Related papers: Fully Automated Adaptive Parameter Selection for 3…
We propose a quasi-Newton-type method for nonconvex optimization with Lipschitz continuous gradients and Hessians. The algorithm finds an $\varepsilon$-stationary point within $\tilde{\mathrm{O}}(d^{1/4} \varepsilon^{-13/8})$ gradient…
Physics-informed neural networks (PINNs) is becoming a popular alternative method for solving partial differential equations (PDEs). However, they require dedicated manual modifications to the hyperparameters of the network, the sampling…
We introduce a Three-Dimensional Convolutional Variational Autoencoder (3D-CVAE) for automated anomaly detection in Electron Energy Loss Spectroscopy Spectrum Imaging (EELS-SI) data. Our approach leverages the full three-dimensional…
The Poisson-Boltzmann equation is widely used to model molecular electrostatics; however, it is usually solved in linearised form because the sinh nonlinearity is challenging, limiting its applicability in highly charged systems such as…
We propose a novel algorithm based on inexact GMRES methods for linear response calculations in density functional theory. Such calculations require iteratively solving a nested linear problem $\mathcal{E} \delta\rho = b$ to obtain the…
This paper studies the PML method for wave scattering in a half space of homogeneous medium bounded by a two-dimensional, perfectly conducting, and locally defected periodic surface, and develops a high-accuracy boundary-integral-equation…
We study a self-similar solution of the kinetic equation describing weak wave turbulence in Bose-Einstein condensates. This solution presumably corresponds to an asymptotic behavior of a spectrum evolving from a broad class of initial data,…
We consider infinite-dimensional Bayesian linear inverse problems governed by time-dependent partial differential equations (PDEs) and develop a mathematical and computational framework for optimal design of mobile sensor paths in this…
We consider the one-dimensional squared Bessel process given by the stochastic differential equation (SDE) \begin{align*} dX_t = 1\,dt + 2\sqrt{X_t}\,dW_t, \quad X_0=x_0, \quad t\in[0,1], \end{align*} and study strong (pathwise)…
In this paper, we develop and analyze a trilinear immersed finite element method for solving three-dimensional elliptic interface problems. The proposed method can be utilized on interface-unfitted meshes such as Cartesian grids consisting…
We propose a high-precision numerical quadrature framework based on local Fourier extension (LFE) approximations. The method constructs, on each subinterval, a truncated-SVD stabilized local Fourier continuation of the integrand on an…
The automated finite element analysis of complex CAD models using boundary-fitted meshes is rife with difficulties. Immersed finite element methods are intrinsically more robust but usually less accurate. In this work, we introduce an…
We present a new algorithm for finding isolated zeros of a system of real-valued functions in a bounded interval in $\mathbb{R}^n$. It uses the Chebyshev proxy method combined with a mixture of subdivision, reduction methods, and…
We derive an effective nonpolynomial Schrodinger equation (NPSE) for self-repulsive or attractive BEC in the nearly-1D cigar-shaped trap, with the transverse confining frequency periodically modulated along the axial direction. Besides the…
The optimisation of nonsmooth, nonconvex functions without access to gradients is a particularly challenging problem that is frequently encountered, for example in model parameter optimisation problems. Bilevel optimisation of parameters is…
Computer models, aiming at simulating a complex real system, are often calibrated in the light of data to improve performance. Standard calibration methods assume that the optimal values of calibration parameters are invariant to the model…
In a recent work, we analyzed a weighted-residual error estimator for isogeometric boundary element methods in 2D and proposed an adaptive algorithm which steers the local mesh-refinement of the underlying partition as well as the…
We introduce a new procedure for iterative selection of determinant spaces capable of describing highly correlated systems. This adaptive configuration interaction (ACI) determines an optimal basis by an iterative procedure in which the…
We derive a new adaptive leverage score sampling strategy for solving the Column Subset Selection Problem (CSSP). The resulting algorithm, called Adaptive Randomized Pivoting, can be viewed as a randomization of Osinsky's recently proposed…
Polymeric nano- and micro-scale particles have critical roles in tackling critical healthcare and energy challenges with their miniature characteristics. However, tailoring their synthesis process to meet specific design targets has…