Concept

Generalised cross-validation — where it appears

A parameter-choice rule whose objective divides the residual by a trace over the fitted subspace, so at scale it contains an estimated quantity. It needs no noise level, which is its advantage over the discrepancy principle, and its objective contains a trace that has to be estimated at any interesting size.

Named by 13 essays across 4 fields — each of them below, with the objects they name alongside it.

1112131415193111.365129.731148.096166.461probes takenrunning estimate of the tracenormal±1one probe, no errorthe exact trace99±1 variance, this matrix0±1 variance, rotated57normal variance545the same spectrum in a general basiscosts the ±1 probe its whole advantage

Counting what cannot be looked at

The trace is n additions and one of the most expensive quantities in the subject to estimate, because the matrices whose trace is wanted are never stored. Hutchinson's estimator is unbiased with one line of algebra — and its variance depends on which random vector is used, by a factor that is a property of the matrix, and on a diagonal matrix one choice is exact from the first probe and the other is not.

randomised · Trace estimation
192123252729313335373941434500.10.20.30.40.50.60.7position jweight on the true signal at jthe blur's row, 5.89 widethe kernel, 2.82 widecomputed from A and λ alonekernel width at half height2.8components kept, Σfₖ28width × Σfₖ / n1.2deepest negative lobe-0.075no data and no truth went into this curvethe answer is the truth seen through it

A second blur, narrower than the first

A regularised answer is not the truth with the noise taken out. It is the truth seen through a second blur, V F Vᵀ, which depends on the operator and λ and on nothing that was measured. At the best λ for 0.1% noise its rows are 2.82 points wide against the instrument's 5.89, they dip to −0.075 on either side, and their width times the number of components kept stays between 1.10n and 1.27n across seven decades of λ. Two spikes four points apart come back as two; three apart, as one.

regularisation · Regularisation
27121722273237424710⁻²10⁻¹110¹subspace size kvalueno answer below 8GCV's traceλ from GCVλ from the residuala denominator that is not the problem'strace at k = 41trace at k = 4827λ range across the run2.2subspace before an answer8the divisor moves by twenty-sevenand the answer does not move

A parameter chosen on a smaller problem

Inside a hybrid method the regularisation parameter is chosen on a 25×24 problem rather than a 64×64 one. The rule that reads a residual transfers exactly; the rule that reads a trace is biased by exactly two grid steps at twenty-four steps and one at forty, at every noise level from 10% to 0.1%.

combination · Parameter choice
081624324048566410⁻¹⁷10⁻¹⁴10⁻¹¹10⁻⁸10⁻⁵10⁻²10¹index kmagnitudethe floor: k = 43best truncation: k = 31σₖ|uₖᵀb| exact|uₖᵀb| with noise|uₖᵀe|, smoothedcorrelation ρ = 0.9noise energy, first 28 directions0.98tilt of the noise floor, decades1.1the crossing43the best truncation31the floor tilts, and is still a floorρ = 0.9

Noise that spares the answer and fools the rules

Make each noise sample remember the last one, keep its size fixed, and the best answer available gets slightly better — 0.1056 to 0.1010 — because slow noise hides in the directions where dividing by σ costs nothing. The Picard crossing still lands two dozen indices past the best truncation. What breaks is the rules. Generalised cross-validation more than doubles the best error on 14 draws of 48 instead of 3, the discrepancy principle's typical cost triples, and the two miss in opposite directions. Whitening by the covariance takes GCV back to 3.

regularisation · Regularisation
110¹10²10³10⁴10⁵10⁶error ÷ the oracle's, on the same drawten times the oracleover tendiscrepancy principletold ‖e‖0 of 1000unbiased risktold σ²15 of 1000cross-validationtold nothing57 of 1000quasi-optimalitytold nothing0 of 1000L-curvetold nothing0 of 1000blue: median · bar to the 90th percentile · line to the 99th · red: worstthe counts are the tail

One draw in twenty

Sixteen draws gave generalised cross-validation a worst case of 12%. A thousand draws at each of five noise levels give it a second answer on four to six in every hundred, ten to seven million times worse than the oracle, while its median stays among the best of five rules. The quasi-optimality criterion, told nothing either, never costs more than 1.41 in five thousand draws. The share settles by a thousand draws, and letting the search look further down more than triples it.

regularisation · Parameter choice
10⁻⁸10⁻⁷10⁻⁶10⁻⁵10⁻⁴10⁻³10⁻²10⁻¹110⁻⁴10⁻³10⁻²10⁻¹110¹10²10³10⁴λnoise part ÷ signal part, in ‖x‖where every corner sitsthe corner, ×2.29the oraclethe corner reads ‖x‖noise share at the corner0.23noise share at the oracle0.026corner ÷ oracle, this draw2.3corner ÷ oracle, 60-draw median1.5noise share: ‖L·(noise part)‖ ÷ ‖L·(signal part)‖the corner reads that share

The corner reads the norm it is drawn in

The L-curve was the costliest rule this field scored, and the cost was not the rule's. On the same sixty draws, with the same best achievable error, the corner of ‖x‖ against the residual costs 1.53 times the oracle and the corner of ‖L₁x‖ costs 1.003. Across five signals and three penalties the corner lands wherever amplified noise is between a tenth and a fifth of the norm being plotted, and it finds the oracle only when the oracle happens to sit there — twenty-nine times too costly on a smooth signal under ‖x‖, within half a per cent on four spikes.

regularisation · Parameter choice
unpreconditionedbest step20best error0.14edge τ0.01cutoffs at τ = 0.5λdiscrepancy0.032GCV0.016L-curve0.00410⁻⁴10⁻³10⁻²10⁻¹10⁻¹110¹truncation τbest relative errorunpreconditioned floor: 0.1426discrepancy: 0.144GCV: 0.142L-curve: 0.234the cutoff read as 0.5 × each rule's own λthe plateau is wide and the cliff is steep

The rule that is wrong in the right direction

The preconditioner's cutoff is not a new parameter. It is the regularisation parameter this field already knows how to choose, halved — and the rule criticised for choosing λ a factor of two or three too large is the one whose cutoff keeps the floor on every draw, where the rule that chooses λ to within 3% has a worst draw two hundred times off it.

combination · Iterative regularisation
where each λ sitsoracle's share0.0037corner's share0.1corner's cost25and what a target costsbest fixed target0.0035its cost1estimate ÷ truth at the oracle0.9210⁻⁸10⁻⁶10⁻⁴10⁻²110⁻³10⁻²10⁻¹110¹10²10³10⁴λnoise part ÷ signal parttarget 0.0035oracle λ: share 0.0037corner: share 0.102solid: the share on this draw · dashed: the share a rule can estimatethe rule is a level set of the dashed curve

A rule that has to be told how good its answer will be

The L-curve's corner reads a noise share of 0.10 to 0.21 across fifteen pairings of signal and penalty, and the share the best λ sits at runs from 0.0037 to 0.43 — a factor of a hundred and fifteen. A rule aimed at the right share is within a few per cent of the oracle on every one of them. The right share is about a third to four-fifths of the relative error that λ will achieve, which is the number the answer was wanted for.

regularisation · Parameter choice
worst draw on any grid, % over the oraclediscrepancy13GCV4·10⁶L-curve291median on 96 points, % overdiscrepancy3.4GCV0.18L-curve282030405060708090100110¹grid pointserror ÷ the oracle's, same drawdiscrepancy, mediandiscrepancy, worstGCV, medianGCV, worstL-curve, mediansolid: the median draw; dashed: the worst of sixteenthe axis stops at twenty times the oracle

The data count their dimensions, not the step's

Every grid in the deconvolution essays was chosen with the answer in hand, and so was every λ. From the data alone, the discrepancy principle's worst draw is within 16 per cent of the oracle on every grid from 16 points to 96; generalised cross-validation is better on the median draw and, on grids of thirty points and more, has draws thousands of times worse. And the data can say how many dimensions they carry — about 20, 25 and 29 at three noise levels, one number once the grid exceeds it — but not how many more the step needs: the grid that count chooses is 14 to 19 per cent worse than forty points at the lower two.

regularisation · Regularisation
worst draw on any grid, ÷ the oracleGCV4·10⁴rightmost minimum1.6discrepancy1.1draws more than twice the oracleGCV10rightmost minimum02030405060708090100110¹10²10³10⁴grid pointsworst error ÷ the oracle'sGCV, worst drawrightmost minimumdiscrepancythe worst of sixteen draws on each gridthe axis stops at ten thousand times the oracle

The minimum on the right

Generalised cross-validation's worst draws on a fine grid were all one mistake: a second dip in its function at λ near zero, deeper than the real minimum. The proposed repair was a residual threshold, one number, refusing any λ whose residual falls too far below the real minimum's. Measured over 528 draws, a threshold of one half still lets two hundredfold misses through; only the extreme value, which is no threshold at all but the rule 'take the rightmost local minimum', removes all eleven. It costs nothing on the coarse grids where the dip is the right answer, and on the collection's own problem over five thousand draws it turns 243 tenfold misses into 17.

regularisation · Regularisation
square systemfloor minima21interior dips28four samples per unknownfloor minima0interior dips4051015202530samples per unknowndraws of 24011.251.524minimum at the floorinterior dipGCV over 10× the oracleover 100×horizontal axis doubles at each gridlinethe floor goes at once and the dip does not

More samples take the floor and leave the dip

GCV's catastrophic misses on fine grids were blamed on squareness: on an n × n system the residual and n − t both reach zero as λ does, and their ratio can dip there. With more samples than unknowns neither reaches zero, and the prediction was that the dip would be gone by construction. Half of it is. The minimum at the floor of the scale, 21 draws in 240 on square systems, is gone at every ratio. The interior dip is not — 28, 20, 13, 8 and 4 draws at one to four samples per unknown — and at four per unknown one draw still misses the oracle by 877 times.

regularisation · Regularisation
how lopsided the valley isσ = 0.1: 6 too few ÷ 40 too many17σ = 10⁻³: 6 too few ÷ 40 too many231σ = 10⁻⁶: 6 too few ÷ 40 too many8184-50510152025303540110¹10²10³10⁴degree minus the best degreeerror ÷ best degree's errorσ = 0.1σ = 10⁻³σ = 10⁻⁶left of the line: too few degrees; right: too manya missing degree costs orders, an extra one a few per cent

The degree that is safe to overshoot

The rules that choose a Tikhonov parameter miss by factors of millions on one draw in twenty. Transplanted to the degree of a polynomial fit, in a basis orthonormal on the data, the same rules never cost more than 2.7 times the best degree's error in three hundred draws. The reason is the shape of the valley they search: six degrees too few costs from 44 to 16,000 times the best error, forty degrees too many costs about twice it. The one rule with a tail, the discrepancy principle, has its threshold half a standard deviation above the residual it is waiting for.

leastsquares · Fitting
45 interior dipsρ at the dip, true noise, median0.84ρ at the dip, estimated, median0.980.50.7511.251.51.7520.50.7511.251.51.752ρ at the dip, true noiseρ̂ at the dip, estimated noisedashed: the estimate equal to the truththe estimate pins every dip at one

An estimate that shares the dip's luck

GCV's interior dips form where the residual per remaining degree of freedom is low, and the proposal was a guard that estimates the noise from the least-squares residual and refuses a minimum whose residual is implausibly small. Over 960 draws holding 45 dips it refuses none, and picks plain GCV's minimum on every draw. At the dip ρ is 0.84 with the true noise and 0.98 with the estimate, because the estimate is made from the residual at the dip's own end of the scale and inherits its luck. Told the true noise instead, the guard can refuse 14 dips only by refusing 78 real minima. Handed the same estimate, the discrepancy principle misses by 570,000 times.

regularisation · Regularisation

Named alongside it

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

Discrepancy principleParameter choiceTikhonov regularisationRegularisationL-curveInfluence matrixDeconvolutionDiscretisationOracleFilter factorsIll-posed problemLeast-squares

All concepts