arXiv subjects

Manas Rachh

Publications and source records attributed to Manas Rachh.

At least 37 records · Page 2Linked to original sources

arXiv2023

Uniform approximation of common Gaussian process kernels using equispaced Fourier grids

The high efficiency of a recently proposed method for computing with Gaussian processes relies on expanding a (translationally invariant) covariance kernel into complex exponentials, with frequencies lying on a Cartesian equispaced grid. Here we provide rigorous error bounds for this approximation for two popular kernels -- Matérn and squared exponential -- in terms of the grid spacing and size. The kernel error bounds are uniform over a hypercube centered at the origin. Our tools include a split into aliasing and truncation errors, and bounds on sums of Gaussians or modified Bessel functions over various lattices. For the Matérn case, motivated by numerical study, we conjecture a stronger Frobenius-norm bound on the covariance matrix error for randomly-distributed data points. Lastly, we prove bounds on, and study numerically, the ill-conditioning of the linear systems arising in such regression problems.

math.NA↗

arXiv2023

A new version of the adaptive fast Gauss transform for discrete and continuous sources

We present a new version of the fast Gauss transform (FGT) for discrete and continuous sources. Classical Hermite expansions are avoided entirely, making use only of the plane-wave representation of the Gaussian kernel and a new hierarchical merging scheme. For continuous source distributions sampled on adaptive tensor-product grids, we exploit the separable structure of the Gaussian kernel to accelerate the computation. For discrete sources, the scheme relies on the nonuniform fast Fourier transform (NUFFT) to construct near field plane wave representations. The scheme has been implemented for either free-space or periodic boundary conditions. In many regimes, the speed is comparable to or better than that of the conventional FFT in work per gridpoint, despite being fully adaptive.

math.NA↗

arXiv2023

FMM-accelerated solvers for the Laplace-Beltrami problem on complex surfaces in three dimensions

The Laplace-Beltrami problem on closed surfaces embedded in three dimensions arises in many areas of physics, including molecular dynamics (surface diffusion), electromagnetics (harmonic vector fields), and fluid dynamics (vesicle deformation). Using classical potential theory, the Laplace-Beltrami operator can be pre-/post-conditioned with an integral operator whose kernel is translation invariant, resulting in well-conditioned Fredholm integral equations of the second-kind. These equations have the standard~$1/r$ kernel from potential theory, and therefore the equations can be solved rapidly and accurately using a combination of fast multipole methods (FMMs) and high-order quadrature corrections. In this work we detail such a scheme, presenting two alternative integral formulations of the Laplace-Beltrami problem, each of whose solution can be obtained via FMM acceleration. We then present several applications of the solvers, focusing on the computation of what are known as harmonic vector fields, relevant for many applications in electromagnetics. A battery of numerical results are presented for each application, detailing the performance of the solver in various geometries.

math.NA↗

arXiv2023

FMM-LU: A fast direct solver for multiscale boundary integral equations in three dimensions

We present a fast direct solver for boundary integral equations on complex surfaces in three dimensions using an extension of the recently introduced recursive strong skeletonization scheme. For problems that are not highly oscillatory, our algorithm computes an ${LU}$-like hierarchical factorization of the dense system matrix, permitting application of the inverse in $\mathcal O(n)$ time, where $n$ is the number of unknowns on the surface. The factorization itself also scales linearly with the system size, albeit with a somewhat larger constant. The scheme is built on a level-restricted adaptive octree data structure, and therefore it is compatible with highly nonuniform discretizations. Furthermore, the scheme is coupled with high-order accurate locally-corrected Nyström quadrature methods to integrate the singular and weakly-singular Green's functions used in the integral representations. Our method has immediate applications to a variety of problems in computational physics. We concentrate here on studying its performance in acoustic scattering (governed by the Helmholtz equation) at low to moderate frequencies, and provide rigorous justification for compression of submatrices via proxy surfaces.

math.NA↗

arXiv2023

Quantum electrodynamics of chiral waveguide arrays

We consider the quantum electrodynamics of a binary array of chiral waveguides, each containing many atoms. We show that the one-photon amplitude of a single-excitation state obeys a two-dimensional Dirac equation. Using this result, we develop the scattering theory for the Dirac equation in this setting and illustrate our results with numerical simulations.

physics.optics↗

arXiv2022

On the robustness of inverse scattering for penetrable, homogeneous objects with complicated boundary

The acoustic inverse obstacle scattering problem consists of determining the shape of a domain from measurements of the scattered far field due to some set of incident fields (probes). For a penetrable object with known sound speed, this can be accomplished by treating the boundary alone as an unknown curve. Alternatively, one can treat the entire object as unknown and use a more general volumetric representation, without making use of the known sound speed. Both lead to strongly nonlinear and nonconvex optimization problems for which recursive linearization provides a useful framework for numerical analysis. After extending our shape optimization approach developed earlier for impenetrable bodies, we carry out a systematic study of both methods and compare their performance on a variety of examples. Our findings indicate that the volumetric approach is more robust, even though the number of degrees of freedom is significantly larger. We conclude with a discussion of this phenomenon and potential directions for further research.

math.NA↗

arXiv2022

A fast, high-order numerical method for the simulation of single-excitation states in quantum optics

We consider the numerical solution of a nonlocal partial differential equation which models the process of collective spontaneous emission in a two-level atomic system containing a single photon. We reformulate the problem as an integro-differential equation for the atomic degrees of freedom, and describe an efficient solver for the case of a Gaussian atomic density. The problem of history dependence arising from the integral formulation is addressed using sum-of-exponentials history compression. We demonstrate the solver on two systems of physical interest: in the first, an initially-excited atom decays into a photon by spontaneous emission, and in the second, a photon pulse is used to an excite an atom, which then decays.

math.NA↗

arXiv2021

Analysis of single-excitation states in quantum optics

In this paper we analyze the dynamics of single-excitation states, which model the scattering of a single photon from multiple two level atoms. For short times and weak atom-field couplings we show that the atomic amplitudes are given by a sum of decaying exponentials, where the decay rates and Lamb shifts are given by the poles of a certain analytic function. This result is a refinement of the "pole approximation" appearing in the standard Wigner-Weisskopf analysis of spontaneous emission. On the other hand, at large times, the atomic field decays like $O(1/t^3)$ with a known constant expressed in terms of the coupling parameter and the resonant frequency of the atoms. Moreover, we show that for stronger coupling, the solutions also feature a collection of oscillatory exponentials which dominate the behavior at long times. Finally, we extend the analysis to the continuum limit in which atoms are distributed according to a given density.

math-ph↗

arXiv2021

Debye source representation for type-I superconductors, I

In this note, we analyze the classical magneto-static approach to the theory of type I superconductors, and a Debye source representation that can be used numerically to solve the resultant equations. We also prove that one of the fields, $\boldsymbol{J}^-$, found within the superconductor via the London equations, is the physical current in that the outgoing part of the magnetic field is given as the Biot-Savart integral of $\boldsymbol{J}^{-}$. Finally, we compute the static currents for moderate values of London penetration depth, $λ_L,$ for a sphere, a stellarator-like geometry and a two-holed torus.

math.NA↗

arXiv2021

Multifrequency inverse obstacle scattering with unknown impedance boundary conditions using recursive linearization

We consider the reconstruction of the shape and the impedance function of an obstacle from measurements of the scattered field at receivers outside the object. The data is assumed to be generated by plane waves impinging on the obstacle from multiple directions and at multiple frequencies. This inverse problem is reformulated as the optimization problem of finding band-limited shape and impedance functions which minimize the $L^2$ distance between the computed value of the scattered field at the receivers and the data. The optimization problem is non-linear, non-convex, and ill-posed. Moreover, the objective function is computationally expensive to evaluate. The recursive linearization approach (RLA) proposed by Chen has been successful in addressing these issues in the context of recovering the sound speed of a domain or the shape of a sound-soft obstacle. We present an extension of the RLA for the recovery of both the shape and impedance functions. The RLA is a continuation method in frequency where a sequence of single frequency inverse problems is solved. At each higher frequency, one attempts to recover incrementally higher resolution features using a step assumed to be small enough to ensure that the initial guess obtained at the preceding frequency lies in the basin of attraction for Newton's method at the new frequency. We demonstrate the effectiveness of the method with several numerical examples. Surprisingly, we find that one can recover the shape with high accuracy even when the measurements are from sound-hard or sound-soft objects. While the method is effective in obtaining high quality reconstructions for complicated geometries and impedance functions, a number of interesting open questions remain. We present numerical experiments that suggest underlying mechanisms of success and failure, showing areas where improvements could help lead to robust and automatic tools.

math.NA↗

arXiv2021

Fast multipole methods for evaluation of layer potentials with locally-corrected quadratures

While fast multipole methods (FMMs) are in widespread use for the rapid evaluation of potential fields governed by the Laplace, Helmholtz, Maxwell or Stokes equations, their coupling to high-order quadratures for evaluating layer potentials is still an area of active research. In three dimensions, a number of issues need to be addressed, including the specification of the surface as the union of high-order patches, the incorporation of accurate quadrature rules for integrating singular or weakly singular Green's functions on such patches, and their coupling to the oct-tree data structures on which the FMM separates near and far field interactions. Although the latter is straightforward for point distributions, the near field for a patch is determined by its physical dimensions, not the distribution of discretization points on the surface. Here, we present a general framework for efficiently coupling locally corrected quadratures with FMMs, relying primarily on what are called generalized Gaussian quadratures rules, supplemented by adaptive integration. The approach, however, is quite general and easily applicable to other schemes, such as Quadrature by Expansion (QBX). We also introduce a number of accelerations to reduce the cost of quadrature generation itself, and present several numerical examples of acoustic scattering that demonstrate the accuracy, robustness, and computational efficiency of the scheme. On a single core of an Intel i5 2.3GHz processor, a Fortran implementation of the scheme can generate near field quadrature corrections for between 1000 and 10,000 points per second, depending on the order of accuracy and the desired precision. A Fortran implementation of the algorithm described in this work is available at https://gitlab.com/fastalgorithms/fmm3dbie.

math.NA↗

arXiv2020

Recovering missing data in coherent diffraction imaging

In coherent diffraction imaging (CDI) experiments, the intensity of the scattered wave impinging on an object is measured on an array of detectors. This signal can be interpreted as the square of the modulus of the Fourier transform of the unknown scattering density. A beam-stop obstructs the forward scattered wave and, hence, the modulus Fourier data from a neighborhood of k=0 cannot be measured. In this note, we describe a linear method for recovering this unmeasured modulus Fourier data from the measured values and an estimate of the support of the image's autocorrelation function without consideration of phase retrieval. We analyze the conditioning of this problem, which grows exponentially with the modulus of the maximum spatial frequency not measured, and the effects of noise.

math.NA↗

arXiv2020

On the solution of Laplace's equation in the vicinity of triple-junctions

In this paper we characterize the behavior of solutions to systems of boundary integral equations associated with Laplace transmission problems in composite media consisting of regions with polygonal boundaries. In particular we consider triple junctions, i.e. points at which three distinct media meet. We show that, under suitable conditions, solutions to the boundary integral equations in the vicinity of a triple junction are well-approximated by linear combinations of functions of the form $t^β,$ where $t$ is the distance of the point from the junction and the powers $β$ depend only on the material properties of the media and the angles at which their boundaries meet. Moreover, we use this analysis to design efficient discretizations of boundary integral equations for Laplace transmission problems in regions with triple junctions and demonstrate the accuracy and efficiency of this algorithm with a number of examples.

math.NA↗

arXiv2020

On the discretization of Laplace's equation with Neumann boundary conditions on polygonal domains

In the present paper we describe a class of algorithms for the solution of Laplace's equation on polygonal domains with Neumann boundary conditions. It is well known that in such cases the solutions have singularities near the corners which poses a challenge for many existing methods. If the boundary data is smooth on each edge of the polygon, then in the vicinity of each corner the solution to the corresponding boundary integral equation has an expansion in terms of certain (analytically available) singular powers. Using the known behavior of the solution, universal discretizations have been constructed for the solution of the Dirichlet problem. However, the leading order behavior of solutions to the Neumann problem is $O(t^μ)$ for $μ\in (-1/2,0)$ depending on the angle at the corner (compared to $O(C+t^μ)$ with $μ>1/2$ for the Dirichlet problem); this presents a significant challenge in the design of universal discretizations. Our approach is based on using the discretization for the Dirichlet problem in order to compute a solution in the "weak sense" by solving an adjoint linear system; namely, it can be used to compute inner products with smooth functions accurately, but it cannot be interpolated. Furthermore we present a procedure to obtain accurate solutions arbitrarily close to the corner, by solving a sequence of small local subproblems in the vicinity of that corner. The results are illustrated with several numerical examples.

math.NA↗

arXiv2019

A fast boundary integral method for high-order multiscale mesh generation

In this work we present an algorithm to construct an infinitely differentiable smooth surface from an input consisting of a (rectilinear) triangulation of a surface of arbitrary shape. The original surface can have non-trivial genus and multiscale features, and our algorithm has computational complexity which is linear in the number of input triangles. We use a smoothing kernel to define a function $Φ$ whose level set defines the surface of interest. Charts are subsequently generated as maps from the original user-specified triangles to $\mathbb R^3$. The degree of smoothness is controlled locally by the kernel to be commensurate with the fineness of the input triangulation. The expression for~$Φ$ can be transformed into a boundary integral, whose evaluation can be accelerated using a fast multipole method. We demonstrate the effectiveness and cost of the algorithm with polyhedral and quadratic skeleton surfaces obtained from CAD and meshing software.

math.NA↗

arXiv2019

A boundary integral equation approach to computing eigenvalues of the Stokes operator

The eigenvalues and eigenfunctions of the Stokes operator have been the subject of intense analytical investigation and have applications in the study and simulation of the Navier-Stokes equations. As the Stokes operator is a fourth-order operator, computing these eigenvalues and the corresponding eigenfunctions is a challenging task, particularly in complex geometries and at high frequencies. The boundary integral equation (BIE) framework provides robust and scalable eigenvalue computations due to (a) the reduction in the dimension of the problem to be discretized and (b) the absence of high frequency "pollution" when using a Green's function to represent propagating waves. In this paper, we detail the theoretical justification for a BIE approach to the Stokes eigenvalue problem on simply and multiply-connected planar domains, which entails a treatment of the uniqueness theory for oscillatory Stokes equations on exterior domains. Then, using well-established techniques for discretizing BIEs, we present numerical results which confirm the analytical claims of the paper and demonstrate the efficiency of the overall approach.

math.NA↗

arXiv2018

A fluctuating boundary integral method for Brownian suspensions

We present a fluctuating boundary integral method (FBIM) for overdamped Brownian Dynamics (BD) of two-dimensional periodic suspensions of rigid particles of complex shape immersed in a Stokes fluid. We develop a novel approach for generating Brownian displacements that arise in response to the thermal fluctuations in the fluid. Our approach relies on a first-kind boundary integral formulation of a mobility problem in which a random surface velocity is prescribed on the particle surface, with zero mean and covariance proportional to the Green's function for Stokes flow (Stokeslet). This approach yields an algorithm that scales linearly in the number of particles for both deterministic and stochastic dynamics, handles particles of complex shape, achieves high order of accuracy, and can be generalized to three dimensions and other boundary conditions. We show that Brownian displacements generated by our method obey the discrete fluctuation-dissipation balance relation (DFDB). Based on a recently-developed Positively Split Ewald method [A. M. Fiore, F. Balboa Usabiaga, A. Donev and J. W. Swan, J. Chem. Phys., 146, 124116, 2017], near-field contributions to the Brownian displacements are efficiently approximated by iterative methods in real space, while far-field contributions are rapidly generated by fast Fourier-space methods based on fluctuating hydrodynamics. FBIM provides the key ingredient for time integration of the overdamped Langevin equations for Brownian suspensions of rigid particles. We demonstrate that FBIM obeys DFDB by performing equilibrium BD simulations of suspensions of starfish-shaped bodies using a random finite difference temporal integrator.

math.NA↗

arXiv2017

Efficient Algorithms for t-distributed Stochastic Neighborhood Embedding

t-distributed Stochastic Neighborhood Embedding (t-SNE) is a method for dimensionality reduction and visualization that has become widely popular in recent years. Efficient implementations of t-SNE are available, but they scale poorly to datasets with hundreds of thousands to millions of high dimensional data-points. We present Fast Fourier Transform-accelerated Interpolation-based t-SNE (FIt-SNE), which dramatically accelerates the computation of t-SNE. The most time-consuming step of t-SNE is a convolution that we accelerate by interpolating onto an equispaced grid and subsequently using the fast Fourier transform to perform the convolution. We also optimize the computation of input similarities in high dimensions using multi-threaded approximate nearest neighbors. We further present a modification to t-SNE called "late exaggeration," which allows for easier identification of clusters in t-SNE embeddings. Finally, for datasets that cannot be loaded into the memory, we present out-of-core randomized principal component analysis (oocPCA), so that the top principal components of a dataset can be computed without ever fully loading the matrix, hence allowing for t-SNE of large datasets to be computed on resource-limited machines.

cs.LG↗