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Stein's method for marginals on large graphical models

Many spatial models exhibit locality structures that effectively reduce their intrinsic dimensionality, enabling efficient approximation and sampling of high-dimensional distributions. However, existing approximation techniques primarily focus on joint distributions and do not provide precise accuracy control for low-dimensional marginals, which are of primary interest in many practical scenarios. By leveraging the locality structures, we establish a dimension independent uniform error bound for the marginals of approximate distributions. Inspired by the Stein's method, we introduce a novel $δ$-locality condition that quantifies the locality in distributions, and link it to the structural assumptions such as the sparse graphical models. The theoretical guarantee motivates the localization of existing sampling methods, as we illustrate through the localized likelihood-informed subspace method and localized score matching. We show that by leveraging the locality structure, these methods greatly reduce the sample complexity and computational cost via localized and parallel implementations.

stat.ML

Multilevel lattice-based kernel approximation for elliptic PDEs with random coefficients

This paper introduces a multilevel kernel-based approximation method to estimate efficiently solutions to elliptic partial differential equations (PDEs) with periodic random coefficients. Building upon the work of Kaarnioja, Kazashi, Kuo, Nobile, Sloan (Numer. Math., 2022) on kernel interpolation with quasi-Monte Carlo (QMC) lattice point sets, we leverage multilevel techniques to enhance computational efficiency while maintaining a given level of accuracy. In the function space setting with product-type weight parameters, the single-level approximation can achieve an accuracy of $\varepsilon>0$ with cost $\mathcal{O}(\varepsilon^{-η-ν-θ})$ for positive constants $η, ν, θ$ depending on the rates of convergence associated with dimension truncation, kernel approximation, and finite element approximation, respectively. Our multilevel approximation can achieve the same $\varepsilon$ accuracy at a reduced cost $\mathcal{O}(\varepsilon^{-η-\max(ν,θ)})$. Full regularity theory and error analysis are provided, followed by numerical experiments that validate the efficacy of the proposed multilevel approximation in comparison to the single-level approach.

math.NA

Analysis of a finite element method for second order uniformly elliptic PDEs in non-divergence form

We propose one finite element method for both second order linear uniformly elliptic PDE in non-divergence form and the uniformly elliptic Hamilton-Jacobi-Bellman (HJB) equation. For both linear elliptic PDE in non-divergence form and the HJB equation, we prove the well-posedness of strong solution in $W^{2,p}(Ω)$ and optimal convergence in discrete $W^{2,p}$-norm of the finite element approximation to the strong solution for $1<p\leq 2$ on convex polyhedra in $\mathbb{R}^{d}$ ($d=2,3$). If the domain is a two dimensional non-convex polygon, $p$ is valid in a more restricted region. Furthermore, we relax the assumptions on the continuity of coefficients of the HJB equation, which have been widely used in literature.

math.NA

Scalable Pseudospectral Analysis via Low-Rank Approximations of Dynamical Systems

Pseudospectral analysis is fundamental for quantifying the sensitivity and transient behavior of nonnormal matrices, yet its computational cost scales cubically with dimension, rendering it prohibitive for large-scale systems. While existing research on scalable pseudospectral computation has focused on exploiting sparsity structures, common in discretizations of differential operators, these approaches are ill-suited for machine learning and data-driven dynamical systems, where operators are typically dense but approximately low-rank. In this paper, we develop a comprehensive low-rank framework that dramatically reduces this computational burden. Our core theoretical contribution is an exact characterization of the pseudospectrum of arbitrary low-rank matrices, reducing the evaluation of resolvent norms to eigenvalue problems of dimension proportional to the rank. Building on this foundation, we derive rigorous inclusion sets for the pseudospectra of general matrices via truncated and randomized low-rank approximations, with explicit perturbation bounds. These results enable efficient estimators for key stability quantities, including distance to instability and Kreiss constants, at a cost that scales with the effective rank rather than the ambient dimension. We further demonstrate how our framework naturally extends to data-driven settings, providing pseudospectral analysis of transfer operators learned from nonlinear and stochastic dynamical systems. Numerical experiments confirm orders-of-magnitude speedups while preserving accuracy, opening pseudospectral analysis to previously intractable high-dimensional problems in computational PDEs, control theory, and data-driven dynamics.

math.NA

Mamba-Assisted Non-Markovian Closure for Reduced-Order Modeling

Reduced-order modeling of high-dimensional dynamical systems is often hindered by closure effects arising from unresolved variables, which can introduce non-Markovian dependence into the resolved dynamics. Motivated by the history-dependent memory term arising in the Mori--Zwanzig formalism, we recast non-Markovian closure modeling as a sequence modeling problem and propose the Mamba-Assisted Closure (MAC) framework. MAC employs a Mamba-based sequence model to predict the closure from the resolved trajectory and couples the learned closure with the reduced-order governing equations through a numerical integrator to advance the resolved variables in time. During training, the selective scan mechanism in Mamba enables efficient parallel sequence processing with linear scaling in sequence length, while autoregressive inference proceeds through recurrent state updates at essentially constant per-step cost. We evaluate MAC on four benchmark systems with complementary characteristics: the viscous Burgers' equation, the chaotic two-scale Lorenz '96 system, the 3-bus DeMarco--Zheng power-grid system, and the dispersive Korteweg--de Vries equation. Across these benchmarks, MAC consistently improves predictive accuracy and long-time rollout stability relative to the comparison models, demonstrating an effective and computationally scalable approach to non-Markovian closure modeling.

cs.LG

An FFT-Accelerated Boundary Integral Equation Method for Wave Scattering by Smooth Surfaces in Three Dimensions

For wave scattering by axisymmetric surfaces, the fast Fourier transform (FFT) method provides an effective tool to accelerate standard boundary integral equation (BIE) solvers. Surface BIEs can be decoupled into a series of curve integral equations on the generating curve, due to the convolution-like integral operators. The Fourier coefficients of the three-dimensional fundamental kernels can be rapidly computed through three-term recurrence relations based on Miller's algorithm. Such well-established techniques break down for nonaxisymmetric surfaces. This paper proposes a novel FFT-accelerated boundary integral method for wave scattering by smooth surfaces of arbitrary shapes. The Fourier coefficients of the singular kernels now satisfy higher-order recurrence relations. Although they can be solved with an optimal linear complexity by the standard Olver's algorithm, it turns out that a singularity swapping approach that rewrites each kernel as the product of a smooth function and an axisymmetric-related singular factor is realistically much faster. Consequently, Miller's algorithm together with the standard FFT convolution yields an ${\cal O}(M\log M)$ approach for evaluating the ${\cal O}(M)$ Fourier coefficients of the kernels, attaining exactly the same order of complexity for axisymmetric surfaces! With such FFT-based efficient procedures, we rewrite the surface BIEs in terms of ${\cal O}(M)$ curve integrals, which are proved to exhibit logarithmic singularities, discretize them by panel-based generalized Gaussian quadratures, and obtain spectrally accurate linear systems to approximate the wavefields. Extensive numerical experiments are carried out to demonstrate the effectiveness and spectral accuracy of the new approach.

math.NA

Waveguiding in systems of high contrast resonators: Theory and fast computations

In this work, we study guided modes in systems of high-contrast resonators near nonzero interior Neumann frequencies, beyond the subwavelength regime. In the regular exterior regime, where the exterior Dirichlet problem is well-posed at the reference wavenumber, we introduce an infinite-dimensional frequency-dependent capacitance operator obtained by compressing the exterior Helmholtz Dirichlet-to-Neumann map to the traces of the interior resonant Neumann eigenspaces. We prove the norm-resolvent convergence of the continuous problem to this discrete effective operator as the contrast $δ\to0$, and derive first-order asymptotic formulas for compact-defect frequencies and line-defect band functions. We then establish exponential off-diagonal decay of the capacitance coefficients by a Combes--Thomas argument, yielding an exponentially accurate truncation of the discrete operator, and show that its retained coefficients can be computed from local Helmholtz problems. At the physical frequency, this local approximation converges exponentially under a uniform stability assumption for the growing finite-cluster problems. The stability assumption can be removed by introducing a vanishing complex absorption together with a Hermitian symmetrization. In particular, an absorption parameter of order $\sqrtδ$, together with interaction truncation and patch radii of order $|\logδ|$, suffices to preserve the $O(δ^2)$ accuracy of the first-order high-contrast expansion of the defect eigenfrequencies, yielding a fast computational method. Numerical experiments for dipole and quadrupole resonances illustrate the accuracy, exponential locality, and applicability of the discrete model to straight and bent waveguides generated by material or geometric detuning.

math.NA

Structure-Preserving Detailed-Balance Master-Equation Discretizations for Fokker--Planck Equations

We develop a variational--Markov construction of detailed-balance master-equation discretizations for Fokker--Planck equations directly from their energy--dissipation laws. Rather than discretizing the differential operator, we represent mass transfer between neighboring grid points by two directional jump rates. On each edge, the discrete energy--dissipation law determines the net flux, while detailed balance fixes the rate ratio; a local reconstruction of edge quantities from neighboring grid-point values then uniquely determines both rates. A logarithmic-mean reconstruction recovers the classical Scharfetter--Gummel/Wang--Peskin--Elston rates, while alternative reconstructions yield other reversible schemes. The resulting semi-discrete systems conserve mass, preserve nonnegativity, satisfy detailed balance, and dissipate a discrete free energy. The same edgewise construction extends to state-dependent and degenerate mobilities, nonlocal interaction energies and higher-dimensional problems. The corresponding implicit and semi-implicit fully discrete schemes are linear, mass-conservative, positivity-preserving, and energy-stable, with a time-step restriction required only for nonlocal interaction energies whose kernel is not negative semidefinite. Numerical experiments confirm the expected spatial convergence rates of all detailed-balance schemes and verify their equilibrium accuracy, positivity preservation, and free-energy decay with discontinuous potentials, saturation, nonlocal interactions, and two-dimensional problems.

math.NA

Spectra of Non-Self-Adjoint Almost Mathieu Matrices and the Scottish Flag Operator

For $N\geq 3$ and a potential phase $\vartheta\in\mathbb{R}$, we study the non-self-adjoint almost Mathieu matrix obtained by multiplying the discrete Laplacian by a complex phase with angle $φ\in\mathbb{R}$, $A_N(φ,\vartheta)=e^{iφ}(S+S^{-1})/2+\operatorname{diag}(\cos(2πj/N+\vartheta))_{j\in\mathbb{Z}/N\mathbb{Z}}$, where $S e_j=e_{j+1}$ is the periodic shift on $\mathbb{C}^N$. We derive a Chambers formula and isolate the part $Q_{N,φ}$ of the characteristic polynomial that depends only on $N$ and $φ$, but not on $\vartheta$ or on a change of boundary conditions for the shift operator. We then show, for every $N$, that the zeros of $Q_{N,φ}$ lie on the two perpendicular lines $e^{iφ/2}\mathbb{R}\cup e^{i(φ/2+π/2)}\mathbb{R}$. For even $N$, the same property holds for the matrices $A_N(φ,\vartheta)$ with $\vartheta\in 2π\mathbb{Z}/N$, and we compute their limiting eigenvalue measure explicitly. For $φ\in[-π,π]$, the eigenvalue distribution approximates elliptic-integral densities with masses $1-|φ|/π$ and $|φ|/π$, and maximal radii $2|\cos(φ/2)|$ and $2|\sin(φ/2)|$, respectively. At $φ=π/2$, the central polynomial $Q_{N,φ}$ factors into positive quartic factors. This proves that the Scottish flag matrix, after Trefethen and Chapman, has its spectrum on the two diagonal lines of the saltire.

math.SP

Checkerboard Shells: A Position-Only Thin-Shell Discretization with Scale-Compatible Completion

Checkerboard edge-midpoint geometry provides an exact planar Varignon parallelogram for every spatial quadrilateral, allowing a local tangent frame and normal to be recovered directly from nodal positions even when the raw quadrilateral is warped. Building on this property, we develop a position-only thin-shell discretization with no independent director, rotation, or strain variables. The connected edge-midpoint surface is taken as the physical midsurface: the first fundamental form is evaluated on planar B faces, while a W-centered second fundamental form is constructed from variations of neighboring B-face normals, so membrane and bending share the same geometric carrier. A variational-kernel analysis shows that smooth second-order consistency does not eliminate lattice-scale blind modes. After quotienting out the raw checkerboard gauge, the B metric has one physical membrane blind direction and the symmetric W curvature has two curvature blind directions. We introduce a quotient-minimal membrane compatibility coordinate $X_M$ and an objective reference-relative curvature coordinate $X_W^{rel}$, placed consistently in the $O(t)$ membrane and $O(t^3)$ bending sectors. The formulation admits an explicit midpoint quotient, complete flat blind-mode classification, rigid-motion objectivity, reference-state consistency, and an $O(h^2)$ near-isometry approximation result for aligned generalized cylinders. Numerical tests show second-order curvature convergence, targeted removal of the membrane defect, and a sub-percent, refinement-decaying influence of $X_W^{rel}$. Linear and nonlinear shell benchmarks further demonstrate flat bending, curved-shell membrane-bending coupling, thickness sensitivity, large rotation, nonlinear pinching, and localized ovalization within a single position-only framework.

math.NA

Mesh-Uniform Power Stability of Two-Relaxation-Time Vector Lattice Boltzmann Schemes with Reversible Boundaries

We consider the collision-transport operator for vector-valued two-relaxation-time lattice Boltzmann schemes linearized about a uniform rest state. Assume that the equilibrium blocks are positive definite and that the link-even and link-odd relaxation parameters satisfy s_+ + s_- = 2 and 0 < s_- < 2. If the homogeneous transport is unitary in the equilibrium metric and reversible under velocity exchange, then the powers of the amplification operator are bounded uniformly with respect to the number and arrangement of lattice nodes. The admissible transports include periodic transport, vector halfway bounce-back, coordinate-aligned specular reflection, tangential orthogonal involutions, and compatible multi-channel scattering. The proof reduces the population equation to a two-step macroscopic recurrence generated by a contraction. An inclusion of the numerical range in an ellipse, combined with the Crouzeix-Palencia theorem, yields a dimension-independent estimate for the companion operator and hence the population bound. For a three-coefficient off-midpoint boundary interpolation, we give an exact rational D2N5 example whose finite-domain amplification matrix has a real eigenvalue larger than one, although the interpolation coefficients and bulk parameters are admissible. Thus coefficient convexity alone does not ensure stability for this boundary family.

math.NA

Parameter-Robust Subspace Correction with Multiple Semidefinite Penalties

Independently weighted semidefinite penalties arise in augmented-Lagrangian and constrained formulations. This paper characterizes when an exact additive subspace-correction preconditioner remains uniformly effective over all nonnegative penalty weights on a fixed finite-dimensional space. Robustness holds precisely when the correction spaces decompose every joint kernel generated by a nonempty subset of penalties. If one condition fails, a computable constant determines the exact first-order decay of the smallest preconditioned eigenvalue along the associated parameter ray, and the condition number grows linearly; none of the subset conditions can be discarded in general. Filtered decompositions provide computable sufficient bounds on parameter-ordering cones, while distributive kernel lattices permit a single common splitting. Exact-additive computations confirm the characterization and predicted rates. Separate Scott-Vogelius experiments produce stable multilevel iteration counts over the tested weights and mesh levels. The analysis does not establish mesh-uniformity.

math.NA

The specular ellipse method for scalar ordinary differential equations: exactness and accuracy up to fourth order

This paper introduces a family of one-step implicit methods for solving scalar ordinary differential equations. At each step, the update uses a scaled angular mean of two vector-field evaluations, and the positive scale may vary from step to step. The leading terms of the local truncation error can be expressed in terms of the derivative of the signed curvature of the scaled solution graph. We prove that the proposed method reproduces the exact solution at the mesh points when the solution graph has constant signed curvature under a fixed positive scaling and each implicit update is unique. When this special geometric condition is not satisfied, we establish second-order consistency and convergence for positive scale sequences satisfying suitable uniform conditions. Furthermore, third- and fourth-order consistency and convergence can be achieved by choosing the scale to cancel the relevant curvature terms in the local truncation error. Using only the given problem data, we classify when these improvements are possible and determine the corresponding scale choices. An example shows that the proposed fourth-order method can yield smaller errors than the classical fourth-order Runge--Kutta method at the same step size.

math.NA

From multi-layered problems to multiple two-layered problems: a novel frequency-time hybrid multiple-scattering integral equation solver

This paper proposes a novel frequency-time hybrid multiple scattering (FTH-MS) integral equation solver for time-dependent wave equation problems in general multi-layered media, with remarkable scalability with respect to the number of layers $N$. In light of the finite speed of wave propagation, the new methodology provides an innovative multiple-scattering idea of re-modeling the original $N$-layered problem into a sequence of $N-1$ two-layered sub-problems, for which the main advantages lie in that (i) each sub-problem enjoys much simpler wave scattering properties compared with the complicated problem in a multi-layered medium, (ii) it enables to develop high-accuracy solver utilizing Fourier transform and frequency-domain boundary integral equation (BIE) method; and (iii) numerical evaluation of the sub-problems in each multiple scattering step can be parallelized. Both multiplicative- and additive-type strategies are developed and equivalence results, which indicate that the $M$-th order multiple scattering sums can provide equivalent representations of the solutions up to a certain time $T(M)$, are rigorously derived. Owing to the existed result of exponential convergence of the perfectly-matched-layer (PML) truncation for two-layered problem, all the sub-problems is numerically resolved by means of the FTH method based on the Fourier transform and the PML-BIE method whose numerical evaluation is addressed utilizing the Chebyshev-based rectangular-polar solver with high accuracy. Numerical examples are presented to validate the efficiency and accuracy of the proposed method.

math.NA

Feasible approximation of matching equilibria for large-scale matching for teams problems

We propose a numerical algorithm for computing feasible and approximately optimal solutions of the matching for teams problem. Specifically, we introduce the notion of approximate matching equilibrium as a feasible approximation of a matching equilibrium with relaxed rationality, and we show that a true equilibrium is recovered in the limit of a sequence of approximate matching equilibria with sub-optimality approaching 0. In our approximation scheme, we parametrize the so-called transfer functions, and we show that tackling the resulting parametric primal and dual optimization problems yields two approximate matching equilibria as well as provable and computable lower and upper bounds for the optimal social welfare. Under a flexible Euclidean setting, we show that the approximation error of our scheme can be controlled to be arbitrarily close to 0, we derive an explicit computational complexity bound, and we develop an algorithm for computing approximate matching equilibria that is efficient for large-scale problems involving a large number of agent populations. We study three problems in our numerical experiments: a retail business problem, the Wasserstein barycenter problem, and a large-scale problem involving up to 1000 agent populations. We show that the proposed algorithm can produce nearly optimal approximate matching equilibria to provide quantitative managerial insights for policymakers, and that the computed sub-optimality estimates are much less conservative than theoretical estimates.

math.OC

Higher Order Multidimensional Slope Limiters with Local Maximum Principles

Higher-order numerical methods are used to find accurate numerical solutions to hyperbolic partial differential equations. Limiting is required to either converge to the correct type of solution or to adhere to physically motivated local maximum principles and less restrictive limiting procedures are required so as to not severely decrease the accuracy. In this paper, we adapt the existing slope limiter framework introduced in [Zhang \& Shu, J. Comput. Phys., 229(9):3091-3120, 2010] to achieve distinct local boundedness principles. We conclude that quadrature points contributing to numerical fluxes on either side of a face can be limited based on shared face-defined maximum principles and the resulting cell mean at the next timestep satisfies a cell mean maximum principle. Furthermore additional points arising in a decomposition of a cell mean must be limited locally when going beyond piecewise linear reconstructions. This allows the design of new multidimensional limiters which at second order can attain the same cell mean maximum principle as existing slope limiters, but allows more of the higher order flux to be used, generalises beyond second order schemes and can be modified for user specified local maximum principles.

math.NA

Parameter optimization for restarted mixed precision iterative sparse solver

The problem of optimal precision switching for the conjugate gradient (CG) method applied to sparse linear systems is considered. A sparse matrix is defined as an $n\!\times\!n$ matrix with $m\!=\!O(n)$ nonzero entries. The algorithm first computes an approximate solution in single precision with tolerance $\varepsilon_1$, then switches to double precision to refine the solution to the required stopping tolerance $\varepsilon_2$. Based on estimates of system matrix parameters -- computed in time which does not exceed $1\%$ of the time needed to solve the system in double precision -- we determine the optimal value of $\varepsilon_1$ that minimizes total computation time. This value is obtained by classifying the matrix using the $k$-nearest neighbors method on a small precomputed sample. Classification relies on a feature vector comprising: the matrix size $n$, the number of nonzeros $m$, the pseudo-diameter of the matrix sparsity graph, and the average rate of residual norm decay during the early CG iterations in single precision. We show that, in addition to the matrix condition number, the diameter of the sparsity graph influences the growth of rounding errors during iterative computations. The proposed algorithm reduces the computational complexity of the CG -- expressed in equivalent double-precision iterations -- by more than $17\%$ on average across the considered matrix types in a sequential setting. The resulting speedup is at most $1.5\%$ worse than that achieved with the optimal (oracle) choice of $\varepsilon_1$. While the impact of matrix structure on Krylov subspace method convergence is well understood, the use of the sparsity graph diameter as a predictive feature for rounding error growth in mixed-precision CG appears to be novel. To the best of our knowledge, no prior work employs graph diameter to guide precision switching in iterative linear solvers.

math.NA

Structural Packing and Dyadic Factorization of Sparse Positive Definite Matrices

Efficient inversion of large sparse positive definite matrices requires exploiting sparsity patterns beyond those captured by conventional bandwidth reduction. In this work, we recast nested dissection, a prominent alternative, as a two-stage framework. The matrix was first packed into block-tridiagonal or dyadic form, followed by sparse Gram-Schmidt orthogonalization. This decomposition provided a unified perspective on sparse matrix factorization and inversion and identified dyadic structure as a fundamental component of sparse Cholesky factorization. For the first stage, we introduced a packing algorithm that recovered block-tridiagonal and dyadic patterns using a novel $\ell_1$ criterion. Using approximate distances obtained through classical multidimensional scaling, the method was effective when the target structure was sufficiently represented among the nonzero entries. Iterative application could also remove structural noise and reveal hidden dyadic organization, corresponding to separator identification in nested dissection. For the second stage, we developed the theory of dyadically structured matrices. We derived sparse factorization and inversion procedures, analyzed their computational complexity, and obtained an efficient inversion algorithm. A modified version reduced the cost of inverting block-tridiagonal matrices, demonstrating the benefit of exploiting their structure directly rather than treating them as generic band matrices.

math.NA