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Oct 16

The pseudospectrum for gravitational perturbations in Kerr spacetimes

We study the pseudospectrum of the Kerr black hole for gravitational perturbations with spin weight s=2, the case of greatest interest in gravitational-wave astronomy. In the hyperboloidal framework with two-dimensional Chebyshev collocation, we formulate the quasinormal mode problem as a non-self-adjoint eigenvalue problem. For sneq0 the fields Ψ^{(s)} and Ψ^{(-s)} are independent, so the conserved current method yields no single-field energy norm. We overcome this with the Teukolsky--Starobinsky identities, which relate Ψ^{(-2)} to a fourth-order operator on Ψ^{(2)} and yield an H^2 energy norm after symmetrization. With the H^1 norm known for s=0, this suggests the pattern H^{|s|}, verified for s=0 and s=2. All results use an ω-independent two-field hierarchy. We find that the pseudospectrum tightens by 1.1 to 3.5 decades at each step of L^2to H^1to H^2, yet stays large in every norm. The s=+2 and s=-2 operators are isospectral but not isopseudospectral: at twelve of fourteen probes the ψ_0 resolvent exceeds the ψ_4 one by 0.19 to 0.82 decades in the H^2 norm, while at the two probes furthest along the QNM line the ordering reverses by 0.18 to 0.19 decades. The gravitational pseudospectrum exceeds the scalar one by 0.5 to 5.2 decades in the window minimum and by 5.9 decades in L^2 at ωM=0.47-0.17,i, while along the damping direction the s=2 resolvent is non-monotonic and the s=0 resolvent smooth. QNM spectral instability is therefore a universal feature of Kerr, and is stronger for gravitational perturbations.

  • 3 authors
·
Oct 2

A Numerical Realization of Suzuki's Weil-Quadratic-Form Operator: The Archimedean Spectral Law, its Universality, and an Operator Form of Weil's Positivity Criterion

This paper presents the first numerical realization of Suzuki's Weil-Quadratic-Form operator, a candidate for the Hilbert--Pólya program linking spectral positivity to the Riemann Hypothesis (RH). Suzuki's 2026 construction was purely theoretical; here, the operator is instantiated via P1 finite-element discretization and Richardson extrapolation. Key results include: (R1) In the prime-free regime, the spectrum follows a closed Archimedean law A_k(a) = log(1/a) + log(k-2) + B_0 + O(a), with B_0 = log q - 2log 2, confirmed to 30-digit precision. (R2) A Mellin double-pole argument proves the head coefficient B(ν) and shows B_0 depends only on the conductor q, independent of the Archimedean parameter. (R2b) The degree d of an L-function appears directly as the logarithmic slope of the spectrum. (R3) Total spectral intensity follows the prime number theorem, S(a) sim (2a)^3/6. (R4) Nontrivial zeros are not eigenvalues but occur in the explicit-formula error term of the prime symbol. (R5) The best-match line σ^*(a) descends toward the critical line. (R6) Weil's positivity criterion is realized in operator form: bounded residual growth corresponds to all zeros on the line, while an injected off-line zero causes exponential blow-up. (R7) The lowest eigenvalue λ_1(a) is strictly positive, decays superexponentially, and passes smoothly through the first prime threshold. (R8) The characteristic function W(a,0;z) is computed for the first time, with all zeros confirmed real. (R9) Indirect traces of GUE statistics appear in the moment structure, even where direct detection is blocked. The authors emphasize that this work does not prove RH. All results are Archimedean and universal, with significance lying in the faithful numerical realization of classical identities rather than new arithmetic.

  • 7 authors
·
Jul 22

The circular law for random band matrices: improved bandwidth for general models

We consider the convergence of the ESD for non-Hermitian random band matrices with independent entries to the circular law, which is the uniform measure on the unit disk in the center of the complex plane. We assume that the bandwidth of the matrix scales like n^γ for some γin(0,1], where n is the matrix size, and the variance profile of the matrix is only assumed to be doubly stochastic with no additional assumption on its specific mixing properties. We prove that the circular law limit holds either (1) when γ>5{6} and the entries are independent Gaussians, (2) or when γ>8{9} and the entries are independent subgaussian random variables. This new threshold improves the previous threshold γ>32{33} which was only proven for block band matrices and periodic band matrices. After the initial version of this paper, the author further extended the range of circular law for much smaller values of γ in 2508.18143 and 2511.01744 when the variance profile has specific mixing properties, but not for an arbitrary doubly stochastic variance profile. Thus the main contribution of this paper is the circular law for a genuine power law bandwidth for any doubly stochastic variance profile. We also prove an extended form of product circular law with a growing number of matrices. Weak delocalization estimates on eigenvectors are also derived. The new technical input is new polynomial lower bounds on some intermediate small singular values, and this estimate does not depend on the specific structure of the variance profile beyond the fact that it is doubly stochastic.

  • 1 authors
·
Oct 21, 2024

Structure-Preserving Spectral Dynamic Programming on Compact Lie Groups

We study spectral approximations of the dynamic programming semigroup for finite-horizon optimal control on a connected compact Lie group G, and of the associated first-order Hamilton-Jacobi-Bellman equation. The Bellman operator is monotone and non-expansive in the supremum norm, while the Peter-Weyl decomposition of L^{2}(G), on which every Fourier method on G rests, is orthogonal, and the mismatch is quantitative. The natural sup-norm error recursion of the Galerkin iteration is amplified at every step by the Lebesgue constant of the spectral projection, which grows logarithmically on S^{1} and polynomially on compact Lie groups of rank one, including SO(3), and in computation the iteration violates elementary bounds within a few steps. We restore the dynamic programming structure at the discrete level by replacing the orthogonal projection with spectral filters of Markov type. An auxiliary heat-kernel/vanishing-viscosity scheme yields qualitative sup-norm convergence for Lipschitz data. The main result is a Fejér-type filter on G, finite-rank, positivity preserving and non-expansive, together with a convergence theorem at the rate O(sqrtδ+ε+1/(δN^2)) for Lipschitz data, where δ is the time step, N the spectral resolution and ε the viscosity. The viscosity may be zero, and the coupling δ=N^{-1} then gives the rate N^{-1/2}. The proof interprets the filter as a small random perturbation of the controlled dynamics, requires neither a priori regularity of the value function nor a consistency argument in the viscosity sense for the filtering step, and extends to a fully discrete realization based on positive cubature, with exact Wigner transport on SO(3). Numerical experiments confirm the predicted rates and filter bias and quantify the frame dependence of two chart-based baselines.

  • 2 authors
·
Jul 22

Uniformly Stable Minimal Weyl--Heisenberg Measurements Approaching the SIC Benchmark

Informational completeness (IC) guarantees that an inverse exists, not that it is statistically well conditioned. For minimal rank-one Weyl--Heisenberg (WH) measurements, covariance makes the nonidentity projector-Gram spectrum proportional to the fiducial's ambiguity intensities, with eigenvalues \(d|χ_ϕ(u)|^2\), turning stability into an explicit worst-direction design problem; write \(λ\) for its smallest nonidentity eigenvalue. Haar fiducials are IC almost surely while \(\mathbb E[λ^{-1}]=\infty\), and an explicit geometric family used to establish balanced informationally complete measurements in every dimension has a normalized spectral floor bounded above by an exponentially decaying envelope. We then construct a hierarchy of minimal measurements. A cyclic family with exactly \(d^2\) outcomes in every integer dimension has floors \(Θ(d^{-3})\) for odd \(d\) and \(Θ(d^{-5})\) for even \(d\); a finite-field family for \(q=2^m\) obeys the uniform bound \(λ\ge4/9\). Our main result treats every prime-power dimension of characteristic \(p\ge5\). A balanced one-coordinate perturbation repairs the zero ambiguity axis of a cubic Alltop state, gives an attained floor uniformly bounded below by a positive constant, and confines the entire nonidentity spectrum to \([L_q,U_q]\) with \(U_q/L_q\to1\). Its SIC-normalized minimum tends to one, and \(λ(ϕ_q)/Λ_q^\star\to1\) for the global finite-field WH max--min optimum \(Λ_q^\star\), without assuming SIC existence. The complete spectrum determines the exact finite-sample Hilbert--Schmidt error of canonical linear inversion at \(I/d\), while its lower edge controls local Fisher efficiency and canonical-shadow bounds.

  • 2 authors
·
Aug 11

Row-Stochastic Matrices Can Provably Outperform Doubly Stochastic Matrices in Decentralized Learning

Decentralized learning often involves a weighted global loss with heterogeneous node weights λ. We revisit two natural strategies for incorporating these weights: (i) embedding them into the local losses to retain a uniform weight (and thus a doubly stochastic matrix), and (ii) keeping the original losses while employing a λ-induced row-stochastic matrix. Although prior work shows that both strategies target the same λ-weighted global loss, it remains unclear whether the Euclidean-space guarantees are tight and what fundamentally differentiates their behaviors. To clarify this, we develop a weighted Hilbert-space framework L^2(λ;R^d) and obtain convergence rates that are strictly tighter than those from standard Euclidean analysis. In this geometry, the row-stochastic matrix becomes self-adjoint whereas the doubly stochastic one does not, creating additional penalty terms that amplify consensus error, thereby slowing convergence. Consequently, the difference in convergence arises not only from spectral gaps but also from these penalty terms. We then derive sufficient conditions under which the row-stochastic design converges faster even with a smaller spectral gap. Finally, by using a Rayleigh-quotient and Loewner-order eigenvalue comparison, we further obtain topology conditions that guarantee this advantage and yield practical topology-design guidelines.

  • 5 authors
·
May 28

A Recursive Representation of Compatibility Matrices for Transported Differential Operators

We develop a recursive algebraic framework for the compatibility matrices arising in moving-boundary problems for the heat equation. Such matrices naturally appear in the analysis of boundary trace operators, including Dirichlet-to-Neumann maps and first-passage problems for Brownian motion. The construction is based on two recursive hierarchies: transported differential operators in the interior and boundary operators generated by successive differentiation of the boundary condition. Their interaction produces a recursive family of compatibility matrices whose size grows linearly with the order of the transported operator. The main contribution of the paper is a decomposition of every compatibility matrix into a universal reference matrix and a sequence of transport perturbations. This representation isolates the boundary geometry from the recursive transport corrections and shows that only the transport rows change at each recursive level. Consequently, the determinant of the compatibility matrix may be interpreted as the determinant of a reference matrix together with successive low-rank perturbations. The recursive construction is illustrated through explicit examples, which suggest additional algebraic structure in the reference determinants. The resulting recursive representation provides a systematic organization of compatibility matrices and establishes an algebraic foundation for future investigations of recursive determinant formulas, boundary trace operators, and Dirichlet-to-Neumann maps for moving-boundary problems.

  • 1 authors
·
Aug 10

Numerical Construction of Quasi-Periodic Solutions for Nonlinear PDEs: I. Bounded Perturbation

In this paper, we propose an alternating numerical scheme for constructing quasi-periodic solutions to a class of nonlinear partial differential equations (PDEs) with bounded perturbations, including the one-dimensional nonlinear Schrödinger (NLS) equations and nonlinear wave (NLW) equations under periodic and Dirichlet boundary conditions. A key observation concerning the resonant Q-equations allows us to establish directly a local diffeomorphism between the amplitudes and the drifted frequencies. This renders the proof considerably cleaner, since it avoids the Birkhoff normal form and the associated coordinate transformations required in classical KAM theory for PDEs.Unlike in the finite-dimensional setting, the lattice boxes must also include the spatial index, so that the multiscale induction has to be carried out in one additional dimension. This introduces two difficulties. First, the measure estimate for the excluded set of ``bad'' frequencies must account for the spatial index. For both the NLS and NLW equations, the linear frequencies and their differences are integers or close to integers; this allows the spatial dependence to be controlled through the modulus of the temporal index, so that the excluded measure remains under control. Second, a singular set may contain sites with the same temporal index but widely separated spatial indices, which obstructs the ``inversion implies localization'' process. For the one-dimensional NLS and NLW equations, however, such sites occur only in pairs with opposite spatial indices. They can therefore be separated by small boxes, after which the global inverse is obtained from the local inverses via the resolvent identity. Numerical experiments illustrate the scheme for nonlinear traveling and standing waves, exhibiting both the computed quasi-periodic solutions and the convergence of the iteration.

  • 2 authors
·
Oct 4

Singular Contour Dynamics and Paradifferential Reduction

We develop a direct paradifferential approach to nonlinear graph integral operators arising in contour dynamics. The main methodological result is an abstract structure-preserving paralinearization theorem, valid in arbitrary dimension, for a class of homogeneous kernels whose nonlinear dependence on the graph is expressed through normalized finite differences. The theorem covers both critical principal-value kernels and subcritical locally integrable kernels, gives explicit formulas for the principal symbols, and separates the finite-order symbolic contribution generated by the homogeneous singularity from order-zero far-field terms and arbitrarily smoothing remainders. A structural feature of the reduction is the cancellation of the intermediate symbolic order; at the critical endpoint the construction also preserves the exact skew-adjoint structure of the original singular integral. As a main application, we consider the three-dimensional two-phase free-boundary Euler equations with constant interfacial background vorticity. We first derive an autonomous contour-dynamics equation in canonical surface variables and then apply the abstract theorem directly to the singular integral operators generated by the Birkhoff--Rott formulation. This yields the complete paradifferential structure of the system without taking the Dirichlet--Neumann reduction as a starting point. After introducing an Alinhac good unknown and diagonalizing the resulting system, we obtain local well-posedness for small Sobolev perturbations in the stable Kelvin--Rayleigh--Taylor regime, uniformly on compact subsets of the stable parameter set.

  • 3 authors
·
Oct 1

Robustifying State-space Models for Long Sequences via Approximate Diagonalization

State-space models (SSMs) have recently emerged as a framework for learning long-range sequence tasks. An example is the structured state-space sequence (S4) layer, which uses the diagonal-plus-low-rank structure of the HiPPO initialization framework. However, the complicated structure of the S4 layer poses challenges; and, in an effort to address these challenges, models such as S4D and S5 have considered a purely diagonal structure. This choice simplifies the implementation, improves computational efficiency, and allows channel communication. However, diagonalizing the HiPPO framework is itself an ill-posed problem. In this paper, we propose a general solution for this and related ill-posed diagonalization problems in machine learning. We introduce a generic, backward-stable "perturb-then-diagonalize" (PTD) methodology, which is based on the pseudospectral theory of non-normal operators, and which may be interpreted as the approximate diagonalization of the non-normal matrices defining SSMs. Based on this, we introduce the S4-PTD and S5-PTD models. Through theoretical analysis of the transfer functions of different initialization schemes, we demonstrate that the S4-PTD/S5-PTD initialization strongly converges to the HiPPO framework, while the S4D/S5 initialization only achieves weak convergences. As a result, our new models show resilience to Fourier-mode noise-perturbed inputs, a crucial property not achieved by the S4D/S5 models. In addition to improved robustness, our S5-PTD model averages 87.6% accuracy on the Long-Range Arena benchmark, demonstrating that the PTD methodology helps to improve the accuracy of deep learning models.

  • 5 authors
·
Oct 2, 2023

Real vs. Complex Spectral Bases for Neural Operators: The Role of Green's Function Alignment

Fourier Neural Operators (FNO) learn solution operators of partial differential equations by parameterizing global convolutions in the complex Fourier domain. For real-valued PDE solutions, the complex FFT carries representational redundancy through conjugate symmetry. We introduce the Hartley Neural Operator (HNO), the exact real-valued mirror of FNO: it replaces the FFT with the purely real Discrete Hartley Transform and learns a single real multiplier per retained spectral mode, with no complex arithmetic. Because the real Hartley spectrum is not halved by conjugate symmetry, HNO retains twice as many frequency corners as FNO but one real weight where FNO carries a complex pair, so the two operators are iso-parametric at equal width and differ only in spectral basis. Our central thesis is that the best basis is a property of the operator. Self-adjoint elliptic operators (Poisson, biharmonic) have real, symmetric Green's functions that the real Hartley multiplier diagonalizes exactly, and HNO is favored there. Time-dependent operators carry phase, from oscillation in the wave equation to transport in advection, Burgers, and Navier-Stokes, which a real diagonal multiplier cannot represent, so FNO is favored there, and increasingly so with the operator's phase content, leaving the phaseless heat equation as the borderline case. Training both operators identically and benchmarking across PDE classes, initial-condition families, and boundary conditions, we find an elliptic-versus-time-dependent split that is monotone in operator phase content and matches the Green's-function theory we develop. Rather than a universal winner, our findings give a predictive rule: match the spectral basis to the symmetry of the solution operator.

  • 2 authors
·
Jun 22

Approximating the Top Eigenvector in Random Order Streams

When rows of an n times d matrix A are given in a stream, we study algorithms for approximating the top eigenvector of the matrix {A}^TA (equivalently, the top right singular vector of A). We consider worst case inputs A but assume that the rows are presented to the streaming algorithm in a uniformly random order. We show that when the gap parameter R = σ_1(A)^2/σ_2(A)^2 = Ω(1), then there is a randomized algorithm that uses O(h cdot d cdot polylog(d)) bits of space and outputs a unit vector v that has a correlation 1 - O(1/R) with the top eigenvector v_1. Here h denotes the number of heavy rows in the matrix, defined as the rows with Euclidean norm at least |{A}|_F/d cdot operatorname{polylog(d)}. We also provide a lower bound showing that any algorithm using O(hd/R) bits of space can obtain at most 1 - Ω(1/R^2) correlation with the top eigenvector. Thus, parameterizing the space complexity in terms of the number of heavy rows is necessary for high accuracy solutions. Our results improve upon the R = Ω(log n cdot log d) requirement in a recent work of Price and Xun (FOCS 2024). We note that the algorithm of Price and Xun works for arbitrary order streams whereas our algorithm requires a stronger assumption that the rows are presented in a uniformly random order. We additionally show that the gap requirements in their analysis can be brought down to R = Ω(log^2 d) for arbitrary order streams and R = Ω(log d) for random order streams. The requirement of R = Ω(log d) for random order streams is nearly tight for their analysis as we obtain a simple instance with R = Ω(log d/loglog d) for which their algorithm, with any fixed learning rate, cannot output a vector approximating the top eigenvector v_1.

  • 2 authors
·
Dec 16, 2024

Hierarchical Melnikov Realization: Logarithmic Factor Improvement to Hilbert Number Lower Bounds

The second part of Hilbert's 16th problem is one of the most fundamental open problems in the qualitative theory of ordinary differential equations and dynamical systems. A central unresolved question is whether the Hilbert number H(d) is finite for arbitrary polynomial degree d. (A very recent manuscript from OpenAI asserts the finiteness of H(d); see the remark at the end of this paper.) In the absence of a general upper bound theory, most existing work constructs explicit perturbed polynomial systems to obtain improved lower bounds for H(d), while rigorous upper bound estimates remain largely unavailable. This paper focuses on improving the quantitative lower bound for polynomial systems through a systematic Hierarchical Melnikov Realization framework. We construct perturbed dynamics based on an anisotropic Chebyshev Hamiltonian, where hierarchically selected perturbation coefficients generate simple zeros of the first-order Melnikov function simultaneously across multiple disjoint period annuli. Two distinct 3-adic filtrations supply the necessary logarithmic correction factors, and a Borel--Gauss analysis establishes the required local rank condition under sufficiently strong anisotropy. As the main result of this work, we prove that H(d)=Ωbigl(d^2ln^2 dbigr), which improves the previously known lower bound by a factor of ln d. The full construction of limit cycles and the resulting dynamical bounds are formally certified using Lean 4 formal verification.

  • 2 authors
·
Oct 7

A Finite Element Method for the Grad--Mercier Equation

We develop and analyse a conforming piecewise affine finite element method for the Grad--Mercier equation, a nonlocal elliptic model for magnetic equilibria whose source depends on the global rank of a flux function. The principal difficulty is that the unique continuum equilibrium has a maximum plateau of prescribed positive area. The solution therefore samples the rank law only above the plateau mass, while perturbations that separate equal values may distribute this mass over several numerical ranks and thereby alter the non-strict rank source. We exploit the continuum well-posedness structure to replace the rank law by an equivalent clipped, nonnegative law, and replace Lebesgue measure by a mass-lumped nodal measure. Equal nodal values are assigned a common rank interval, thereby retaining the full lumped mass of each tied level. The resulting weighted rearrangement gives a strictly convex discrete energy and hence a unique finite element equilibrium. On meshes satisfying a discrete comparison principle, the discrete equilibrium is nonnegative and bounded above by a computable barrier. A Poisson-preconditioned rearrangement iteration converges on each fixed mesh and admits computable a posteriori energy and energy-norm bounds. As polygonal finite element domains converge to the physical cross-section, the discrete equilibria converge strongly in H^1_0(Ω) and uniformly on overlineΩ to the unique Grad--Mercier equilibrium. Reconstructed equilibrium sources converge weak-* in L^{infty}(Ω) to the original nonlocal source.

  • 2 authors
·
Oct 3

Resonance expansions and local-energy decay estimates for Dirac operators

We study resonance expansions and localised long-time dynamics for three-dimensional semiclassical Dirac operators. For smooth Hermitian matrix-valued perturbations which are analytic outside a compact set, we first obtain exponential cut-off resolvent bounds away from the resonance set and polynomial bounds in thin resonance-free rectangles adjacent to the real axis. Combining these estimates with a local Oc(h^{-3}) upper bound on the number of resonances, a pigeonhole selection of admissible contours, almost-analytic functional calculus, and a Cauchy--Green deformation, we derive resonance expansions for spectrally localised propagators. Positive-energy resonances contribute for large positive times, whereas negative-energy resonances contribute for large negative times. We then specialise to mass-type perturbations mbfβV(x) in a nontrapping energy window. Using the logarithmic resonance-free region established in our earlier work together with a quantitative FBI-transform/escape-function argument, we obtain a polynomial bound for the continued cut-off resolvent and deduce rapid local-energy decay. We subsequently refine this polynomial estimate by a finite-time propagation argument in the undistorted region. Introducing the maximal positive-sheet connection time T_χ associated with the spatial cutoff, we prove a geometric continued-resolvent estimate and, for every fixed M below the resonance-free depth constant, derive the explicit local-energy decay threshold T_N>T_χ+(N+1)/M. The same analysis gives a rigorous microlocal obstruction to a uniform [hlog(1/h)]^{-1} bound for the full distorted resolvent and identifies a finite-flight-time amplification mechanism for the sandwiched continued resolvent at logarithmic depth.

  • 2 authors
·
Sep 30

Learning Eigenstructures of Unstructured Data Manifolds

We introduce a novel framework that directly learns a spectral basis for shape and manifold analysis from unstructured data, eliminating the need for traditional operator selection, discretization, and eigensolvers. Grounded in optimal-approximation theory, we train a network to decompose an implicit approximation operator by minimizing the reconstruction error in the learned basis over a chosen distribution of probe functions. For suitable distributions, they can be seen as an approximation of the Laplacian operator and its eigendecomposition, which are fundamental in geometry processing. Furthermore, our method recovers in a unified manner not only the spectral basis, but also the implicit metric's sampling density and the eigenvalues of the underlying operator. Notably, our unsupervised method makes no assumption on the data manifold, such as meshing or manifold dimensionality, allowing it to scale to arbitrary datasets of any dimension. On point clouds lying on surfaces in 3D and high-dimensional image manifolds, our approach yields meaningful spectral bases, that can resemble those of the Laplacian, without explicit construction of an operator. By replacing the traditional operator selection, construction, and eigendecomposition with a learning-based approach, our framework offers a principled, data-driven alternative to conventional pipelines. This opens new possibilities in geometry processing for unstructured data, particularly in high-dimensional spaces.

On the matrices in B-spline collocation methods for Riesz fractional equations and their spectral properties

In this work, we focus on a fractional differential equation in Riesz form discretized by a polynomial B-spline collocation method. For an arbitrary polynomial degree p, we show that the resulting coefficient matrices possess a Toeplitz-like structure. We investigate their spectral properties via their symbol and we prove that, like for second order differential problems, also in this case the given matrices are ill-conditioned both in the low and high frequencies for large p. More precisely, in the fractional scenario the symbol has a single zero at 0 of order α, with α the fractional derivative order that ranges from 1 to 2, and it presents an exponential decay to zero at π for increasing p that becomes faster as α approaches 1. This translates in a mitigated conditioning in the low frequencies and in a deterioration in the high frequencies when compared to second order problems. Furthermore, the derivation of the symbol reveals another similarity of our problem with a classical diffusion problem. Since the entries of the coefficient matrices are defined as evaluations of fractional derivatives of the B-spline basis at the collocation points, we are able to express the central entries of the coefficient matrix as inner products of two fractional derivatives of cardinal B-splines. Finally, we perform a numerical study of the approximation behavior of polynomial B-spline collocation. This study suggests that, in line with non-fractional diffusion problems, the approximation order for smooth solutions in the fractional case is p+2-α for even p, and p+1-α for odd p.

  • 4 authors
·
Jun 28, 2021

Light Schrödinger Bridge

Despite the recent advances in the field of computational Schr\"odinger Bridges (SB), most existing SB solvers are still heavy-weighted and require complex optimization of several neural networks. It turns out that there is no principal solver which plays the role of simple-yet-effective baseline for SB just like, e.g., k-means method in clustering, logistic regression in classification or Sinkhorn algorithm in discrete optimal transport. We address this issue and propose a novel fast and simple SB solver. Our development is a smart combination of two ideas which recently appeared in the field: (a) parameterization of the Schr\"odinger potentials with sum-exp quadratic functions and (b) viewing the log-Schr\"odinger potentials as the energy functions. We show that combined together these ideas yield a lightweight, simulation-free and theoretically justified SB solver with a simple straightforward optimization objective. As a result, it allows solving SB in moderate dimensions in a matter of minutes on CPU without a painful hyperparameter selection. Our light solver resembles the Gaussian mixture model which is widely used for density estimation. Inspired by this similarity, we also prove an important theoretical result showing that our light solver is a universal approximator of SBs. Furthemore, we conduct the analysis of the generalization error of our light solver. The code for our solver can be found at https://github.com/ngushchin/LightSB

  • 3 authors
·
Oct 2, 2023

Polynomial-Time Optimal Group Selection via the Double-Commutator Eigenvalue Problem

The algebraic diversity framework generalizes temporal averaging over multiple observations to algebraic group action on a single observation for second-order statistical estimation. The central open problem in this framework is group selection: given an M-dimensional observation with unknown covariance structure, find the finite group whose spectral decomposition best matches the covariance. Naive enumeration of all subgroups of the symmetric group S_M requires exponential time in M. We prove that this combinatorial problem reduces to a generalized eigenvalue problem derived from the double commutator of the covariance matrix, yielding a polynomial-time algorithm with complexity O(d^2M^2 + d^3), where d is the dimension of a generator basis. The minimum eigenvector of the double-commutator matrix directly constructs the optimal group generator in closed form, with no iterative optimization. The reduction is exact: the double-commutator minimum eigenvalue is zero if and only if the optimal generator lies in the span of the basis, and its magnitude provides a certifiable optimality gap when it does not. This problem does not appear in the standard catalogs of computational complexity (Garey and Johnson, 1979) and represents a new class linking group theory, matrix analysis, and statistical estimation. We establish connections to independent component analysis (JADE), structured matrix nearness problems, and simultaneous matrix diagonalization, and we show that the double-commutator formulation is the unique approach that is simultaneously polynomial-time, closed-form, and certifiable. We extend the framework to non-Abelian symmetry recovery via a Sequential GEVP with deflation, and add two identifiability theorems characterizing the commutant-lattice ambiguity and the dichotomy on whether Aut(R) recovers a generative subgroup or only a supergroup.

  • 1 authors
·
May 7

Plunge bounds for Fourier concentration operators: geometry, smoothing, and wave packets

We prove a single-logarithm bound for the eigenvalues in the plunge region of Fourier concentration operators, removing the extra logarithmic factor in the Kulikov--Dam Larsen bound for two general admissible sets throughout each fixed exponential window. For bounded spatial and frequency sets A,BsubsetR^d of positive measure with finite upper codimension-one Minkowski boundary content, the number Λ_varepsilon(cA,B) of eigenvalues in (varepsilon,1-varepsilon) satisfies Λ_varepsilon(cA,B)le C(d,A,B,β)c^{d-1}D(1+log_+(c/D)), where D=log(1/(varepsilon(1-varepsilon))), for every fixed β>0, cge2, 0<varepsilon<1/2, and Dleβc, with log_+t=max(0,log t). The argument uses positive band-limited smoothing and requires no symmetry, convexity, or connectedness. In dimension two, the corresponding exponential-window estimate has a constant uniform in the window parameter. We also determine the optimal coordinate-Lipschitz constant d-1 for recursive decompositions of balls and standard simplices in every dimension, and obtain box-frequency estimates with explicit geometric constants. For C^1 convex bodies in three dimensions, the optimal infimum of recursive coordinate slopes is 2. Uniform real-order Bessel estimates give independent disk and ball bounds at every spectral threshold, including an explicit deep-tail term. For smooth strictly convex planar frequency bodies with positive curvature, we prove correlation estimates for aligned Gaussian packets at arbitrary relative scales and quantitative lower bounds on the cost of estimating spatial blocks separately. Together these results connect the global spectral bound with sharp geometric constructions and the cancellation retained by grouping boundary interactions.

  • 1 authors
·
Oct 6

On the Stability of Expressive Positional Encodings for Graph Neural Networks

Designing effective positional encodings for graphs is key to building powerful graph transformers and enhancing message-passing graph neural networks. Although widespread, using Laplacian eigenvectors as positional encodings faces two fundamental challenges: (1) Non-uniqueness: there are many different eigendecompositions of the same Laplacian, and (2) Instability: small perturbations to the Laplacian could result in completely different eigenspaces, leading to unpredictable changes in positional encoding. Despite many attempts to address non-uniqueness, most methods overlook stability, leading to poor generalization on unseen graph structures. We identify the cause of instability to be a "hard partition" of eigenspaces. Hence, we introduce Stable and Expressive Positional Encodings (SPE), an architecture for processing eigenvectors that uses eigenvalues to "softly partition" eigenspaces. SPE is the first architecture that is (1) provably stable, and (2) universally expressive for basis invariant functions whilst respecting all symmetries of eigenvectors. Besides guaranteed stability, we prove that SPE is at least as expressive as existing methods, and highly capable of counting graph structures. Finally, we evaluate the effectiveness of our method on molecular property prediction, and out-of-distribution generalization tasks, finding improved generalization compared to existing positional encoding methods.

  • 7 authors
·
Oct 4, 2023

Solving High-Dimensional PDEs with Latent Spectral Models

Deep models have achieved impressive progress in solving partial differential equations (PDEs). A burgeoning paradigm is learning neural operators to approximate the input-output mappings of PDEs. While previous deep models have explored the multiscale architectures and various operator designs, they are limited to learning the operators as a whole in the coordinate space. In real physical science problems, PDEs are complex coupled equations with numerical solvers relying on discretization into high-dimensional coordinate space, which cannot be precisely approximated by a single operator nor efficiently learned due to the curse of dimensionality. We present Latent Spectral Models (LSM) toward an efficient and precise solver for high-dimensional PDEs. Going beyond the coordinate space, LSM enables an attention-based hierarchical projection network to reduce the high-dimensional data into a compact latent space in linear time. Inspired by classical spectral methods in numerical analysis, we design a neural spectral block to solve PDEs in the latent space that approximates complex input-output mappings via learning multiple basis operators, enjoying nice theoretical guarantees for convergence and approximation. Experimentally, LSM achieves consistent state-of-the-art and yields a relative gain of 11.5% averaged on seven benchmarks covering both solid and fluid physics. Code is available at https://github.com/thuml/Latent-Spectral-Models.

  • 5 authors
·
Jan 29, 2023

Chebyshev-Exact Acceleration under Hessian Variation, II: Computer-Assisted Variational Lower Bound

We study two-step recurrences with positive step sizes and nonnegative momentum coefficients whose terminal residual is the Chebyshev minimax polynomial on a prescribed spectral interval [μ,L]. These recurrences have the same terminal error on a fixed quadratic, but their first-order responses to stepwise Hessian perturbations can differ. We prove that the sine-Jacobi recurrence of Part I is asymptotically optimal for this response norm within a factor of 1.000004, uniformly over 0<μ<L. Every terminal-exact recurrence satisfies A_Nge(2c_{cert}-o(1))N^{3/2}ε_N^star/(L-μ) with c_{cert}>1.14268353624, whereas the sine-Jacobi recurrence attains the constant 2c_{sin} with c_{sin}<1.14269218. The proof reduces the gain to the diagonal energy of a Jacobi Green matrix. A centering lift represents this matrix by an exponential kernel; packing its diagonal into a density on the line preserves the energy and controls the change in the Birman-Schwinger spectrum. A calibrated identity gives a lower bound using the ground parameter and one Fredholm determinant. Two further determinants and a trace observation improve the bound through a pointwise inequality on an explicit compact state region. One rational certificate verifies this inequality by interval arithmetic. A second certificate constructs a density satisfying the selected observations and both normalizations with energy below the sine value. Finally, no C^1 function of finitely many observations of the specified kinds gives a locally sharp lower bound at the sine density.

  • 2 authors
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Oct 5

Cylindric plane partitions, Lambda determinants, Commutants in semicircular systems

This thesis is divided into three parts. The first part deals with cylindric plane partitions. The second with lambda-determinants and the third with commutators in semi-circular systems. For more detailed abstract please see inside. Cylindric plane partitions may be thought of as a natural generalization of reverse plane partitions. A generating series for the enumeration of cylindric plane partitions was recently given by Borodin. The first result of section one is a new bijective proof of Borodin's identity which makes use of Fomin's growth diagram framework for generalized RSK correspondences. The second result is a (q,t)-analog of Borodin's identity which extends previous work by Okada in the reverse plane partition case. The third result is an explicit combinatorial interpretation of the Macdonald weight occurring in the (q,t)-analog using the non-intersecting lattice path model for cylindric plane partitions. Alternating sign matrices were discovered by Robbins and Rumsey whilst studying λ-determinants. In the second part of this thesis we prove a multi-parameter generalization of the λ-determinant, generalizing a recent result by di Francesco. Like the original λ-determinant, our formula exhibits the Laurent phenomenon. Semicircular systems were first introduced by Voiculescu as a part of his study of von Neumann algebras. In the third part of this thesis we study certain commutator subalgebras of the semicircular system. We find a projection matrix with an interesting self-similar structure. Making use of our projection formula we given an alternative, elementary proof that the semicircular system is a factor.

  • 1 authors
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Oct 25, 2021

Finite-Precision Symmetric Krylov Methods: Exact Rounding Examples, Block Paige Identities,and a Variable-Block Lanczos Model

Short-recurrence Krylov methods that are equivalent in exact arithmetic often diverge in floating-point arithmetic. To illustrate this, we provide an exactly representable two-cycle for steepest descent with a recursively updated residual. A complementary convergence theorem gives a sufficient condition under which the stored residual decreases geometrically. We then show that a second positive definite family yields different outcomes for a Hestenes--Stiefel Conjugate Gradient (CG) implementation and a direct Lanczos--Galerkin approach. CG finds the exact solution after four updates, whereas the two-step projected system becomes inconsistent. Under stated perturbation and transfer hypotheses, a common spectral enclosure gives comparable convergence bounds. For a dense, left-to-right evaluation order, we prove a sufficient precision bound for a prescribed backward error within n updates for an ntimes n matrix, together with a computable stopping test and specified exponent-range assumptions. We use polynomial estimates and numerical experiments to examine the trade-off between working precision and the number of CG iterations needed to achieve a prescribed backward error. We also compare results on inexact matrix-vector products and preconditioning with the frameworks of Paige and Greenbaum. For block Lanczos, we analyze Householder orthogonalization and singular-value truncation as the block size changes. Under componentwise and normwise error bounds, the computed coefficients satisfy a controlled local recurrence and an exact block Lanczos relation for a nearby symmetric problem in a larger space. A block form of Paige's identity bounds the overlap with a Ritz vector along its residual coordinate direction. An inter-block recurrence describes the evolution of overlap, and a Gram-matrix argument gives a count of additional nearby Ritz values.

  • 1 authors
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Sep 7

Multiobjective Optimization of Non-Smooth PDE-Constrained Problems

Multiobjective optimization plays an increasingly important role in modern applications, where several criteria are often of equal importance. The task in multiobjective optimization and multiobjective optimal control is therefore to compute the set of optimal compromises (the Pareto set) between the conflicting objectives. The advances in algorithms and the increasing interest in Pareto-optimal solutions have led to a wide range of new applications related to optimal and feedback control - potentially with non-smoothness both on the level of the objectives or in the system dynamics. This results in new challenges such as dealing with expensive models (e.g., governed by partial differential equations (PDEs)) and developing dedicated algorithms handling the non-smoothness. Since in contrast to single-objective optimization, the Pareto set generally consists of an infinite number of solutions, the computational effort can quickly become challenging, which is particularly problematic when the objectives are costly to evaluate or when a solution has to be presented very quickly. This article gives an overview of recent developments in the field of multiobjective optimization of non-smooth PDE-constrained problems. In particular we report on the advances achieved within Project 2 "Multiobjective Optimization of Non-Smooth PDE-Constrained Problems - Switches, State Constraints and Model Order Reduction" of the DFG Priority Programm 1962 "Non-smooth and Complementarity-based Distributed Parameter Systems: Simulation and Hierarchical Optimization".

  • 7 authors
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Aug 2, 2023

Improved Bounds for the Bilu--Linial Conjecture via Spectral Recovery from Mixed Determinantal Polynomials

The Bilu--Linial conjecture asks whether every finite d-regular graph with d geq 2 admits an edge signing σ whose signed adjacency matrix A_σ has spectral radius at most 2d-1. We prove that every signing meeting the mixed-root condition r_{A_σ}leq2(d-1) satisfies \[ ρ(A_σ) < 3+\sqrt5{2}d-1, \] where r_{A_σ} is the largest root of the mixed determinantal polynomial χ[A_σ,-A_σ]. The interlacing theorem of Ravichandran and Srivastava guarantees a signing satisfying the mixed-root condition, so our result improves the coefficient 2sqrt2 in their two-sided spectral bound. In the proof, we construct a positive matrix-valued probability measure supported on the roots of χ[A_σ,-A_σ]. The second moment gives a simple matrix inequality A_σ^2 + dI preceq 4r_{A_σ}^2I, which yields a preliminary coefficient 7. Estimates for the fourth moment use information about short walks to obtain the coefficient (3+5)/2. With more graph structural assumptions, the coefficient improves to sqrt6 for triangle-free graphs and to (5+3sqrt5)/2 for graphs of girth at least five. As a result of independent interest, we extend the construction to χ[A_1,ldots,A_k] for Hermitian matrices A_1,ldots,A_k with zero diagonal, and compute the first two moments explicitly. Finally, an explicit signing of K_8 shows that the mixed-root condition alone cannot guarantee a coefficient below (4+sqrt5)/sqrt6.

  • 2 authors
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Sep 13

High-order finite element method for atomic structure calculations

We introduce featom, an open source code that implements a high-order finite element solver for the radial Schr\"odinger, Dirac, and Kohn-Sham equations. The formulation accommodates various mesh types, such as uniform or exponential, and the convergence can be systematically controlled by increasing the number and/or polynomial order of the finite element basis functions. The Dirac equation is solved using a squared Hamiltonian approach to eliminate spurious states. To address the slow convergence of the kappa=pm1 states due to divergent derivatives at the origin, we incorporate known asymptotic forms into the solutions. We achieve a high level of accuracy (10^{-8} Hartree) for total energies and eigenvalues of heavy atoms such as uranium in both Schr\"odinger and Dirac Kohn-Sham solutions. We provide detailed convergence studies and computational parameters required to attain commonly required accuracies. Finally, we compare our results with known analytic results as well as the results of other methods. In particular, we calculate benchmark results for atomic numbers (Z) from 1 to 92, verifying current benchmarks. We demonstrate significant speedup compared to the state-of-the-art shooting solver dftatom. An efficient, modular Fortran 2008 implementation, is provided under an open source, permissive license, including examples and tests, wherein particular emphasis is placed on the independence (no global variables), reusability, and generality of the individual routines.

  • 8 authors
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Jul 11, 2023 2

Limits and Powers of Koopman Learning

Dynamical systems provide a comprehensive way to study complex and changing behaviors across various sciences. Many modern systems are too complicated to analyze directly or we do not have access to models, driving significant interest in learning methods. Koopman operators have emerged as a dominant approach because they allow the study of nonlinear dynamics using linear techniques by solving an infinite-dimensional spectral problem. However, current algorithms face challenges such as lack of convergence, hindering practical progress. This paper addresses a fundamental open question: When can we robustly learn the spectral properties of Koopman operators from trajectory data of dynamical systems, and when can we not? Understanding these boundaries is crucial for analysis, applications, and designing algorithms. We establish a foundational approach that combines computational analysis and ergodic theory, revealing the first fundamental barriers -- universal for any algorithm -- associated with system geometry and complexity, regardless of data quality and quantity. For instance, we demonstrate well-behaved smooth dynamical systems on tori where non-trivial eigenfunctions of the Koopman operator cannot be determined by any sequence of (even randomized) algorithms, even with unlimited training data. Additionally, we identify when learning is possible and introduce optimal algorithms with verification that overcome issues in standard methods. These results pave the way for a sharp classification theory of data-driven dynamical systems based on how many limits are needed to solve a problem. These limits characterize all previous methods, presenting a unified view. Our framework systematically determines when and how Koopman spectral properties can be learned.

  • 3 authors
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Jul 8, 2024

Geometric effects on the persistence of patch structures for 2D Euler equations in simply-connected bounded domains

We first prove a rigidity result for uniformly rotating vortex patch solutions to Euler equations in bounded simply-connected planar domains. Namely, if a bounded simply-connected domain with real-analytic boundary contains a nontrivial vortex patch that remains strictly inside the domain while undergoing a uniform rigid rotation, then the ambient domain must be a disc centered at the rotation center. The proof combines the rotating-frame formulation with harmonic unique continuation and the generalized Schwarz's reflection principle across analytic boundary arcs. These tools imply that, unless the outer domain is rotationally invariant, the velocity must vanish in an open region surrounding the patch, contradicting the nonzero circulation generated by the patch. In the same spirit, we show that only circular domains possess a circular point vortex orbit. As a second result, we construct quasi-periodic vortex patch solutions to the Euler equations in domains that are small perturbations of the unit disc D. The amplitudes of the solutions are linked to the size of the domain deformation, allowing the classical Rankine vortices bcdotD, bin(0,1), to be regarded as equilibrium states. Our analysis is perturbative with respect to the construction developed in the undeformed case, and the resulting quasi-periodic solutions exist for most values of the inner radius b. This provides the first construction of quasi-periodic vortex patch solutions to the Euler equations in non-radial domains. Moreover, combined with the rigidity result established above, this shows that, in the periodic case, these solutions cannot arise from a purely rigid rotation.

  • 1 authors
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Oct 5

Physics-Informed Neural Networks for One-Dimensional Quantum Well Problems

We implement physics-informed neural networks (PINNs) to solve the time-independent Schr\"odinger equation for three canonical one-dimensional quantum potentials: an infinite square well, a finite square well, and a finite barrier. The PINN models incorporate trial wavefunctions that exactly satisfy boundary conditions (Dirichlet zeros at domain boundaries), and they optimize a loss functional combining the PDE residual with a normalization constraint. For the infinite well, the ground-state energy is known (E = pi^2 in dimensionless units) and held fixed in training, whereas for the finite well and barrier, the eigenenergy is treated as a trainable parameter. We use fully-connected neural networks with smooth activation functions to represent the wavefunction and demonstrate that PINNs can learn the ground-state eigenfunctions and eigenvalues for these quantum systems. The results show that the PINN-predicted wavefunctions closely match analytical solutions or expected behaviors, and the learned eigenenergies converge to known values. We present training logs and convergence of the energy parameter, as well as figures comparing the PINN solutions to exact results. The discussion addresses the performance of PINNs relative to traditional numerical methods, highlighting challenges such as convergence to the correct eigenvalue, sensitivity to initialization, and the difficulty of modeling discontinuous potentials. We also discuss the importance of the normalization term to resolve the scaling ambiguity of the wavefunction. Finally, we conclude that PINNs are a viable approach for quantum eigenvalue problems, and we outline future directions including extensions to higher-dimensional and time-dependent Schr\"odinger equations.

  • 1 authors
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Apr 7, 2025

anyakrakusuma: A Python Library for Entropic Schrödinger Bridges on Idealized Geometries

We present anyakrakusuma, an open-source Python library that solves the discrete static Schrödinger bridge problem, the entropically regularized counterpart of optimal transport, through a log-domain Sinkhorn--Knopp iteration and reconstructs the entropic interpolation between two empirical point clouds. The solver is paired with a diagnostic pipeline that characterizes the optimal coupling and the intermediate distributions through information-theoretic and geometric measures. We exercise the library on four idealized planar cases spanning a circle-to-circle dilation, a spiral-to-mixture fragmentation, a rigid reorientation of two moons, and a Lissajous-to-trefoil deformation. The log-domain formulation is necessary rather than merely convenient at the parameters studied, where the cost-to-regularization ratio reaches four hundred and the Gibbs kernel underflows double precision across most of its range; the iteration nonetheless attains a marginal residual of 10^{-9} and unit marginal fidelity in every case. Residual histories decay geometrically over approximately eight decades at per-iteration contraction factors between 0.966 and 0.976, which are local rates near the fixed point that lie many orders of magnitude below the worst-case Hilbert-metric bound. The covariance analysis recovers an imposed ninety-degree reorientation to within 0.07^circ, roughly forty times smaller than its uncertainty, across a masked interval of near-isotropy on which the principal axis is unobservable. The diagnostics are reported with explicit attention to the regimes in which each is well defined, including the differential entropy, which is meaningful only on the open interpolation interval. The presented cases are constructed rather than measured; quantitative application to empirical point clouds requires further study.

Closed-Form Spectral Regularization for Multi-Task Model Merging

Model merging combines several independently fine-tuned experts into a single multi-task model without any training data, reducing the storage, serving, and decentralized-development costs of large foundation models. State-of-the-art merging methods formulate merging as a layer-wise quadratic interference minimization problem. Although this problem admits an exact closed-form pseudoinverse solution, that solution underperforms hundreds of iterations of gradient descent in practice. The iterative loop dominates the cost of the pipeline, yet its effectiveness has remained unexplained. We revisit this regime and show that the iterative solver does not primarily act as an optimizer; rather, it serves as an implicit spectral regularizer for an ill-posed normal equation, where small-eigenvalue directions of the per-layer interference operator amplify proxy noise. Building on this finding, we formalize multi-task model merging as a noisy linear inverse problem and propose a spectral filtering estimator parameterized by a per-direction filter. We instantiate this estimator with SWUDI, a closed-form method that combines a soft exponential filter, which matches the gradient-flow trajectory of iterative descent, with a hard top-K truncation that suppresses noise-amplifying small-eigenvalue directions. Furthermore, we propose SWUDI-A, an adaptive variant that replaces the global rank hyperparameter with per-layer rank rules, further improving robustness across architectures. Both variants share a single symmetric eigendecomposition per linear layer and require no training data or optimizer state. Across four general benchmarks and a multimodal merging benchmark spanning VQA, Geometry, Chart, OCR, Grounding, and modality merging, our proposed spectral solvers match or outperform state-of-the-art merging methods. Crucially, they reduce wall-clock time by 28-72x and peak GPU memory by up to 50%.

  • 7 authors
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Jun 4