Numerical Iteration, Convergence, and Error Estimates
A nonlinear integral equation can converge to machine precision and still answer the wrong problem. An FFT may have periodized unequal endpoints; a principal logarithm may have changed sheets; an excited root may have been held fixed; or a kernel pole may already have crossed the contour. The raw iteration residual does not by itself detect or bound any of these errors.
This page builds an auditable solver around the real minimal-chamber TBA and then extends the workflow to complex NLIE and Riemann–Hilbert equations. The central estimate is simple. If the exact map is a contraction with constant , then a continuum defect gives
The hard part is constructing . After the branch, contour, and chamber passport has passed, tail truncation, quadrature, FFT embedding, reconstruction, roots, arithmetic, and the nonlinear solve must all be included. Where contraction fails, a residual becomes a bound only after an inverse-Jacobian or Newton–Kantorovich estimate is supplied.
Freeze the numerical passport first
Section titled “Freeze the numerical passport first”After each route has been rewritten in its declared unknowns, use the following schematic numerical wrapper:
Here is the drive, contains declared divisor or residue sources, and includes the graph, measure, and contour. The residual is
The wrapper is literal for fused TBA and pseudoenergy-form RH equations. A DDV equation generally has two bankwise logarithms with route-specific signs. Rewrite those as separate components first; their lateral measures, branches, and orientations are not erased by the compact notation.
Before assigning a grid, record the following data.
| Passport entry | What the code must store |
|---|---|
| Equation route | Fused TBA, DDV/NLIE, or exact-WKB/GMN RH equation |
| Unknown | , , pseudoenergy, counting function, or multiplicative coordinate |
| Logarithm | Initial branch, unwrapped increments, and continuation history |
| Contour | Parametrization, orientation, lateral bank, and indentation |
| Asymptotics | Drive, constants at each end, and the subtraction profile |
| State divisor | Source locations, multiplicities, and integers |
| Chamber | Active charges, phases, pairings, and current coordinate chart |
| Observable | Period, energy, determinant, or quantization function and its normalization |
| Independent check | A Y-system, jump, symmetry, asymptotic, or direct-ODE identity not used by the solver |
Changing one entry defines a new numerical problem. Reusing the same array after a change is useful as a predictor, but it does not identify the two problems.
Subtract asymptotics before sampling
Section titled “Subtract asymptotics before sampling”The one-sided conformal or massless ODE/IM equations used here typically have an exponentially growing drive at the right end and a nonzero constant at the left. Sampling the full pseudoenergy wastes dynamic range, while periodizing its nonlinear logarithm creates an endpoint jump. Choose a switch analytic in the working strip, with
and write, node by node,
The remainders should decay at both ends in the intended chart. Compute analytically or to higher accuracy once, then convolve only the decaying remainder. A sharp window merely replaces one tail problem by Gibbs oscillations.
For real , evaluate the nonlinear logarithm without overflow as
For complex one may factor the dominant exponential,
but the integer is fixed by the transported sheet. Choosing a fresh principal logarithm independently at each node can manufacture jumps. Near , cancellation is a geometric event to track, not just a request for more digits.
Match quadrature to contour geometry
Section titled “Match quadrature to contour geometry”Three geometries need different discretizations.
- Parallel translation-invariant contours. Use uniform trapezoidal nodes and FFT-accelerated convolution after endpoint subtraction.
- General smooth rays or arcs. Parametrize each contour and use a Nyström rule with panelwise Gauss, Clenshaw–Curtis, or mapped quadrature. Retain its complex Jacobian and orientation.
- On-contour Cauchy kernels. Subtract the singularity and add the declared lateral term. For ,
The upper or lower bank then supplies its signed term, multiplied by the normalization of the RH kernel. A principal-value rule without this bank passport solves a different boundary-value problem.
A general Nyström discretization is
Its transparent implementation is an excellent reference even when the production solver uses FFTs.
For the earlier routes, the minimal fused TBA normally falls in case 1. DDV uses two coupled lateral banks, so the bank displacement must be refined as an independent control. GMN rays normally use mapped panel quadrature; Plemelj subtraction enters only when a boundary trace is actually evaluated on its jump ray.
FFT convolution keeps the mesh factor and lag order
Section titled “FFT convolution keeps the mesh factor and lag order”On an even- circular grid of interval length
store the circular lag samples as
With the standard FFT and an inverse transform carrying ,
There is one factor and no extra . The zero lag must occupy index zero. Sampling on the ordered coordinate array without a shift puts in the middle and translates the result. Replacing by convolves with the reflected kernel . The error is invisible for an even real kernel and reappears for phase-shifted kernels.
For even , the Nyquist lag represents both and . The circular storage above is therefore unambiguous only when those two kernel samples agree, as they do for an even kernel. For a nonsymmetric shifted kernel, use an odd grid with analogous signed-lag storage or the nonperiodic Toeplitz embedding below.
This formula is a circular convolution. For nonperiodic data, embed the Toeplitz first column and first row in a transform of length at least , zero-pad the weighted data, transform, and crop the physical entries. The companion code uses a length- embedding and verifies it against the dense Nyström matrix. Padding removes wraparound of the discrete sum; it does not remove continuum tail or quadrature error. Unlike the circular example, that code uses odd , includes both endpoints, takes , and applies endpoint trapezoidal weights.
Tail distance and strip width set different errors
Section titled “Tail distance and strip width set different errors”Page 1’s scalar kernel family is
Its exact two-sided tail mass is
If outside , then for the omitted convolution is bounded by
Consequently,
Bound the two ends separately when the driven right tail is superexponentially smaller than the constant left tail. For
one has . The bound deteriorates as a kernel pole approaches; crossing the wall requires Page 5’s residue or new-coordinate equation, not an enormous grid.
Mesh error is controlled by the analytic strip instead. If a genuinely -periodic function is analytic and bounded by in the periodic strip , the -point trapezoidal rule satisfies
If the integrand is analytic in , tends uniformly to zero as throughout that strip, and satisfies
then the infinite trapezoidal rule satisfies
The usable is bounded by the nearest kernel pole, logarithmic divisor, source cut, or singularity of the subtraction. On a finite interval one must additionally verify that the periodic extension is analytic across the joined endpoints; equality of endpoint values alone is insufficient.
Picard convergence is a norm estimate
Section titled “Picard convergence is a norm estimate”Let
Then
For a weighted component norm
define the induced contour norm and nonlinear bound
A sufficient Lipschitz constant on an invariant set is
If and maps the complete set into itself, Picard iteration exists, converges, and has a unique fixed point there. Equivalently, positive weights can be sought when the spectral radius of the nonnegative matrix is below one. For a translation-invariant real-line convolution, .
For the real scalar kernel , and , so . In the real minimal system, graph degree at most two and a common lower bound give
Complex shifted kernels require absolute norms, and can diverge near . The real estimate cannot be continued by analogy.
Damped Picard uses
When the undamped global bound is , the damped bound is
Thus damping slows the certified contraction. It can stabilize overly negative or oscillatory local modes when , but it cannot prove convergence from a norm bound .
Newton–Krylov takes over near hard branches
Section titled “Newton–Krylov takes over near hard branches”Anderson acceleration often reduces Picard iterations, but its mixed iterate must still be evaluated with the original residual . Restart or damp it when divisor or kernel clearance shrinks; accelerated convergence on the wrong logarithm sheet is still wrong.
For the frozen convention above, the Jacobian action is
One matrix-free Jacobian product therefore costs approximately one additional convolution. Newton–Krylov solves
with a line search or trust region that also rejects steps crossing an undeclared logarithmic cut or kernel pole. A dense small- Nyström–Newton solve is a valuable independent comparison.
Preconditioning matters at production sizes. For a translation-invariant system, freeze at a plateau value or current average and invert the resulting small block Fourier symbol mode by mode. For a general Nyström system, use a block-diagonal or coarse-grid Jacobian. Record GMRES iterations alongside the nonlinear residual: their growth is an inexpensive warning that the chosen chart or branch is becoming ill-conditioned.
An inexact Krylov solve may stop when
If the initial iterate is sufficiently close, is nonsingular at the solution, and is Lipschitz nearby, a uniform bound gives local q-linear convergence; gives q-superlinear convergence; and gives q-quadratic convergence. Oversolving the inner linear system wastes work once the continuum discretization floor has been reached.
A residual becomes a bound only after consistency
Section titled “A residual becomes a bound only after consistency”Let restrict a function to the discrete data used by the implementation, let reconstruct those data in the chosen function space, and lift the finite map as
For the reconstructed numerical field , define
First pass a categorical gate: equation normalization, logarithm sheets, contour banks, chamber, and event history must define the intended exact map . A failed gate changes the problem and is not a small additive error. Once it passes, contains tail, quadrature, wrap, reconstruction, controlled contour-displacement, root, and arithmetic defects. A residual evaluated only at collocation nodes is not yet a bound on either function-space norm.
This field-only -certificate treats source positions as fixed. For the augmented excited system , certification requires a stability bound for the full block Jacobian or a separately proved contraction of an augmented map.
Outside a contraction regime, the heuristic Newton correction becomes a certificate only after the inverse and derivative variation are bounded, for example by interval Newton, Newton–Kantorovich, or a radii-polynomial argument.
Iteration stops buying digits when it reaches the consistency floor. Branch, contour, and chamber passports must pass first; they are validity gates, not small errors. The remaining tail, quadrature, nonlinear, root, reconstruction, and arithmetic defects then receive a stability factor. The observable has its own evaluation error.
Excited roots belong to the nonlinear unknown
Section titled “Excited roots belong to the nonlinear unknown”For the sourced equations of Page 5, solve for the field samples and root positions together:
Augment the field residual by
The Newton system has the block form
Here and the root column has the sign
If the roots enter only through , then . The remaining blocks act as
A simple divisor requires . Evaluate off-grid and off-axis quantities with controlled spectral or barycentric interpolation, or directly from the integral representation. Snapping a root to the nearest real grid point changes the quantization problem.
Continuation is predictor–corrector with event detection
Section titled “Continuation is predictor–corrector with event detection”For , where is invertible, a tangent predictor solves the Davidenko equation
Newton then corrects the full system at the new parameter. Near a fold, replace as the continuation coordinate by pseudo-arclength and realify the complex system. Using the normalized previous tangent and real , add the one real equation
Every accepted step should monitor at least
where the active contours exclude already declared divisor indentations. Also track each known zero’s signed normal distance to its contour, source-root separations, branch integers, a Jacobian conditioning indicator, and Page 5’s first kernel-wall functions
If a signed pole-to-contour distance or wall function changes sign, or if or a source-root separation falls below its alarm threshold, return to the last checkpoint and locate the event off-grid.
A grid approximation to is only an event alarm: a zero can lie between grid points or off the real line. Before updating any Page 5 ledger, confirm the crossing by off-grid analytic zero tracking or by comparing argument-principle counts at the two bracketing checkpoints; a sampled minimum alone does not determine its orientation.
A fully converged corrector removes the predictor error only up to the discrete nonlinear tolerance; it does not remove discretization, event-detection, or branch-selection error. Repeat the path with smaller steps and test continuity of a normalization-independent observable.
The symmetric A₂ equation calibrates the real TBA discretization
Section titled “The symmetric A₂ equation calibrates the real TBA discretization”Set in the real minimal system and impose reflection symmetry. The two equations reduce to
As the drive vanishes. With and , the constant equation gives
This golden-ratio plateau checks the kernel normalization, nonlinear logarithm, sign, and left-tail model simultaneously.
The downloadable reference implementation uses an endpoint-weighted trapezoidal rule, integrates the constant left tail analytically, embeds the Toeplitz product in a length- FFT, and compares that product with a dense matrix. On the recorded environment the physical-kernel dense/FFT difference was , the asymmetric lag-order audit differed by , and the fixed-point map converged in 26 iterations.
The following cutoff sweep keeps . The final column compares with the script’s internal , refinement value; it is not an external exact answer.
| Change from internal refinement | |||
|---|---|---|---|
| 6 | 385 | 0.8091575433257463 | |
| 8 | 513 | 0.8091645695094771 | |
| 10 | 641 | 0.8091648363706210 | |
| 12 | 769 | 0.8091648433180046 |
At fixed , refining changes from to . The tiny discrete residuals, about , clearly do not equal the forward changes. Cutoff and mesh refinements reveal errors that the inner iteration cannot see.
A production report separates every control
Section titled “A production report separates every control”Record a run as a refinement tuple such as
where is the FFT embedding length and the working precision. Given an observable tolerance , contraction allocates the approximate field-defect budget
provided . Stop the nonlinear iteration once is safely below the dominant consistency contribution; further inner digits do not improve the target observable.
Vary one component of at a time to identify error sources, then perform at least one combined diagonal refinement. That final run can expose cancellation between, for example, cutoff and mesh errors.
| Error or failure mode | Independent control |
|---|---|
| Equation/passport | Recheck normalization, branches, sources, and chamber |
| Left and right tails | Increase and separately |
| Quadrature | Reduce or increase panel order at fixed domain |
| FFT wrap or lag error | Increase padding and compare a direct convolution |
| Nonlinear solve | Tighten the raw residual without changing the grid |
| Root interpolation | Increase interpolation order and evaluate off-grid |
| Arithmetic and conditioning | Raise precision and estimate |
| Lateral prescription | Vary the bank displacement and extrapolate in its valid chart |
| Observable evaluation | Refine its integral independently of the field solve |
| Spectral root | On a real monotone bracket, divide the residual by a verified lower bound for $ |
Finally test identities not imposed by the solver: evaluate the continuum residual on a shifted or doubled grid, verify the original Y-system inside the safe strip, reconstruct an RH jump on both banks, recover the WKB drive or moment, test node symmetries, and compare the target observable with direct ODE data. Two implementations sharing the same FFT indexing bug are not independent checks.
Common pitfalls
Section titled “Common pitfalls”Calling a small collocation residual an error bound. It controls the finite nonlinear solve. First validate the passport; then bound tail, quadrature, reconstruction, arithmetic, and stability errors.
Claiming spectral convergence across an endpoint jump. Strip analyticity does not repair a discontinuous periodization. Subtract the unequal asymptotics or use a nonperiodic rule.
Using signed kernel mass in a contraction test. Bounds require , especially for complex shifted kernels. Cancellation is not a global Lipschitz certificate.
Exercises
Section titled “Exercises”1. Stabilize the nonlinear logarithm. Prove that for real ,
and find its derivative. Why does the same rewrite need an extra integer for complex ?
Solution
For the maximum vanishes and the identity is immediate. For , factor out :
In both regions,
For complex , factorization remains algebraically valid, but the two logarithms may differ by . Continuation and the declared branch, not the sign of alone, determine .
2. Calibrate the hyperbolic kernel. For
compute its norm and two-sided tail mass. Then solve the constant zero-drive equation
Solution
Since ,
The antiderivative gives
Put . Constancy of the convolution gives
so . Positivity selects
This one number tests the sign, nonlinear function, and kernel normalization.
3. Recover linear convolution with an FFT. Two sampled arrays have length . Explain why a transform length prevents wraparound, and identify the continuum mesh factor.
Solution
Their linear discrete convolution has indices and hence length . A length- DFT computes indices modulo . When , no two linear coefficients are identified. Embed the positive and negative kernel lags in circulant order, zero-pad the weighted data, multiply transforms, and crop the desired entries.
The inverse FFT already contains . The Riemann sum contributes the single additional factor :
Padding fixes discrete wraparound, not the omitted infinite tails.
4. Choose a mesh from strip clearance. Suppose
Find a sufficient condition on for . Interpret the limit .
Solution
It is enough that
Therefore
As a kernel pole, source cut, or logarithmic divisor approaches the contour, tends to zero and the required mesh becomes arbitrarily fine. At a genuine crossing the correct response is a contour or coordinate update, not infinite refinement of the obsolete chart.
5. Turn consistency into a forward bound. Let be a contraction with constant , and suppose the passport gate has passed. Assume maps a complete set into itself. A lifted discrete map and continuous candidate satisfy
Bound its distance from the exact fixed point . If an observable is -Lipschitz and its numerical evaluation has defect , also bound its forward error.
Solution
Using ,
Hence
and therefore
The term is the nonlinear-solve defect; must still bound the tail, quadrature, reconstruction, controlled contour-displacement, root, and arithmetic consistency errors. The observable consequently obeys
6. Decide what damping can stabilize. If is an eigenvalue of , find the corresponding eigenvalue of damped Picard iteration. Can positive damping stabilize (a) and (b) ?
Solution
The damped linearized eigenvalue is
For , the condition gives
Thus under-relaxation can stabilize this oscillatory mode. For ,
for every positive . Damping cannot stabilize that growing positive mode, nor does an empirical stable run replace a global norm argument.
7. Linearize an excited root. Let a sourced field equation be written as and impose
Write the Newton blocks and state the simple-root condition.
Solution
The coupled correction obeys
Since , the root column is
If the root enters only through the oriented source , this becomes . The lower blocks are
The divisor is simple when . A small derivative makes the root ill-conditioned and calls for off-grid analytic evaluation rather than snapping it to a node.
8. Predict the first continuation event. At , suppose
while
Assuming these derivatives remain constant and the same smooth minimizer of remains active, estimate whether the first positive kernel wall or the logarithmic-divisor alarm occurs first.
Solution
The first positive kernel wall is at , so the linear prediction is
The predicted divisor clearance reaches zero after
The kernel event is predicted first. The extrapolated zero of sampled would only be an alarm requiring off-grid confirmation. Shorten the step, locate the kernel event, and update the contour-residue ledger. Do not add an excited root merely because another clearance is decreasing, and do not infer a BPS-index change without the separate chamber data.
References
Section titled “References”- L. N. Trefethen and J. A. C. Weideman, “The Exponentially Convergent Trapezoidal Rule”, SIAM Review 56 (2014), 385–458, especially Theorems 3.2 and 5.1. Gives the periodic- and infinite-line strip-analytic error estimates and explains their decay and singularity hypotheses.
- K. E. Atkinson and F. A. Potra, “Projection and Iterated Projection Methods for Nonlinear Integral Equations”, SIAM Journal on Numerical Analysis 24 (1987), 1352–1373. Gives convergence results near isolated solutions for projection and iterated projection discretizations; it is not a theorem for an arbitrary TBA branch.
- D. A. Knoll and D. E. Keyes, “Jacobian-Free Newton–Krylov Methods: A Survey of Approaches and Applications”, Journal of Computational Physics 193 (2004), 357–397. Reviews matrix-free Newton–Krylov methods, globalization, and preconditioning.
- S. C. Eisenstat and H. F. Walker, “Choosing the Forcing Terms in an Inexact Newton Method”, SIAM Journal on Scientific Computing 17 (1996), 16–32. Supplies the forcing-term criteria behind the local convergence claims used here.
- H. F. Walker and P. Ni, “Anderson Acceleration for Fixed-Point Iterations”, SIAM Journal on Numerical Analysis 49 (2011), 1715–1735. Analyzes Anderson acceleration, its quasi-Newton/secant interpretation, and its linear-problem relation to GMRES; it does not make a branch-incorrect fixed point physically valid.
- H. B. Keller, “Numerical Solution of Bifurcation and Nonlinear Eigenvalue Problems,” in P. H. Rabinowitz (ed.), Applications of Bifurcation Theory, Publication of the Mathematics Research Center 38, Academic Press, 1977, 359–384. Develops the pseudo-arclength continuation framework used in the predictor–corrector discussion.
- L. M. Delves and J. N. Lyness, “A Numerical Method for Locating the Zeros of an Analytic Function”, Mathematics of Computation 21 (1967), 543–560. Develops argument-principle contour methods useful for checking complex source roots and collisions.
- P. Dorey and R. Tateo, “Excited States by Analytic Continuation of TBA Equations”, Nuclear Physics B 482 (1996), 639–659, especially §2. Uses damped iteration, small continuation steps, zero tracking, and contour deformation, while explicitly reporting the limitations of the numerical iteration.
- K. Ito, M. Mariño, and H. Shu, “TBA Equations and Resurgent Quantum Mechanics”, Journal of High Energy Physics 2019 (2019), 228, especially §§4–5. Implements Fourier discretizations and independent spectral or WKB checks; its reported high-resolution computations and independent comparisons are strong evidence rather than universal certified bounds.
- D. Gaiotto, G. W. Moore, and A. Neitzke, “Four-Dimensional Wall-Crossing via Three-Dimensional Field Theory”, Communications in Mathematical Physics 299 (2010), 163–224, especially Appendix C. Establishes contraction of successive RH iterates in a sufficiently large- regime under support and growth assumptions; it does not certify an arbitrary floating-point discretization.
- NIST Digital Library of Mathematical Functions, §3.5, “Quadrature”. An official overview of classical quadrature rules, error terms, and practical qualifications.