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Differentiated explicit RK stages give local C1 order

Statement

Use the dimensions, exact interval maps Φn,Kn, terminal and initial data, and Euclidean conventions of Local C1 step consistency gives tangent, adjoint and gradient order. Let (A,b,c) be a fixed explicit s-stage tableau with ci=∑j<iaij and ∑ibi=1. Its weights may be negative or zero. The actual numerical state and cost maps are Yi=x+h∑j<iaijf(tn+cjh,Yj,θ), Ψn=x+h∑ibif(tn+cih,Yi,θ),Ln=h∑ibiℓ(tn+cih,Yi,θ). These are exact finite-stage maps, not outputs of a stopped implicit solver.

Assume f:D→Rd and ℓ:D→R are C2 on an open convex time-state-parameter domain. On a common compact convex subset with positive margin in D, their derivatives through order two are uniformly bounded. All admitted local exact trajectories, all numerical trajectories and stages, and all needed joining segments lie in this domain and common tube, uniformly over the fixed parameter neighborhood and h≤h0. Stage times outside [tn,tn+1] are included when the tableau has such abscissae. Unique admitted local flows are assumed as in the flow-tangent supplier.

Put r=d+m, E=[Id 0]∈Rd×r and Eθ=[0 Im]∈Rm×r. Consider the autonomous augmented system, with components t,u,ϑ,C,V,g, t′=1,ϑ′=0,u′=f(t,u,ϑ),C′=ℓ(t,u,ϑ), V′=fu(t,u,ϑ)V+fθ(t,u,ϑ)Eθ, g′=VTℓu(t,u,ϑ)T+EθTℓθ(t,u,ϑ)T. For every admitted local start use (tn,x,θ,0,E,0). Suppose application of the same tableau to this augmented system has uniform exact-start defect at most Cahp+1, for an integer p≥1, on a common compact convex augmented tube with positive margin. This is a local augmented-order hypothesis, not a global tangent, adjoint or gradient-error assumption.

Then the actual maps Ψn,Ln satisfy all local value, first-derivative, 1+Lh derivative-stability, Mh derivative-size, and Hh exact-derivative Lipschitz hypotheses of Local C1 step consistency gives tangent, adjoint and gradient order, with constants independent of n,N. Subject to that lemma's initial and terminal hypotheses, their actual differentiated graph tangents, exact reverse adjoints, and reduced gradients consequently have order-p global error.

A concrete sufficient instantiation for 1≤p≤4 is that this augmented vector field is C4 with bounded derivatives through order four on its admitted compact convex tube and the tableau satisfies the coefficient equations through order p in Sufficient explicit Runge–Kutta order conditions through order four. Jointly C5 base data f,ℓ with bounded derivatives through order five on the base tube are sufficient for this augmented C4 condition. The classical RK4 tableau a21=a32=12,a43=1,b=(16,13,13,16),c=(0,12,12,1), with all other aij=0, therefore gives the claimed order-four tangent, nodal-adjoint and gradient approximation under these hypotheses. For general p, retain the explicit local augmented-defect hypothesis above; no higher-order coefficient theorem is being asserted.

Facts & Assumptions

Given: The hypotheses and data in the Statement.

[F2]

Parameter-dependent ODE flows have the variational tangent on a common tube, Gronwall's integral inequality with variable and constant coefficients: The common-tube flow derivative solves the variational equation. Grönwall bounds its solutions uniformly on a fixed finite time interval.

[F3]

Sufficient explicit Runge–Kutta order conditions through order four: The order-conditions supplier establishes local order through four for a C4 autonomous augmented field on its stated compact convex tube. The time equation produces the actual stage times because ci=∑j<iaij.

[F4]

Global error from uniform one-step defect and stability, Local C1 step consistency gives tangent, adjoint and gradient order: Uniform local defect and one-step Lipschitz stability imply global error for the same augmented method. The preceding local-C1 lemma independently derives the backward nodal-adjoint estimate and the graph-gradient estimate.

[A1]

The domain, local flow, derivative, tube, local augmented-defect, initial-data and terminal-data assumptions in the Statement hold. The augmented local tube includes the exact local augmented paths and actual augmented RK stages for all the specified seeds. No tube containment is inferred from a formal order condition alone.

Proof

1.1F2A1

Set ξ=(x,θ). The exact local solution has V(t)=Dξu(t) because V(tn)=E and its displayed equation is the variational equation, with Dξθ=Eθ. Differentiating the cost integral gives g(t)=DξC(t)T. Thus at the local endpoint, V+=[DxΦn DθΦn],g+=(DxKnTDθKnT). The flow result and bounded continuous derivatives justify these differentiations uniformly.

2.1F1A1step 1.1

Differentiate each actual stage, in its explicit order. If Vi=DξYi, then Vi=E+h∑j<iaij(fu,jVj+fθ,jEθ), DξΨn=E+h∑ibi(fu,iVi+fθ,iEθ), DξLnT=h∑ibi(ViTℓu,iT+EθTℓθ,iT). These are exactly the V and g outputs obtained by applying the same RK tableau to the augmented system. Its C output is Ln and its u output is Ψn. Consequently the assumed augmented local defect bounds Ψn−Φn, Ln−Kn, and all four first-derivative differences by constants times hp+1. Projection to a component does not increase the Euclidean norm; a matrix Frobenius bound also bounds its operator norm.

3.1F1F2A1

For a fixed finite tableau, the stage derivative recurrences in step 2.1 give uniform bounds on DxYi,DθYi by induction, using h≤h0 and the bounded first derivatives of f. Here DxYi=I+O(h) and DθYi=O(h). Substitution into the output derivatives gives DxΨn=I+O(h),DθΨn=O(h),DxLnT=O(h),DθLnT=O(h), uniformly. In particular ∥DxΨn∥≤1+Lhh for a fixed constant Lh. The exact variational integral equation gives the same bounds for the exact maps, with ∥DxΦn∥≤eKh≤1+KeKh0h. Enlarging the constants gives the common L,M required by the preceding lemma.

3.2F3A1step 2.1

For p≤4, apply [F3] to the displayed autonomous augmented field itself. Its derivatives through order four exist and are uniformly bounded under the asserted augmented C4 hypothesis. Joint base C5 regularity is sufficient because its variational components use first derivatives of the base fields. All its exact paths and stages are admitted by [A1]. The source proposition therefore supplies the exact local augmented-defect premise used in step 2.1. This application concerns the differentiated augmented method, rather than just its state projection.

4.1F1F2A1step 3.1

The exact maps have the required second-derivative bounds of size O(h). To justify differentiating their variational equations, apply the common-tube C1 flow result to the first variational system: its field is C1 since f is C2, its initial derivative seed is constant, and its variational components remain bounded by [F2]. For coordinate directions a,b of ξ, put Wab=DξaDξbu. Then Wab′=fuWab+D(u,θ)2f[(Va,Eθ,a),(Vb,Eθ,b)],Wab(tn)=0. The forcing is uniformly bounded, so Grönwall on an interval of length h gives ∥Wab∥≤Ch. Differentiating the cost integral twice produces the integrand D(u,θ)2ℓ[(Va,Eθ,a),(Vb,Eθ,b)]+ℓuWab, which is uniformly bounded, and hence Dξ2Kn=O(h). Thus Dξ2Φn=O(h) and Dξ2Kn=O(h). Applying the one-dimensional mean value inequality along each admitted state segment gives Lipschitz constants Hh for Ane,Bne,cne,dne.

4.2F1F2A1step 2.1step 3.1

There is also a direct augmented global-error interpretation. Along a full trajectory append C′=ℓ and the column G′=STℓuT+ℓθT, with C(0)=0,G(0)=0 and S′=fuS+fθ. Differentiating the actual stages shows that its numerical step is exactly S+=AnhS+Bnh,C+=C+Ln,G+=G+STcnh+dnh. The analogous exact step uses the exact maps. On bounded S sets, step 2.1 therefore supplies a uniform O(hp+1) local defect for (u,S,C,G). Exact S is bounded by Grönwall; numerical S is bounded by the 1+Lh,Mh recurrence from step 3.1. The sums defining C,G then bound them uniformly as well. Their stage values are bounded by the same finite-stage induction.

5.1F4step 2.1step 3.1step 4.1

Steps 2.1–4.1 establish precisely the local hypotheses of the preceding lemma. That lemma now proves the global state, actual graph-tangent, backward nodal-adjoint and gradient bounds. In particular the adjoint conclusion is derived; it is not inserted as an additional hypothesis.

6.1F4A1step 3.1step 4.2

On a common compact convex augmented tube containing these values and joining stage segments, the C1 augmented field has a derivative bound K. For two starting augmented states with difference δ, explicit stage differences obey δi≤δ+hK∑j<i∣aij∣δj. Induction gives δi≤Diδ, where D1=1 and Di=1+h0K∑j<i∣aij∣Dj. The output difference is at most (1+hK∑i∣bi∣Di)δ. Thus the actual augmented method has one-step stability 1+Λh. The global-error supplier applies, giving order-p error in the actual tangent and accumulated cost derivative as well. This independently exhibits the augmented local-to-global route; step 5.1 additionally supplies the nodal adjoint.

7.1F3step 3.2algebra∎

For the displayed RK4 tableau the eight coefficient sums, in the order stated in the source proposition, are 1,1/2,1/3,1/6,1/4,1/12,1/8,1/24. For example Ac=(0,0,1/4,1/2), Ac[2]=(0,0,1/8,1/4), and A2c=(0,0,0,1/4), which verify the mixed sums directly. Hence step 3.2 applies with p=4. No division by an individual bi or internal-stage adjoint order condition occurs in this argument.

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