen setting

    The height a response-surface fit predicts at the setting it recommends reads high, because the setting was chosen where the fit was highest. The obvious repair — choose on some runs, estimate on the rest — is impossible in the usual thirteen-run design, which has nine distinct settings where two separate fits need twelve. A parametric bootstrap of the optimism removes four fifths of it at no cost in runs, 0.884 down to 0.183 at twice the noise. With the design run twice, correcting the full fit beats splitting it: an error of 0.924 against 1.213, at a better setting.

    part 7 · surface

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