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Numerical differentiation and derivative error control — Examples

1 · Prerequisites

2 · Summary

The examples compute a worst-case noisy forward-difference error at its balancing step, show failure of complex-step on the nonholomorphic absolute value, and recover reaction-network Jacobian columns by a collision-free coloring. A separate witness shows why a color collision destroys identifiability.

3 · Logical flowchart

4 · Definitions, theorems and proofs

None yet.

5 · Examples, counterexamples and false statements

CounterexampleConstruction: AI-generatedVerification: AI-generatedprecheck passjudge pass (gpt-6-luna)Open item page →

A colliding color seed cannot distinguish two Jacobians with different entries

Statement refuted

For any coloring of the columns, one compressed product determines every Jacobian entry allowed by the row support.

Facts & Assumptions

Given: One row with safe support S0={0,1}, a coloring that assigns both columns the same color, and seed s=(1,1)T.

[F1]
[F2]

A collision-free column coloring recovers every structurally sparse Jacobian entry: the recovery guarantee requires a proper coloring, and collision-free supports permit reading one entry from each compressed row.

Counterexample

Given: The row pattern and colliding seed in the Facts & Assumptions.

1.1givenF1constructalgebra

The distinct candidate Jacobian rows J=(1,2) and K=(3,0) are realized at (0,0) by the linear maps F(z0,z1)=z0+2z1 and G(z0,z1)=3z0. Both supports lie in S0, but [F1] gives Js=1+2=3 and Ks=3+0=3.

2.1givenF2step 1.1algebra∎

Since the same observation is compatible with different entries in columns 0 and 1, this colliding seed does not identify the row. The collision violates the proper-coloring hypothesis of [F2], so the unconditional statement is false.

CounterexampleConstruction: AI-generatedVerification: AI-generatedprecheck passjudge pass (gpt-6-luna)Open item page →

The absolute-value extension gives a zero complex-step quotient despite its real derivative

Statement refuted

For every open U⊆C, every f:U→C, every open real interval I with x∈I⊆U∩R on which f is real-valued and differentiable at x, and every h>0 with x+ih∈U, the quotient Im⁡f(x+ih)/h equals (f∣I)′(x).

Facts & Assumptions

Given: U=C, f(z)=∣z∣, x=1, I=(0,2), and any h>0.

[F1]

Real and imaginary parts, complex conjugation, and modulus: if z=a+bi, then ∣z∣=a2+b2 and Im⁡z=b.

[F2]

The complex-step derivative estimator and its component-error model: the notation Chf(x)=Im⁡f(x+ih)/h is defined there for holomorphic f that is real-valued on a real interval around x; the counterexample tests the same quotient formula without holomorphy.

[F3]

Complex-step differentiation is second-order for holomorphic functions real on the real axis: its derivative-error conclusion assumes f is holomorphic near the vertical segment and real on a real interval around x.

Counterexample

Given: The function, point and step in the Facts & Assumptions.

1.1givenF1algebra

On a real neighborhood of 1, f(t)=∣t∣=t, so the ordinary derivative of the real restriction at 1 is 1.

1.2givenF1algebra

By [F1], f(1+ih)=1+h2 is real. Thus the quotient in the Statement is 0 for every h>0, which is not the real derivative 1.

2.1givenF1F2F3step 1.2algebra∎

The complex difference quotient along real increments s is (∣1+s∣−1)/s=1 for ∣s∣<1 and s≠0. Along imaginary increments it is (1+s2−1)/(is)=−is/(1+s2+1)→0. The limits differ, so f is not complex differentiable at 1 and the formally defined estimator in [F2] and guarantee in [F3] do not apply; step 1.2 instead refutes the unqualified quotient claim.

ExampleConstruction: AI-generatedVerification: AI-generatedprecheck passjudge pass (gpt-6-luna)Open item page →

One color recovers two separated reaction columns of a sparse Jacobian

Example

Consider two independent first-order reactions A→k1B and C→k2D, with k1,k2>0 and state y=(a,b,c,d). Their vector field is F(y)=(−k1a,k1a,−k2c,k2c).

Facts & Assumptions

Given: The vector field and positive rates above.

[F1]

The Jacobian matrix of partial derivatives and the gradient in the scalar-valued case: the Jacobian entries are the coordinate partial derivatives of the vector field.

[F2]

The column-interference graph and collision-free coloring for a sparse Jacobian: columns sharing a row support interfere; a color seed is the indicator vector of its columns.

[F3]

A collision-free column coloring recovers every structurally sparse Jacobian entry: a proper coloring of a safe support pattern recovers each Jacobian entry from the corresponding compressed product.

Verification

1.1givenF1F2algebra

Differentiating the four components in coordinate order (a,b,c,d), indexed 0,1,2,3, gives J=(−k1000k100000−k2000k20). The row supports are {0},{0},{2},{2}, so no row contains two columns and the coloring that assigns all four columns one color is proper.

2.1givenF2F3step 1.1algebra∎

Its seed is s=(1,1,1,1)T and Js=(−k1,k1,−k2,k2)T. Each row has at most one supported column of this color, so [F3] recovers the nonzero entries from these four values; the remaining entries are zero by the declared pattern.

ExampleConstruction: AI-generatedVerification: AI-generatedprecheck passjudge pass (gpt-6-luna)Open item page →

A quadratic attains the forward truncation bound and exhibits the balanced noisy step

Example

Take f(t)=t2 at x=1. Its exact forward difference has truncation error h. If each call may err by δ>0, the allowed errors e1+h=δ and e1=−δ attain the forward bound h+2δ/h. This bound is minimized at h=2δ.

Facts & Assumptions

Given: The function, point, positive step and evaluation errors above.

[F1]

Forward and central difference stencils with bounded evaluation errors: Dh+f(1)=(f(1+h)−f(1))/h and the inexact quotient replaces each value by f(y)+ey.

[F2]

The forward and central error bounds have explicit balancing steps: when M2=2 the forward error bound M2h/2+2δ/h is minimized at h=4δ/M2=2δ.

Verification

1.1givenF1algebra

Substitution gives Dh+f(1)=((1+h)2−1)/h=2+h, while f′(1)=2; the truncation error is exactly h=M2h/2 because f′′=2.

2.1givenF1step 1.1algebra

With the stated errors, D^h+f(1)=((1+h)2+δ−(1−δ))/h=2+h+2δ/h, so the error bound is attained exactly.

3.1givenF2step 2.1algebra∎

Set δ=1/2. Then [F2] gives h=1; the truncation and evaluation contributions are each 1, so the total error is 2, equal to the minimum 22δ.

Sources