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Due to its favorable computational efficiency time-dependent (TD) density functional theory (DFT) enables the prediction of electronic spectra in a high-throughput manner across chemical space. Its predictions, however, can be quite…
Starting with some fundamental concepts, in this article we present the essential aspects of spectral methods and their applications to the numerical solution of Partial Differential Equations (PDEs). We start by using Lagrange and…
Learning accurate depth is essential to multi-view 3D object detection. Recent approaches mainly learn depth from monocular images, which confront inherent difficulties due to the ill-posed nature of monocular depth learning. Instead of…
High resolution galaxy spectra contain much information about galactic physics, but the high dimensionality of these spectra makes it difficult to fully utilize the information they contain. We apply variational autoencoders (VAEs), a…
TrueEBSD is an open-source MATLAB program for image alignment and spatial distortion correction of images and electron backscatter diffraction (EBSD) maps. We have re-implemented TrueEBSD as an add-on to MTEX, an established toolbox for…
In this article, we consider the sparse tensor singular value decomposition, which aims for dimension reduction on high-dimensional high-order data with certain sparsity structure. A method named Sparse Tensor Alternating Thresholding for…
When visualizing a high-dimensional dataset, dimension reduction techniques are commonly employed which provide a single 2-dimensional view of the data. We describe ENS-t-SNE: an algorithm for Embedding Neighborhoods Simultaneously that…
Analyzing complex experimental data with multiple parameters is challenging. We propose using Singular Value Decomposition (SVD) as an effective solution. This method, demonstrated through real experimental data analysis, surpasses…
This paper studies numerical integration over the unit sphere $ \mathbb{S}^2 \subset \mathbb{R}^{3} $ by using spherical $t$-design, which is an equal positive weights quadrature rule with polynomial precision $t$. We investigate two kinds…
In this article, we investigate inverse source problems for a wide range of PDEs of parabolic and hyperbolic types as well as time-fractional evolution equations by partial interior observation. Restricting the source terms to the form of…
The development of electron spin resonance (ESR) combined with scanning tunneling spectroscopy (STM) is undoubtedly one of the main experimental breakthroughs in surface science of the last decade thanks to joining the extraordinarily high…
Tensor decompositions are powerful tools for analyzing multi-dimensional data in their original format. Besides tensor decompositions like Tucker and CP, Tensor SVD (t-SVD) which is based on the t-product of tensors is another extension of…
This paper puts forward a new generalized polynomial dimensional decomposition (PDD), referred to as GPDD, comprising hierarchically ordered measure-consistent multivariate orthogonal polynomials in dependent random variables. Unlike the…
Stochastic gradient descent (SGD) is the workhorse of large-scale learning, yet classical analyses rely on assumptions that can be either too strong (bounded variance) or too coarse (uniform noise). The expected smoothness (ES) condition…
This paper addresses the issue of policy evaluation in Markov Decision Processes, using linear function approximation. It provides a unified view of algorithms such as TD(lambda), LSTD(lambda), iLSTD, residual-gradient TD. It is asserted…
We present a simple yet novel parameterized form of linear mapping to achieves remarkable network compression performance: a pseudo SVD called Ternary SVD (TSVD). Unlike vanilla SVD, TSVD limits the $U$ and $V$ matrices in SVD to ternary…
Distributions measured in high energy physics experiments are usually distorted and/or transformed by various detector effects. A regularization method for unfolding these distributions is re-formulated in terms of the Singular Value…
Two-dimensional coherent spectroscopy (2DCS) with terahertz radiation offers a promising new avenue for the exploration of many-body phenomena in quantum magnets. This includes the potential diagnosis of fractionalized excitations, for…
Higher-order singular value decomposition (HOSVD) is an efficient way for data reduction and also eliciting intrinsic structure of multi-dimensional array data. It has been used in many applications, and some of them involve incomplete…
In this paper we study the structure of solutions of the one dimensional weighted total variation regularisation problem, motivated by its application in signal recovery tasks. We study in depth the relationship between the weight function…