Numerical Linear Algebra
where the algebra stops being the arithmetic
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The thread: Where the algebra stops being the arithmetic

Every identity in linear algebra is exact, and every implementation of it is not. The gap is not a defect to be apologised for — it is the subject. QᵀQ is the identity in the algebra and is measurably not the identity in the arithmetic, and the difference between those two sentences is what this site is about.
[½, 1)[1, 2)[2, 4)0.5124gap 0.125gap 0.25 — twice as wide8 values per octavespacing doubles at each power of two The arithmetic underneath

What a float can hold

The representable numbers are not a fine fuzz spread evenly over the line. They are evenly spaced inside each power-of-two interval and twice as far apart in the next one up, and almost everything else in this subject is a consequence of that one fact.

 the problem you posedA = H10b = A·(1, 2, …, 10)the problem it answered exactlyA + δA, b + δb‖δ‖ / ‖A‖ = 2.3·10⁻¹⁷the answer you wantedx = (1, 2, …, 10), exactlythe answer you gotx̂, wrong by 2.7·10⁻⁴ relativebackward error 2.3·10⁻¹⁷forward error 2.7·10⁻⁴κ = 1.6·10¹³κ · η = 3.6·10⁻⁴, and the measured forward error is 2.7·10⁻⁴.The algorithm is not at fault. The problem is.H10, LU with partial pivotingresidual and error differ Two errors, and whose fault they are

The exact answer to a nearby problem

A good algorithm does not give an approximate answer to your problem. It gives the exact answer to a problem very close to yours — and once that is the definition, a wrong result has two possible authors and they can be measured apart.

 21-13-3-121-212-443-12as givenrows in the order 1 2 3 443-1201.251.252.502.51.5-30-0.5-0.52after step 1pivot 443-1202.51.5-3000.5400-0.21.4after step 2pivot 2.543-1202.51.5-3000.540003after step 3pivot 0.5‖PA − LU‖/‖A‖0largest multiplier0.75row order 4 3 2 1the pivot is chosen Elimination, and the swap

Elimination is a sequence of choices

Gaussian elimination is taught as a procedure with no decisions in it. There is one decision at every step — which row to use — and every stability property the algorithm has comes from making it well.

 A = H8 · κ = 1.5·10¹⁰ · both factorisations reconstruct A to 6·10⁻¹⁷the diagonal is 1 in both — every column is a unit vector either way1.000000000001.000000000001.000000000001.000000000001.00000.002-0.002000001.0000.125-0.13300000.0020.1251.000-1.0000000-0.002-0.133-1.0001.000classical Gram–Schmidt1.000000000001.000000000001.000000000001.000000000001.000000000001.000000000001.000000000001.000Householderclassical ‖QᵀQ − I‖1.4Householder ‖QᵀQ − I‖1.4·10⁻¹⁵largest off-diagonal 1 against 3.1·10⁻¹⁶length is not angle Orthogonality, measured

Orthogonal is a number

"Q is orthogonal" is a claim about a measurable quantity, ‖QᵀQ − I‖, and on the eight-by-eight Hilbert matrix two standard algorithms return 10⁻¹⁵ and 1 for it. The one that returns 1 still reconstructs the matrix perfectly, which is why nothing warns you.

 everything Ax can reachb = (1.1, 0.4, 1.5)Ax, the closest reachable pointr = b − Ax‖Aᵀr‖ / (‖A‖‖r‖)1.7·10⁻¹⁶‖b‖² − ‖Ax‖² − ‖r‖²1.3·10⁻¹⁵‖r‖1.3200 random nearby points of the plane were tried; none is closer.a 3×2 system, Householder QRperpendicularity is checked Least squares, and the road not to take

The projection and the right angle

The least-squares solution is the one whose residual is perpendicular to everything the columns can reach. That is not a mnemonic — it is an equation, Aᵀr = 0, and the computed answer satisfies it to 10⁻¹⁶.

 10⁻¹²10⁻¹⁰10⁻⁸10⁻⁶10⁻⁴10⁻²110⁻¹⁷10⁻¹⁴10⁻¹¹10⁻⁸10⁻⁵10⁻²10¹xrelative error of the computed value(1 − cos x)/x², as written2 sin²(x/2)/x²no digits left at alldouble precision throughoutone function, two spellings The arithmetic underneath

Cancellation takes the answer, not a digit

Subtracting two nearly equal numbers is exact. That is what makes it dangerous — the subtraction introduces no error at all, it exposes error the operands were already carrying, and the exposure can consume every significant figure at once.

 for each previous column i, subtract the projection of column j onto qᵢclassicalr[i][j] = qᵢ · a[j] ↑ the ORIGINAL columnv = v − r[i][j] · qᵢthe three worst |qᵢ · qⱼ|:columns 7 and 8: 1columns 6 and 8: 0.13columns 6 and 7: 0.13modifiedr[i][j] = qᵢ · v ↑ what is LEFT of itv = v − r[i][j] · qᵢthe three worst |qᵢ · qⱼ|:columns 1 and 8: 4.4·10⁻⁷columns 2 and 8: 2.7·10⁻⁷columns 3 and 8: 2.4·10⁻⁸The two R factors agree to 1.2·10⁻⁶ relative. The two Q factors do not.the 8×8 Hilbert matrixone word, eight orders Orthogonality, measured

Two Gram–Schmidts

One argument changes. Classical Gram–Schmidt projects the original column onto each previous direction; modified projects what is left of it. In exact arithmetic the coefficients are identical. In floating point they differ by eight orders of magnitude in the thing that matters.

 1234567891010⁻¹⁸10⁻¹⁵10⁻¹²10⁻⁹10⁻⁶10⁻³1indexsingular valuecutoff, σ₁ · 10⁻¹⁰numerical rank 10gap 8.2·10⁶an opiniontrue rank 410×10, built with 4 nonzero valuesrank is a decision Eigenvalues, singular values, rank

Rank is a decision

A floating-point matrix does not have a rank. It has a spectrum of singular values, and somewhere in that spectrum is a place where the values stop being signal and start being noise. Deciding where is a judgement, and the evidence for it is a gap.

 10¹10²10³10⁴10⁵10⁶10⁻⁹10⁻⁷10⁻⁵10⁻³10⁻¹number of terms addedrelative error against the exact sumin orderin a treecompensatedbinary32 · terms are 1/icompensated: 3·10⁻⁸ The arithmetic underneath

The order they are added in

Addition is associative in the algebra and is not associative in the arithmetic. The same million numbers, added in a different order, give answers that differ in the third significant figure — and the fix is not a wider float, it is a different order.

 the mirrorx, length 4.000Hx = (-4.000, 0)v = x − αe₁safe sign: α = −‖x‖, so v is formed from a sum and nothing cancelsunsafe sign: α = +‖x‖ gives ‖v‖ only 35.1% of ‖x‖ + ‖x‖ — the digits go‖HᵀH − I‖5·10⁻¹⁶‖Hx‖ − ‖x‖8.9·10⁻¹⁶second component2.2·10⁻¹⁶built from a unit vectororthogonality is structural Orthogonality, measured

A reflection cannot stop being one

Householder QR holds orthogonality at 10⁻¹⁵ whatever the condition number of the matrix, and Gram–Schmidt does not. The reason is not that it is more careful. It is that its Q is built from unit vectors, and rounding a unit vector gives a different reflection rather than a broken one.

 10⁻⁴10⁻³10⁻²10⁻¹110¹10²10³10⁻¹⁶10⁻¹³10⁻¹⁰10⁻⁷10⁻⁴10⁻¹relative change in the coefficients, along the worst directionrelative increase in the residualcoefficients doubled39% change, fit unmoved in the sixth digit308×: the third digit movesκ(A) = 3.6·10⁶. Exact arithmetic would pick one point on this floor. It would not raise it.24 points, degree 9, monomial basisthe data leaves them free Least squares, and the road not to take

The valley with no bottom

A degree-nine fit's coefficients can be moved by a third of their own size before the residual changes in the sixth significant figure. The arithmetic did not lose those digits. The data never contained them.

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