Related papers: Projector augmented-wave method: an analysis in a …
First-principles molecular dynamics simulations based on density-functional theory and the projector augmented wave (PAW) technique have been used to study the structural and dynamical properties of liquid iron under Earth's core…
The study of high-dimensional differential equations is challenging and difficult due to the analytical and computational intractability. Here, we improve the speed of waveform relaxation (WR), a method to simulate high-dimensional…
We propose a new machine-learning-based anomaly detection strategy for comparing data with a background-only reference (a form of weak supervision). The sensitivity of previous strategies degrades significantly when the signal is too rare…
Photoacoustic imaging (PAI) suffers from inherent limitations that can degrade the quality of reconstructed results, such as noise, artifacts and incomplete data acquisition caused by sparse sampling or partial array detection. In this…
In this paper, a new simple but yet efficient spectral expression of the frequency-limited H2-norm, denoted H2w-norm, is introduced. The proposed new formulation requires the computation of the system eigenvalues and eigenvectors only, and…
Beamforming in plane-wave imaging (PWI) is an essential step in creating images with optimal quality. Adaptive methods estimate the apodization weights from echo traces acquired by several transducer elements. Herein, we formulate…
Learning vector autoregressive models from multivariate time series is conventionally approached through least squares or maximum likelihood estimation. These methods typically assume a fully connected model which provides no direct insight…
Various applications involve assigning discrete label values to a collection of objects based on some pairwise noisy data. Due to the discrete---and hence nonconvex---structure of the problem, computing the optimal assignment (e.g.~maximum…
We present a novel approach to the problem of dual-functional radar and communication (DFRC) waveform design with adjustable peak-to-average power ratio (PAPR), while minimizing the multi-user communication interference and maintaining a…
Eigensolvers involving complex moments can determine all the eigenvalues in a given region in the complex plane and the corresponding eigenvectors of a regular linear matrix pencil. The complex moment acts as a filter for extracting…
In this paper, we consider the operator properties of various phononic eigenvalue problems. We aim to answer some fundamental questions about the eigenvalues and eigenvectors of phononic operators. These include questions about the…
We present a numerical method for computing the solution of a partial differential equation (PDE) for modeling acoustic pressure, known as an extra-wide angle parabolic equation, that features the square root of a differential operator. The…
H-wave is an open-source software package for performing the Hartree--Fock approximation (HFA) and random phase approximation (RPA) for a wide range of Hamiltonians of interacting fermionic systems. In HFA calculations, H-wave examines the…
We study high-dimensional two-sample mean comparison and address the curse of dimensionality through data-adaptive projections. Leveraging the low-dimensional and localized signal structures commonly seen in single-cell genomics data, our…
A new method to solve the Dirac equation on a 3D lattice is proposed, in which the variational collapse problem is avoided by the inverse Hamiltonian method and the fermion doubling problem is avoided by performing spatial derivatives in…
In this article, we study eigenvalue problems associated to self-adjoint operators and their approximation obtained by subspace projection, as used in the reduced basis method for instance. We provide error bounds between the exact…
Pseudo-arclength continuation is a well-established method for generating a numerical curve approximating the solution of an underdetermined system of nonlinear equations. It is an inherently sequential predictor-corrector method in which…
This study aims at examination of the lower-order spectral moments in collision-induced absorption (CIA), taking the translational He-Ar band as an example. General quantum corrections for the zeroth and first spectral moments are derived…
Consider the optimal subspace expansion problem for the matrix eigenvalue problem $Ax=\lambda x$: Which vector $w$ in the current subspace $\mathcal{V}$, after multiplied by $A$, provides an optimal subspace expansion for approximating a…
When using Wannier functions to study the electronic structure of multi-parameter Hamiltonians $H^{(\boldsymbol k,\bf \lambda)}$ carrying a dependence on crystal momentum $\boldsymbol k$ and an additional periodic parameter $\bf\lambda$,…