Methods that were designed apart

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%.

Worth reading first: Choosing without knowing · A parameter that counts steps · When the answer is a choice.

Choosing without knowing scored the published rules for picking a regularisation parameter against an oracle that requires the exact answer, and none of them reached it. That was a comparison between rules, on one problem, all of them looking at the same 64×64 matrix.

The previous essay put a penalty inside a Krylov method, and in doing so moved the choice somewhere else. The parameter is now chosen on the projected problem — a bidiagonal matrix of twenty-five rows and twenty-four columns, built by the iteration itself out of the problem it was handed. Every rule from the regularisation field can be run on it, because it is a least-squares problem with a matrix and a right-hand side like any other.

The question is what a rule is reading when it reads a projection.

Two inner rules, and the quantity one of them divides byThree quantities against the subspace size on a logarithmic vertical axis. The trace in GCV's denominator climbs from 1.01 to 26.98, a factor of 27; the λ it selects moves by 2.15. The discrepancy principle has no answer below 8 steps, where no parameter brings the residual down to the noise, and returns 0.0681 at every size above it.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
Fig. 1 Two rules and one denominator, against the size of the subspace. The dashed curve is the quantity generalised cross-validation divides by; it climbs by a factor of twenty-seven. The two λ curves are what the rules select, and they do not.

The rule that transfers by an identity

The discrepancy principle asks for the largest λ whose residual is still no larger than the noise. It is the only rule in the field that has to be told ‖e‖, and the standard objection is that nobody knows ‖e‖.

Under projection it has a property none of the others do. The left basis U_{k+1} is orthonormal, so ‖b − A Vₖ y‖ equals ‖β₁e₁ − Bₖ y‖ for every y — the residual of the small problem is the residual of the large one. A rule that consults nothing but a residual and a noise level is therefore consulting identical numbers on both problems, and must return the same answer.

It does, and “the same” is meant literally:

noise λ on the 64×64 problem λ at k = 24 λ at k = 40
10% 2.154·10⁻¹ 2.154·10⁻¹ 2.154·10⁻¹
5% 1.468·10⁻¹ 1.468·10⁻¹ 1.468·10⁻¹
1% 6.813·10⁻² 6.813·10⁻² 6.813·10⁻²
0.5% 4.642·10⁻² 4.642·10⁻² 4.642·10⁻²
0.1% 1.000·10⁻² 1.000·10⁻² 1.000·10⁻²

The same grid point, ten times out of ten. Nothing is being approximated: an identity holds, and the rule inherits it.

The L-curve, and where four rules put λThe norm of the solution against the norm of its residual, on logarithmic axes, as λ sweeps eight decades. The curve has a corner: to the left of it the noise is being amplified and to the right the signal is being thrown away. Four points are marked — the three rules that use only the data, and the oracle, which requires the exact answer and is not a method.10⁻²10⁻¹110¹10²10³10⁴‖Ax − b‖‖x‖the oraclediscrepancyL-curvegeneralisedscored against a truth none hasoracle, relative error0.11discrepancy principle, as a multiple1.1L-curve corner, as a multiple2.3generalised cross-validation, as a multiple1the oracle needs the exact answer and is not a methodit is the reference the others are scored on
Fig. 2 The rules on the full problem, scored against an oracle that requires the answer. The discrepancy principle is the middle one and its weakness is not accuracy — it is that a mis-stated noise level costs five orders of magnitude in one direction and 27% in the other. Projection changes none of that, which is the point: the rule is exactly as good and exactly as fragile on the small problem.

The rule that does not

Generalised cross-validation is the rule that needs nothing but the data. It minimises the residual squared over the square of trace(I − AA⁺), and that trace is the part that does not survive.

The trace of the influence matrix counts the data the fit did not consume — n minus the effective number of parameters. On the projected problem there is no n. There are k + 1 projected rows, and the denominator is bounded by k + 1 whatever the problem’s dimensions were:

subspace size k GCV’s denominator
4 1.01
8 1.03
16 1.73
24 5.91
32 12.31
40 20.31
48 26.98

On a problem with sixty-four rows. The criterion at four steps and the criterion at forty-eight are two different criteria, and neither is the criterion the rule was derived for.

The interesting part is what that does, which is much less than it sounds like and in a very particular way.

The λ it selects hardly moves. Across the whole run, at 1% noise, it stays between 3.2·10⁻² and 6.8·10⁻² — a factor of 2.15 while its own denominator moves by a factor of 27. GCV is a ratio, its numerator is a residual that changes by orders of magnitude as λ crosses the noise level, and a denominator wandering by a factor of twenty-seven cannot move the minimum of something that steep.

But it is biased, and the bias has a size. Against the same rule applied to the full problem:

noise full-problem λ λ at k = 24 bias λ at k = 40 bias
10% 1.000·10⁻¹ 2.154·10⁻¹ 2.15× 1.468·10⁻¹ 1.47×
5% 6.813·10⁻² 1.468·10⁻¹ 2.15× 1.000·10⁻¹ 1.47×
1% 3.162·10⁻² 6.813·10⁻² 2.15× 4.642·10⁻² 1.47×
0.5% 2.154·10⁻² 4.642·10⁻² 2.15× 3.162·10⁻² 1.47×
0.1% 4.642·10⁻³ 2.154·10⁻² 4.64× 6.813·10⁻³ 1.47×

The λ grid steps by a factor of 1.468. So the bias is two grid steps at twenty-four, one grid step at forty, at every noise level across two decades, with a single exception at the smallest noise and the smallest subspace where it is three.

A bias that depends on the subspace size and not at all on the data is exactly what “the denominator counts the subspace” predicts, and it is the strongest available evidence that the mechanism named above is the mechanism operating. It is also always in the same direction: the projected rule chooses more regularisation than the full one, because a smaller denominator makes small λ look worse than it is.

What the bias costs, which is almost nothing

At 1% noise the oracle’s λ is 2.15·10⁻² and returns 0.1406. The full problem’s GCV picks 3.16·10⁻² and returns 0.1413. The projected GCV at k = 32 picks 4.64·10⁻² and returns 0.1429.

Two grid steps of over-regularisation, and 1.6% of error.

One subspace, solved and regularised, at 0.50% noiseTwo error curves against the number of bidiagonalisation steps, on a logarithmic vertical axis. The unregularised iterate reaches 0.1221 at step 22 and then climbs to 80.4 — a factor of 658. The iterate with a penalty on the projected problem reaches 0.1331 and stays within 0.00% of it for the rest of the run.1591317212529333710⁻¹110¹10²bidiagonalisation stepsrelative errorleast without: 22no penaltypenalty insidewhat stopping is worthbest without a penalty0.12and at step 4080best with one0.13and at step 400.13the same floor, reached twiceand only one run stays on it
Fig. 3 The same construction at half a per cent noise. Nothing about the argument depends on which of the two rules chose the inner λ — both land inside the flat region, and the flat region is what the previous essay measured: any λ from about 0.02 upward holds the floor.

That is not a defence of the bias so much as a statement about the terrain. This site’s combination field has spent two essays establishing that a wide band of sensible parameters lands on one floor, and a rule biased by two grid steps is still inside the band. The bias would matter on a problem whose error curve had a sharp minimum, and the reason this one does not is the same reason regularisation is necessary at all: the singular values decay smoothly with no gap, so nothing about the answer changes abruptly with the cut-off.

Singular values and |uₖᵀb|, with and without 1.0% noiseThree curves against the index on a logarithmic vertical axis. The singular values fall exponentially to the level of rounding. With an exact right-hand side the coefficients fall faster and every term of the solution stays bounded. With noise they flatten at index 32, and from there on each term is noise divided by a σ of 6.8·10⁻⁴.081624324048566410⁻¹⁷10⁻¹⁴10⁻¹¹10⁻⁸10⁻⁵10⁻²10¹index kmagnitudethe floor: k = 32best truncation: k = 21σₖ|uₖᵀb| exact|uₖᵀb| with noisetwo different indicesthe crossing, from the data alone32the truncation that is actually best21relative error there0.14the exact coefficients never flattenthe noisy ones stop at ‖e‖/√n
Fig. 4 Why there is no sharp minimum to miss. The coefficients of the data fall until they reach the noise floor and then stop falling; there is no index at which the useful information ends, only a region where it fades out. A parameter rule is choosing a point in that region, and points in it are close together in error.

The rule that declines

There is a third behaviour, and this site has an established preference about it.

Below eight steps the discrepancy principle returns nothing at all. Not a bad λ — no λ. In a six-dimensional subspace, the residual at λ = 0 is still above the noise level, because the projection has not yet let in enough of the problem for the data to be fitted that well. The rule asks for the largest λ whose residual is under the noise, and there is no such λ.

subspace size k discrepancy principle GCV
2 no answer 6.81·10⁻²
4 no answer 3.16·10⁻²
6 no answer 3.16·10⁻²
8 4.64·10⁻² 3.16·10⁻²
16 6.81·10⁻² 6.81·10⁻²
32 6.81·10⁻² 4.64·10⁻²
48 6.81·10⁻² 3.16·10⁻²

GCV answers everywhere, including where the answer means nothing. The verified-bound essays made the argument for the other behaviour directly: an interval method’s three outcomes are there is a root here, there is no root here, and nothing can be said, and the third is what makes the first two worth having. A rule that always returns a number cannot distinguish between a problem it has understood and one it has not.

In practice the distinction is small here, because the errors at k ≤ 6 are close together whatever λ is used — 0.175 and 0.150 at two and four steps, from either rule. But the reason they are close is that the subspace is doing the regularising at that size, which the previous essay’s condition numbers show directly: at two steps the projected problem has κ = 1.38 and there is nothing for a penalty to suppress.

The smallest singular value the subspace has let inThree quantities against the number of steps, on a logarithmic vertical axis. The smallest singular value of the projected problem falls from 0.724 to 1.31·10⁻⁵; the noise divided by it, and the unregularised error, rise together and stay a factor of about 0.23 apart over four decades.26101418222630343810⁻⁵10⁻³10⁻¹10¹10³steps takensize‖e‖ / σ_minerrorσ_min of Bwhich number is the oneσ_min at the last step1.3·10⁻⁵κ(B) there7.6·10⁴κ(A), for comparison5.7·10¹²error ÷ (‖e‖/σ_min)0.23κ of the projection is a million times too smalland σ_min is exactly right
Fig. 5 The same run drawn against what the subspace has admitted. Below about twenty steps the smallest projected singular value is still large, the noise is not being amplified, and both rules are choosing a parameter for a problem that does not need one.

The third rule, and why it half transfers

The L-curve reads two coordinates — the residual and the norm of the solution — and looks for the corner where the curve bends. Both coordinates survive projection, and the second does so for the same reason as the first: Vₖ has orthonormal columns, so ‖Vₖ y‖ equals ‖y‖ exactly, measured here at 8.9·10⁻¹⁶ and at zero.

So every point of the projected L-curve is a genuine point of an L-curve. And at forty steps the projected corner is the same grid point as the full problem’s — 6.813·10⁻³, error 0.1944, which is the corner’s own known shortfall and not a projection effect.

At twenty-four steps it is not. The projected rule returns 1.468·10⁻⁶ — the far end of the grid, nowhere near a corner anybody would draw — and an error of 0.2297.

The reason is worth separating from the trace story, because it is a different failure. Every point transfers exactly; the corner does not, because a corner is a property of the whole curve, and the projected curve is truncated. With twenty-four directions available, driving λ towards zero cannot make ‖x‖ large, since the solution cannot leave the subspace — so the vertical arm of the L, which is the thing the corner is the corner of, is simply absent. The rule then finds the largest curvature somewhere else and reports it with no indication that the feature it was looking for was not there.

That is the third behaviour on this page: a rule that is exactly right pointwise and wrong globally. GCV is biased by a knowable amount, the discrepancy principle is exact or undefined, and the L-curve is correct at every point and looking for something the small problem does not contain.

What a lie costs inside a subspace

The discrepancy principle’s fragility is that it has to be told ‖e‖. The transfer identity means the projected rule inherits the fragility exactly — the same λ is chosen from the same lie — and the answers are not the same at all.

told λ, both problems error on the 64×64 problem error at k = 32
a tenth of the noise 1.00·10⁻⁶ 719.3 4.05
the truth 6.81·10⁻² 0.1446 0.1446
ten times the noise 2.15·10⁻¹ 0.1618 0.1618

Understating the noise by a factor of ten costs a factor of 5,000 on the full problem and a factor of 28 inside the subspace. The rule made the identical mistake in both cases; what differs is how much damage the mistake could do, and the subspace has only thirty-two directions to be wrong in.

This is krylovreg.js’s own finding one construction along. There, the integer knob degraded gently where the continuous one did not, because a run has an end. Here the continuous knob degrades gently too, for the same reason and by a different mechanism: a run has an end, and so does a subspace.

Overstating the noise costs 12% either way, which is the asymmetry the regularisation field already measured, unchanged by projection.

Choosing on a small problem is not choosing cheaply

The obvious reason to want the parameter chosen on the projection is cost. A sweep over forty-three penalties on a 25×24 bidiagonal system is nothing; the same sweep on the full problem needs a factorisation or a singular value decomposition per parameter, which is what the regularisation field pays and why its figures are drawn at n = 64.

That is real, and it is not the interesting half. The interesting half is that the projected problem is available and the full problem may not be. An iterative method is chosen when A is too large to factorise or is only known through its action on a vector; in that setting the full problem’s GCV cannot be computed at all, because its trace needs the singular values. The projected trace needs the singular values of a 25×24 bidiagonal matrix, which cost nothing.

So the comparison drawn above — projected rule against full rule — is a diagnostic rather than a choice anybody has. It exists because the problem was constructed small enough for both to be run, which is the same reason the oracle exists on this site at all.

The recovered signal at three λ, 1.0% noiseThree recovered signals against the truth. At the best λ the two bumps are recovered and the step is rounded off. Fifty times smaller and the answer is dominated by amplified noise; fifty times larger and the step has gone entirely. The step is the feature that costs the most to represent and it is the first thing any filter loses.0816243240485600.511.5positionvaluethe truthbest λtoo littletoo mucheither side of the bestbest λ, relative error0.14fifty times smaller1.6fifty times larger0.43the step is the first thing every filter losesand it does not come back
Fig. 6 What the two-grid-step difference looks like as an answer rather than as a number. The over-regularised solution is slightly smoother at the step and slightly shorter at the peaks; on this problem it is not a visible difference, which is exactly what a 1.6% error gap should look like.

What is being asserted, and what would break it

The identity is asserted at four subspace sizes and three penalties, with the worst relative disagreement 7.7·10⁻¹⁵; the transfer is asserted as equality of the chosen grid point at five noise levels and two subspace sizes; and the trace bound — that the denominator cannot exceed k + 1 — is asserted at every k drawn.

That last one is the refusal. Feeding the build a claim that the projected trace counts the problem’s degrees of freedom, at k = 8 on a 64-row problem, has to fail: the trace there is 1.03 and the claim says it exceeds thirty-two. If someone later replaced the projected trace with a scaled version pretending to be the problem’s — which is one of the published repairs for this exact bias — the refusal would stop accepting the counterexample and the build would say so.

Two filters on one sum, λ = 0.046The weight each term of the solution is given, against its index. Truncation is a step: one for the first 21 terms and zero after. Tikhonov is σ²/(σ² + λ²), which falls smoothly through the same place. The unregularised solution is the constant one, which is why it divides noise by a σ of 1.7·10⁻¹³.081624324048566400.250.50.751index kfilter factor fₖno regularisation: fₖ = 1truncationTikhonovthe same sum, three weightsTikhonov, relative error0.13truncation, relative error0.14no filter at all5.5·10⁸both filters are one expression with a different weightfₖ = 1 is the catastrophe
Fig. 7 The filter the projected λ applies, drawn on the full problem’s singular values. Two grid steps of over-regularisation is this curve moved slightly left.
Four knobs on one problem at 0.50% noiseRelative error against the fraction of each method's own range, on a logarithmic vertical axis. A truncation, a Tikhonov parameter, a conjugate gradient step count and a randomised rank each have an interior minimum, and the four minima are 0.1297, 0.1244, 0.1217, 0.1304 — a spread of 7%. The horizontal line is the best of them.00.250.50.75110⁻¹110¹10²10³fraction of the method's own rangerelative errorfloor 0.122truncation KTikhonov λCGLS steprandomised rankfour methods, one floortruncation K0.13Tikhonov λ0.12CGLS step0.12randomised rank0.13four knobs from four fieldsand one obstruction underneath them
Fig. 8 The floor the projected rules are landing on, from the combination field. A rule biased by two grid steps is still inside the band this figure measures.
Conjugate gradients on an ill-posed problem at 5.0% noiseTwo curves against the step count on a logarithmic vertical axis. The relative residual falls at every one of the 120 steps without exception. The error against the true signal falls to 0.1562 at step 5 and then climbs, reaching 30.3 by the end — 193.8 times its best value.015304560759010512010⁻¹110¹steprelative sizeleast error: 5discrepancy stop: 3errorresidualthe knob is an integerleast error, at step5error there0.16error at step 12030the residual falls at every stepthe error turns and keeps rising
Fig. 9 The behaviour the inner rule is choosing a parameter against: an error that turns while the residual it is scored on does not.

What the drag does

The slider is the noise level, and it moves one thing that matters: the subspace size at which the discrepancy principle becomes available. With less noise the residual has further to fall before it reaches the noise level, so a larger subspace is needed before any parameter can bring it down.

The trace curve does not move at all under the slider. It is a property of the subspace and of λ, and the data does not enter it — which is the whole argument of this essay drawn as an absence.

Below half a per cent of noise something else appears: GCV’s λ starts to move with k in earnest, a factor of 6.8 at 0.2% noise and 14.7 at 0.1%. That is not the trace catching up. It is the problem: at low noise the components the subspace admits late are still worth keeping, so the right λ genuinely falls as k grows, and the rule is following the answer rather than its own denominator. The assertion is therefore written in two halves either side of that noise level, in the precedent this site set at the mixed-precision threshold — a claim stated unconditionally where it is false over a third of the slider is a claim the figure would be quietly wrong about.

Named objects

A flat tag is an object no other essay names yet.

Discrepancy principleGeneralised cross validationGolub kahan bidiagonalisationHybrid regularisationIll posed problemInfluence matrixOracleParameter choiceProjected problemStopping criterion