new

Get trending papers in your email inbox!

Subscribe

Daily Papers

byAK and the research community

Oct 28

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

Neural Network Approximations of PDEs Beyond Linearity: A Representational Perspective

A burgeoning line of research leverages deep neural networks to approximate the solutions to high dimensional PDEs, opening lines of theoretical inquiry focused on explaining how it is that these models appear to evade the curse of dimensionality. However, most prior theoretical analyses have been limited to linear PDEs. In this work, we take a step towards studying the representational power of neural networks for approximating solutions to nonlinear PDEs. We focus on a class of PDEs known as nonlinear elliptic variational PDEs, whose solutions minimize an Euler-Lagrange energy functional E(u) = int_Omega L(x, u(x), nabla u(x)) - f(x) u(x)dx. We show that if composing a function with Barron norm b with partial derivatives of L produces a function of Barron norm at most B_L b^p, the solution to the PDE can be epsilon-approximated in the L^2 sense by a function with Barron norm Oleft(left(dB_Lright)^{max{p log(1/ epsilon), p^{log(1/epsilon)}}}right). By a classical result due to Barron [1993], this correspondingly bounds the size of a 2-layer neural network needed to approximate the solution. Treating p, epsilon, B_L as constants, this quantity is polynomial in dimension, thus showing neural networks can evade the curse of dimensionality. Our proof technique involves neurally simulating (preconditioned) gradient in an appropriate Hilbert space, which converges exponentially fast to the solution of the PDE, and such that we can bound the increase of the Barron norm at each iterate. Our results subsume and substantially generalize analogous prior results for linear elliptic PDEs over a unit hypercube.

  • 4 authors
·
Oct 21, 2022

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

Tessellations and Speiser graphs arising from meromorphic functions on simply connected Riemann surfaces

Motivated by W. P. Thurston, we ask: What is the shape of a meromorphic function on a simply connected Riemann surface Ω_z? We consider Speiser functions, i.e. meromorphic functions on a simply connected Riemann surface, that have a finite number q at least 2 of singular (critical or asymptotic) values. As a first result, we make precise the correspondence between: Speiser functions w(z), Speiser Riemann surfaces R_w(z), Speiser q-tessellation, and analytic Speiser graphs of index q. As the second main result, we characterize tessellations with alternating colors (equivalently abstract pre-Speiser graphs) that are realized by Speiser functions on Ω_z. The characterization is in terms of the q-regular extension problem of bipartite planar graphs. As third main results, the Speiser Riemann surface R_w(z) can be constructed by isometric glueing of a finite number of types of sheets, where each sheet is a maximal domain of single-valuedness of the inverse of w(z). Furthermore, a unique decomposition of R_w(z) into maximal logarithmic towers and a soul is provided. Using vector fields we recognize that logarithmic towers come in two flavors: exponential or h-tangent blocks, directly related to the exponential or the hyperbolic tangent functions on the upper half plane. The surface R_w(z) of a finite Speiser function is characterized by surgery of a rational block and a finite number of exponential or h-tangent blocks.

  • 2 authors
·
Jan 30

Fast multivariate empirical cumulative distribution function with connection to kernel density estimation

This paper revisits the problem of computing empirical cumulative distribution functions (ECDF) efficiently on large, multivariate datasets. Computing an ECDF at one evaluation point requires O(N) operations on a dataset composed of N data points. Therefore, a direct evaluation of ECDFs at N evaluation points requires a quadratic O(N^2) operations, which is prohibitive for large-scale problems. Two fast and exact methods are proposed and compared. The first one is based on fast summation in lexicographical order, with a O(N{log}N) complexity and requires the evaluation points to lie on a regular grid. The second one is based on the divide-and-conquer principle, with a O(Nlog(N)^{(d-1){vee}1}) complexity and requires the evaluation points to coincide with the input points. The two fast algorithms are described and detailed in the general d-dimensional case, and numerical experiments validate their speed and accuracy. Secondly, the paper establishes a direct connection between cumulative distribution functions and kernel density estimation (KDE) for a large class of kernels. This connection paves the way for fast exact algorithms for multivariate kernel density estimation and kernel regression. Numerical tests with the Laplacian kernel validate the speed and accuracy of the proposed algorithms. A broad range of large-scale multivariate density estimation, cumulative distribution estimation, survival function estimation and regression problems can benefit from the proposed numerical methods.

  • 2 authors
·
May 24, 2020

Two-dimensional structures in the quintic Ginzburg-Landau equation

By using ZEUS cluster at Embry-Riddle Aeronautical University we perform extensive numerical simulations based on a two-dimensional Fourier spectral method Fourier spatial discretization and an explicit scheme for time differencing) to find the range of existence of the spatiotemporal solitons of the two-dimensional complex Ginzburg-Landau equation with cubic and quintic nonlinearities. We start from the parameters used by Akhmediev {\it et. al.} and slowly vary them one by one to determine the regimes where solitons exist as stable/unstable structures. We present eight classes of dissipative solitons from which six are known (stationary, pulsating, vortex spinning, filament, exploding, creeping) and two are novel (creeping-vortex propellers and spinning "bean-shaped" solitons). By running lengthy simulations for the different parameters of the equation, we find ranges of existence of stable structures (stationary, pulsating, circular vortex spinning, organized exploding), and unstable structures (elliptic vortex spinning that leads to filament, disorganized exploding, creeping). Moreover, by varying even the two initial conditions together with vorticity, we find a richer behavior in the form of creeping-vortex propellers, and spinning "bean-shaped" solitons. Each class differentiates from the other by distinctive features of their energy evolution, shape of initial conditions, as well as domain of existence of parameters.

  • 3 authors
·
Nov 11, 2014

Parabolic-elliptic and indirect-direct simplifications in chemotaxis systems driven by indirect signalling

Singular limits for the following indirect signalling chemotaxis system align* \left\{ array{lllllll} \partial_t n = \Delta n - \nabla \cdot (n \nabla c ) & in \Omega\times(0,\infty) , \varepsilon \partial_t c = \Delta c - c + w & in \Omega\times(0,\infty), \varepsilon \partial_t w = \tau \Delta w - w + n & in \Omega\times (0,\infty), \partial_\nu n = \partial_\nu c = \partial_\nu w = 0, &on \partial\Omega\times (0,\infty) %(n,c,w)_{t=0} = (n_0,c_0,w_0) & on \Omega, array \right. align* are investigated. More precisely, we study parabolic-elliptic simplification, or PES, varepsilonto 0^+ with fixed tau>0 up to the critical dimension N=4, and indirect-direct simplification, or IDS, (varepsilon,tau)to (0^+,0^+) up to the critical dimension N=2. These are relevant in biological situations where the signalling process is on a much faster time scale compared to the species diffusion and all interactions. Showing singular limits in critical dimensions is challenging. To deal with the PES, we carefully combine the entropy function, an Adam-type inequality, the regularisation of slow evolution, and an energy equation method to obtain strong convergence in representative spaces. For the IDS, a bootstrap argument concerning the L^p-energy function is devised, which allows us to obtain suitable uniform bounds for the singular limits. Moreover, in both scenarios, we also present the convergence rates, where the effect of the initial layer and the convergence to the critical manifold are also revealed.

  • 4 authors
·
Aug 2, 2025

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

All elementary functions from a single binary operator

A single two-input gate suffices for all of Boolean logic in digital hardware. No comparable primitive has been known for continuous mathematics: computing elementary functions such as sin, cos, sqrt, and log has always required multiple distinct operations. Here I show that a single binary operator, eml(x,y)=exp(x)-ln(y), together with the constant 1, generates the standard repertoire of a scientific calculator. This includes constants such as e, pi, and i; arithmetic operations including addition, subtraction, multiplication, division, and exponentiation as well as the usual transcendental and algebraic functions. For example, exp(x)=eml(x,1), ln(x)=eml(1,eml(eml(1,x),1)), and likewise for all other operations. That such an operator exists was not anticipated; I found it by systematic exhaustive search and established constructively that it suffices for the concrete scientific-calculator basis. In EML (Exp-Minus-Log) form, every such expression becomes a binary tree of identical nodes, yielding a grammar as simple as S -> 1 | eml(S,S). This uniform structure also enables gradient-based symbolic regression: using EML trees as trainable circuits with standard optimizers (Adam), I demonstrate the feasibility of exact recovery of closed-form elementary functions from numerical data at shallow tree depths up to 4. The same architecture can fit arbitrary data, but when the generating law is elementary, it may recover the exact formula.

  • 1 authors
·
Apr 3

AutoNumerics-Zero: Automated Discovery of State-of-the-Art Mathematical Functions

Computers calculate transcendental functions by approximating them through the composition of a few limited-precision instructions. For example, an exponential can be calculated with a Taylor series. These approximation methods were developed over the centuries by mathematicians, who emphasized the attainability of arbitrary precision. Computers, however, operate on few limited precision types, such as the popular float32. In this study, we show that when aiming for limited precision, existing approximation methods can be outperformed by programs automatically discovered from scratch by a simple evolutionary algorithm. In particular, over real numbers, our method can approximate the exponential function reaching orders of magnitude more precision for a given number of operations when compared to previous approaches. More practically, over float32 numbers and constrained to less than 1 ULP of error, the same method attains a speedup over baselines by generating code that triggers better XLA/LLVM compilation paths. In other words, in both cases, evolution searched a vast space of possible programs, without knowledge of mathematics, to discover previously unknown optimized approximations to high precision, for the first time. We also give evidence that these results extend beyond the exponential. The ubiquity of transcendental functions suggests that our method has the potential to reduce the cost of scientific computing applications.

  • 10 authors
·
Dec 13, 2023

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

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
·
Jul 11, 2023 2

Phemenological Modeling of Eclipsing Binary Stars

We review the method NAV (New Algol Variable) first introduced in 2012Ap.....55..536A, which uses the locally-dependent shapes of eclipses in an addition to the trigonometric polynomial of the second order (which typically describes the "out-of-eclipse" part of the light curve with effects of reflection, ellipticity and O'Connell). Eclipsing binary stars are believed to show distinct eclipses only if belonging to the EA type. With a decreasing eclipse width, the statistically optimal value of the trigonometric polynomial s (2003ASPC..292..391A) drastically increases from ~2 for elliptic (EL) variables without eclipses, ~6-8 for EW and up to ~30-50 for some EA with narrow eclipses. In this case of large number of parameters, the smoothing curve becomes very noisy and apparent waves (the Gibbs phenomenon) may be seen. The NAV set of the parameters may be used for classification in the GCVS, VSX and similar catalogs. The maximal number of parameters is m=12, which corresponds to s=5, if correcting both the period and the initial epoch. We have applied the method to few stars, also in a case of multi-color photometry (2015JASS...32..127A), when it is possible to use the phenomenological parameters from the NAV fit to estimate physical parameters using statistical dependencies. We conclude that the NAV approximation is better than the TP one even for the case of EW-type stars with much wider eclipses. It may also be used to determine timings (see 2005ASPC..335...37A for a review of methods) or to determine parameters in the case of variable period, using a complete light curve modeling the phase variations. The method is illustrated on 2MASS J11080447-6143290 (EA-type), USNO-B1.0 1265-0306001 and USNO-B1.0 1266-0313413 (EW-type) and compared to various other methods from the literature.

  • 3 authors
·
Feb 12, 2016

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

Bifurcations and Competing Coherent Structures in the Cubic-Quintic Ginzburg-Landau Equation I: Plane Wave (CW) Solutions

Singularity Theory is used to comprehensively investigate the bifurcations of the steady-states of the traveling wave ODEs of the cubic-quintic Ginzburg-Landau equation (CGLE). These correspond to plane waves of the PDE. In addition to the most general situation, we also derive the degeneracy conditions on the eight coefficients of the CGLE under which the equation for the steady states assumes each of the possible quartic (the quartic fold and an unnamed form), cubic (the pitchfork and the winged cusp), and quadratic (four possible cases) normal forms for singularities of codimension up to three. Since the actual governing equations are employed, all results are globally valid, and not just of local applicability. In each case, the recognition problem for the unfolded singularity is treated. The transition varieties, i.e. the hysteresis, isola, and double limit curves are presented for each normal form. For both the most general case, as well as for various combinations of coefficients relevant to the particular cases, the bifurcations curves are mapped out in the various regions of parameter space delimited by these varieties. The multiplicities and interactions of the plane wave solutions are then comprehensively deduced from the bifurcation plots in each regime, and include features such as regimes of hysteresis among co-existing states, domains featuring more than one interval of hysteresis, and isola behavior featuring dynamics unrelated to the primary solution branch in limited ranges of parameter space.

  • 2 authors
·
Dec 18, 2012

Exponential Separation between Quantum and Classical Ordered Binary Decision Diagrams, Reordering Method and Hierarchies

In this paper, we study quantum Ordered Binary Decision Diagrams(OBDD) model; it is a restricted version of read-once quantum branching programs, with respect to "width" complexity. It is known that the maximal gap between deterministic and quantum complexities is exponential. But there are few examples of functions with such a gap. We present a new technique ("reordering") for proving lower bounds and upper bounds for OBDD with an arbitrary order of input variables if we have similar bounds for the natural order. Using this transformation, we construct a total function REQ such that the deterministic OBDD complexity of it is at least 2^{Ω(n / log n)}, and the quantum OBDD complexity of it is at most O(n^2/log n). It is the biggest known gap for explicit functions not representable by OBDDs of a linear width. Another function(shifted equality function) allows us to obtain a gap 2^{Ω(n)} vs O(n^2). Moreover, we prove the bounded error quantum and probabilistic OBDD width hierarchies for complexity classes of Boolean functions. Additionally, using "reordering" method we extend a hierarchy for read-k-times Ordered Binary Decision Diagrams (k-OBDD) of polynomial width, for k = o(n / log^3 n). We prove a similar hierarchy for bounded error probabilistic k-OBDDs of polynomial, superpolynomial and subexponential width. The extended abstract of this work was presented on International Computer Science Symposium in Russia, CSR 2017, Kazan, Russia, June 8 -- 12, 2017

  • 3 authors
·
Apr 21, 2022

Algorithm-assisted discovery of an intrinsic order among mathematical constants

In recent decades, a growing number of discoveries in fields of mathematics have been assisted by computer algorithms, primarily for exploring large parameter spaces that humans would take too long to investigate. As computers and algorithms become more powerful, an intriguing possibility arises - the interplay between human intuition and computer algorithms can lead to discoveries of novel mathematical concepts that would otherwise remain elusive. To realize this perspective, we have developed a massively parallel computer algorithm that discovers an unprecedented number of continued fraction formulas for fundamental mathematical constants. The sheer number of formulas discovered by the algorithm unveils a novel mathematical structure that we call the conservative matrix field. Such matrix fields (1) unify thousands of existing formulas, (2) generate infinitely many new formulas, and most importantly, (3) lead to unexpected relations between different mathematical constants, including multiple integer values of the Riemann zeta function. Conservative matrix fields also enable new mathematical proofs of irrationality. In particular, we can use them to generalize the celebrated proof by Ap\'ery for the irrationality of zeta(3). Utilizing thousands of personal computers worldwide, our computer-supported research strategy demonstrates the power of experimental mathematics, highlighting the prospects of large-scale computational approaches to tackle longstanding open problems and discover unexpected connections across diverse fields of science.

  • 9 authors
·
Aug 22, 2023

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

Taming the Loss Landscape of PINNs with Noisy Feynman-Kac Supervision: Operator Preconditioning and Non-Asymptotic Error Bounds

Physics-Informed Neural Networks (PINNs) often train slowly or fail to converge on challenging partial differential equations (PDEs), a behavior recently linked to severely ill-conditioned loss landscapes inherited from the underlying differential operator. We study PINNs augmented with a pointwise data-fidelity term, added at a few points in the domain to the standard residual and boundary losses. We show that this supervision term acts as an operator-level preconditioner: for suitable weights, our comparison bounds guarantee a substantially smaller condition number than under the standard PINN loss, independently of how the pointwise labels are obtained. For a broad class of PDEs admitting a Feynman-Kac (FK) representation, we generate such labels by Monte Carlo averages of the FK functional, resulting in what we call ``FK-PINNs", and using the excess risk decomposition approach, we derive non-asymptotic L^2(Ω)-error bounds for FK-PINNs with tanh activation trained by finitely many steps of gradient descent. Along the way, we establish pseudo-dimension bounds for first- and second-order derivatives of tanh neural networks, which are of independent interest and, to the best of our knowledge, new. Numerical experiments on Poisson, Schrödinger, mean exit time, and committor problems corroborate the theory, and show that FK-PINNs can successfully solve PDEs for which standard PINNs exhibit severe failure modes.

  • 4 authors
·
May 29

HyPINO: Multi-Physics Neural Operators via HyperPINNs and the Method of Manufactured Solutions

We present HyPINO, a multi-physics neural operator designed for zero-shot generalization across a broad class of parametric PDEs without requiring task-specific fine-tuning. Our approach combines a Swin Transformer-based hypernetwork with mixed supervision: (i) labeled data from analytical solutions generated via the Method of Manufactured Solutions (MMS), and (ii) unlabeled samples optimized using physics-informed objectives. The model maps PDE parametrizations to target Physics-Informed Neural Networks (PINNs) and can handle linear elliptic, hyperbolic, and parabolic equations in two dimensions with varying source terms, geometries, and mixed Dirichlet/Neumann boundary conditions, including interior boundaries. HyPINO achieves strong zero-shot accuracy on seven benchmark problems from PINN literature, outperforming U-Nets, Poseidon, and Physics-Informed Neural Operators (PINO). Further, we introduce an iterative refinement procedure that compares the physics of the generated PINN to the requested PDE and uses the discrepancy to generate a "delta" PINN. Summing their contributions and repeating this process forms an ensemble whose combined solution progressively reduces the error on six benchmarks and achieves over 100x gain in average L_2 loss in the best case, while retaining forward-only inference. Additionally, we evaluate the fine-tuning behavior of PINNs initialized by HyPINO and show that they converge faster and to lower final error than both randomly initialized and Reptile-meta-learned PINNs on five benchmarks, performing on par on the remaining two. Our results highlight the potential of this scalable approach as a foundation for extending neural operators toward solving increasingly complex, nonlinear, and high-dimensional PDE problems with significantly improved accuracy and reduced computational cost.

  • 5 authors
·
Sep 5, 2025

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
·
Apr 7, 2025

Automated Search for Conjectures on Mathematical Constants using Analysis of Integer Sequences

Formulas involving fundamental mathematical constants had a great impact on various fields of science and mathematics, for example aiding in proofs of irrationality of constants. However, the discovery of such formulas has historically remained scarce, often perceived as an act of mathematical genius by great mathematicians such as Ramanujan, Euler, and Gauss. Recent efforts to automate the discovery of formulas for mathematical constants, such as the Ramanujan Machine project, relied on exhaustive search. Despite several successful discoveries, exhaustive search remains limited by the space of options that can be covered and by the need for vast amounts of computational resources. Here we propose a fundamentally different method to search for conjectures on mathematical constants: through analysis of integer sequences. We introduce the Enumerated Signed-continued-fraction Massey Approve (ESMA) algorithm, which builds on the Berlekamp-Massey algorithm to identify patterns in integer sequences that represent mathematical constants. The ESMA algorithm found various known formulas for e, e^2, tan(1), and ratios of values of Bessel functions. The algorithm further discovered a large number of new conjectures for these constants, some providing simpler representations and some providing faster numerical convergence than the corresponding simple continued fractions. Along with the algorithm, we present mathematical tools for manipulating continued fractions. These connections enable us to characterize what space of constants can be found by ESMA and quantify its algorithmic advantage in certain scenarios. Altogether, this work continues in the development of augmenting mathematical intuition by computer algorithms, to help reveal mathematical structures and accelerate mathematical research.

  • 6 authors
·
Dec 13, 2022

Magnetic Susceptibility of Superconducting Films in the Meissner-London Regime

Extracting the London penetration depth, λ(T), from the measured magnetic susceptibility, χ(T), of a superconducting platelet in a perpendicular magnetic field requires knowing the function χ(λ) computed for the actual sample geometry. Thin films are increasingly important in quantum computing and superconducting electronics, most of which operate at ultra-low excitation fields in the vortex-free regime. Understanding their electromagnetic response in the Meissner--London (finite-λ, no vortices) state is therefore essential for extracting intrinsic properties such as the London penetration depth and superfluid phase stiffness. While numerous prior works have addressed different aspects of this problem, here we focus on providing an analytical semi-empirical representation of χ(λ) based on the 2D sheet-current model and establishing the limits of its applicability using two independent full 3D numerical solutions: finite-element modeling and a volume-current integral equation. As a result, we provide χ(λ) for a disc of radius a and thickness d in closed form, valid for all λ and for aspect ratios δequiv d/(2a)le0.05, and accurate to 0.1%. The two-dimensional sheet description with Pearl length Λ=2λ^2/d is adequate for δlesssim10^{-4} and λgtrsim 4d. Thicker films require the full closed form, which includes the three-dimensional corrections. Using the same numerical analysis, we provide an empirical formula that maps rectangular samples---the geometry most commonly used in experiments---onto a disc with an ``effective radius'' for subsequent calculation of χ(λ), and formulate a complete calibration protocol for whole-sample susceptibility measurements.

  • 1 authors
·
Oct 13

Nonlinear Spectral Computing

Many machine learning algorithms rely on the Fourier transform, which is also the inner core of many analog computing devices and, specifically, of optical computing. The square of the modulus of the Fourier spectrum naturally maps onto pairwise interactions, as in the renowned Ising model, making it applicable to combinatorial optimization. Here we show how the nonlinear Fourier transform, related to integrable nonlinear partial differential equations, significantly widens the computational capability and also enables a wide variety of computing gates. We study specifically the case of the nonlinear Schrödinger equation; we introduce an input composed by ``tokens'', i.e., batches of information encoded in a multi-step potential, and we show how the nonlinear spectral computing arising in the wave propagation not only generalizes combinatorial optimization to higher order problems, but also realizes boolean gates. In the weakly nonlinear regime, nonlinearity generates higher-order interactions as perturbative corrections to the pairwise terms. In the solitonic regime, the discrete nonlinear spectrum performs digital computation through soliton generation. By using four input tokens, we demonstrate the programmability of all 256 Boolean functions of three variables, including 3-SAT instances. Our results show that integrable nonlinear propagation provides an unprecedented single physical platform for higher-order and logical computation, opening the way to a rich variety of new algorithms for analog computing, machine learning, and classical and quantum information processing.

  • 3 authors
·
Oct 5

Extensions of Schoen--Simon--Yau and Schoen--Simon theorems via iteration à la De Giorgi

We give an alternative proof of the Schoen--Simon--Yau curvature estimates and associated Bernstein-type theorems (1975), and extend the original result by including the case of 6-dimensional (stable minimal) immersions. The key step is an ε-regularity theorem, that assumes smallness of the scale-invariant L^2 norm of the second fundamental form. Further, we obtain a graph description, in the Lipschitz multi-valued sense, for any stable minimal immersion of dimension ngeq 2, that may have a singular set Σ of locally finite H^{n-2}-measure, and that is weakly close to a hyperplane. (In fact, if H^{n-2}(Σ)=0, the conclusion is strengthened to a union of smooth graphs.) This follows directly from an ε-regularity theorem, that assumes smallness of the scale-invariant L^2 tilt-excess (verified when the hypersurface is weakly close to a hyperplane). Specialising the multi-valued decomposition to the case of embeddings, we recover the Schoen--Simon theorem (1981). In both ε-regularity theorems the relevant quantity (respectively, length of the second fundamental form and tilt function) solves a non-linear PDE on the immersed minimal hypersurface. The proof is carried out intrinsically (without linearising the PDE) by implementing an iteration method à la De Giorgi (from the linear De Giorgi--Nash--Moser theory). Stability implies estimates (intrinsic weak Caccioppoli inequalities) that make the iteration effective despite the non-linear framework. (In both ε-regularity theorems the method gives explicit constants that quantify the required smallness.)

  • 1 authors
·
Sep 11, 2025

Accurate Computation of the Logarithm of Modified Bessel Functions on GPUs

Bessel functions are critical in scientific computing for applications such as machine learning, protein structure modeling, and robotics. However, currently, available routines lack precision or fail for certain input ranges, such as when the order v is large, and GPU-specific implementations are limited. We address the precision limitations of current numerical implementations while dramatically improving the runtime. We propose two novel algorithms for computing the logarithm of modified Bessel functions of the first and second kinds by computing intermediate values on a logarithmic scale. Our algorithms are robust and never have issues with underflows or overflows while having relative errors on the order of machine precision, even for inputs where existing libraries fail. In C++/CUDA, our algorithms have median and maximum speedups of 45x and 6150x for GPU and 17x and 3403x for CPU, respectively, over the ranges of inputs and third-party libraries tested. Compared to SciPy, the algorithms have median and maximum speedups of 77x and 300x for GPU and 35x and 98x for CPU, respectively, over the tested inputs. The ability to robustly compute a solution and the low relative errors allow us to fit von Mises-Fisher, vMF, distributions to high-dimensional neural network features. This is, e.g., relevant for uncertainty quantification in metric learning. We obtain image feature data by processing CIFAR10 training images with the convolutional layers of a pre-trained ResNet50. We successfully fit vMF distributions to 2048-, 8192-, and 32768-dimensional image feature data using our algorithms. Our approach provides fast and accurate results while existing implementations in SciPy and mpmath fail to fit successfully. Our approach is readily implementable on GPUs, and we provide a fast open-source implementation alongside this paper.

  • 3 authors
·
Sep 13, 2024

Symbolic Density Estimators for Unnormalized Distributions

Estimating the symbolic or analytical form of probability density functions (PDFs) from observed samples is a fundamental challenge in statistical and computational modelling. This process is critical for deriving interpretable and generalizable relationships characterizing the underlying phenomenon. Traditionally, this estimation depends strongly on domain expertise and prior field-specific knowledge, with experts selecting appropriate functional forms or parametric families based on empirical evidence and theoretical understanding. The coefficients of these forms are then typically determined through parameter estimation. In this paper, we develop a framework for estimating symbolic expressions of unnormalized distributions from observed samples using domain-specific prior knowledge, such as the range of interactions and a predefined set of primitive functions. We integrate deep generative models with symbolic regression (SR), incorporating inductive biases, such as factorizing large distributions, to keep the problem tractable. The deep generative models we examine include likelihood-based models, viz., flow models, and score-based models. Experiments show the effectiveness of the proposed framework for estimating density functions for multivariate toy distributions as well as lattices from computational physics, namely, XY model and ϕ^4 theory. When applied to the renormalization problem in ϕ^4 theory, the proposed framework estimates compact symbolic approximations of the hamiltonian function at different scales directly from samples, yielding expressions that may be challenging to derive using traditional perturbative or analytic approaches in nonperturbative settings.

  • 4 authors
·
Oct 6

Quantum Lower Bounds for Finding Stationary Points of Nonconvex Functions

Quantum algorithms for optimization problems are of general interest. Despite recent progress in classical lower bounds for nonconvex optimization under different settings and quantum lower bounds for convex optimization, quantum lower bounds for nonconvex optimization are still widely open. In this paper, we conduct a systematic study of quantum query lower bounds on finding epsilon-approximate stationary points of nonconvex functions, and we consider the following two important settings: 1) having access to p-th order derivatives; or 2) having access to stochastic gradients. The classical query lower bounds is Omegabig(epsilon^{-1+p{p}}big) regarding the first setting, and Omega(epsilon^{-4}) regarding the second setting (or Omega(epsilon^{-3}) if the stochastic gradient function is mean-squared smooth). In this paper, we extend all these classical lower bounds to the quantum setting. They match the classical algorithmic results respectively, demonstrating that there is no quantum speedup for finding epsilon-stationary points of nonconvex functions with p-th order derivative inputs or stochastic gradient inputs, whether with or without the mean-squared smoothness assumption. Technically, our quantum lower bounds are obtained by showing that the sequential nature of classical hard instances in all these settings also applies to quantum queries, preventing any quantum speedup other than revealing information of the stationary points sequentially.

  • 2 authors
·
Dec 7, 2022