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A gauge-fixed stable discrete path lies within second order of a smooth MEP

Statement

Let L>0 and let M≥2 be an integer. Let V and U satisfy Regular minimum-energy paths on a declared collision-free tube, and let R∗:[0,L]→U be a C3 unit-speed regular MEP with fixed endpoints, using the endpoint extension convention of Polyline interpolation and equal-length redistribution approximate a smooth arc-length path. For h=L/M, let zh=(R∗(h),…,R∗((M−1)h)) be its interior samples and let Ih be piecewise-linear reconstruction with the same fixed endpoints.

In a local coordinate chart, choose a smooth orthonormal normal frame Qi at each centered discrete tangent, and keep that frame convention and chart fixed throughout the local ball. Define the square gauge-fixed residual Gh on the d(M−1) interior coordinates by the (d−1)(M−1) scalar entries of QiT∇V(Ri) and the M−1 independent spacing components ℓi−ℓM, 1≤i<M, where ℓi=∥Ri−Ri−1∥2. Its norm is the maximum absolute value of all scalar residual coordinates; the domain norm is the maximum absolute value of all node coordinates. Assume this chosen map is C1 on the open ball in hypothesis 2. The endpoints are fixed and the spacing equations fix the arc-length reparameterization; a zero of this residual is exactly a zero of all centered-tangent normal force components and equality of all segment lengths.

Assume that for all sufficiently small h the following constants C0,β,LG,CI>0 are independent of h:

  1. The consistency and interpolation bounds are ∥Gh(zh)∥∞≤C0h2 and ∥Ihzh−R∗∥C0,∞≤CIh2, where ∥Y∥C0,∞:=sup⁡s∈[0,L]max⁡j<d∣Yj(s)∣.
  2. DGh(zh) is invertible with induced maximum-norm inverse bound ∥DGh(zh)−1∥∞≤β, and DGh is LG-Lipschitz in the induced maximum operator norm on the open maximum-norm ball of radius 2ρh about zh, where ρh=2βC0h2.
  3. That ball lies in the residual's domain and βLGρh≤1/2.

Then there is a unique gauge-fixed discrete zero zh∗ in B‾∞(zh,ρh), and

∥Ihzh∗−R∗∥∞≤(CI+2βC0)h2.

The consistency hypothesis is supplied by Centered-tangent string residuals are second-order consistent on a regular MEP for the centered-tangent string residual. The theorem is conditional on the stated uniform inverse and Lipschitz bounds; it proves no blanket convergence result for every potential, mesh, or improved-tangent NEB chain.

Facts & Assumptions

Given: The MEP, fixed endpoints, discrete samples, reconstruction, square gauge-fixed residual, and uniform consistency/stability constants in the Statement.

[F1]

Regular minimum-energy paths on a declared collision-free tube: the continuous path is regular, satisfies the normal-gradient MEP equation, and has fixed endpoints.

[F2]

Centered-tangent string residuals are second-order consistent on a regular MEP: on equal arc-length samples the centered-tangent projected force is bounded by a mesh-independent constant times h2.

[F3]

Polyline interpolation and equal-length redistribution approximate a smooth arc-length path: under its endpoint C3 convention, piecewise-linear interpolation and equal-length redistribution of the sampled smooth path have O(h2) supremum error.

[F4]

A small residual gives a nearby root under a uniform inverse and Lipschitz bound in the maximum norm: if βϵ≤r/2, βLGr≤1/2, and the doubled maximum-norm ball lies in the domain, a square C1 residual with inverse bound β and derivative-Lipschitz constant LG has exactly one zero in the chosen radius-r ball, at distance at most 2βϵ.

[F6]

Polyline interpolation and equal-length redistribution approximate a smooth arc-length path: the C3 curve on [0,L] is understood as a restriction from an open interval containing that closed interval, with endpoint derivatives taken continuously from the extension.

Given: The hypotheses of the Statement.

Proof

1.1givenalgebra

The normal frame has d−1 columns for each of the M−1 interior images, and the M−1 independent spacing components add (d−1)(M−1)+(M−1)=d(M−1) scalar residual coordinates, matching the interior-coordinate dimension.

2.1F1F2F3F5F6step 1.1givenalgebra

The MEP and C3 hypotheses are those in [F1] and [F6]. By [F2], the Euclidean norm of the projected normal force at each sample is bounded by a constant times h2. Each normal coordinate is its inner product with a unit frame vector, so [F5] bounds that scalar by the same amount. By [F3], each chord length satisfies ∣ℓi−h∣≤C1h3, so ∣ℓi−ℓM∣≤2C1h3≤2C1h2 because h≤1. Each scalar coordinate of the residual has a bound independent of the number of images, so their maximum is at most C0h2 after increasing the uniform constant C0. Also by [F3], the reconstruction of the sample path differs from R∗ by at most CIh2 in componentwise supremum norm.

3.1F4givenstep 2.1

Set ϵh=∥Gh(zh)∥∞≤C0h2. Apply [F4] in the fixed gauge chart with inverse bound β, Lipschitz bound LG, and radius r=ρh. Since βϵh≤βC0h2=ρh/2 and βLGρh≤1/2, the lemma gives exactly one discrete zero zh∗ in B‾∞(zh,ρh) and ∥zh∗−zh∥∞≤2βϵh≤ρh. This also covers ϵh=0.

4.1F3givenstep 3.1algebra∎

For each curve parameter, piecewise-linear reconstruction is a coordinatewise convex combination of neighboring node values. Hence its componentwise supremum norm is nonexpansive: ∥Ihzh∗−Ihzh∥C0,∞≤∥zh∗−zh∥∞≤ρh. The interpolation error in [F3] is stated in Euclidean vector norm and therefore also bounds the componentwise supremum norm. The triangle inequality now gives ∥Ihzh∗−R∗∥C0,∞≤ρh+CIh2=(2βC0+CI)h2. The endpoints remain fixed in reconstruction, and Gh(zh∗)=0 gives equal segment lengths.

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