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Nuclear quantum effects (NQEs) play an essential role in many atomistic systems, yet their explicit inclusion in molecular simulations remains challenging. Path-integral molecular dynamics (PIMD) provides a rigorous framework for…
Context. Spectroscopy of exoplanets is very challenging because of the high star-planet contrast. A technical difficulty in the design of imaging instruments is the noncommon path aberrations (NCPAs) between the adaptive optics (AO) sensing…
We consider the numerical approximation of the filtering problem in high dimensions, that is, when the hidden state lies in $\mathbb{R}^d$ with $d$ large. For low dimensional problems, one of the most popular numerical procedures for…
We study high-dimensional sparse estimation tasks in a robust setting where a constant fraction of the dataset is adversarially corrupted. Specifically, we focus on the fundamental problems of robust sparse mean estimation and robust sparse…
We propose a new algorithm for the fast solution of large, sparse, symmetric positive-definite linear systems, spaND -- sparsified Nested Dissection. It is based on nested dissection, sparsification and low-rank compression. After…
In this paper the problem of consistency of smoothed particle hydrodynamics (SPH) is solved. A novel error analysis is developed in $n$-dimensional space using the Poisson summation formula, which enables the treatment of the kernel and…
Given a source of iid samples of edges of an input graph $G$ with $n$ vertices and $m$ edges, how many samples does one need to compute a constant factor approximation to the maximum matching size in $G$? Moreover, is it possible to obtain…
Popular clustering algorithms based on usual distance functions (e.g., Euclidean distance) often suffer in high dimension, low sample size (HDLSS) situations, where concentration of pairwise distances has adverse effects on their…
Propensity score matching is a common tool for adjusting for observed confounding in observational studies, but is known to have limitations in the presence of unmeasured confounding. In many settings, researchers are confronted with…
Sphere packing, Hilbert's eighteenth problem, asks for the densest arrangement of congruent spheres in n-dimensional Euclidean space. Although relevant to areas such as cryptography, crystallography, and medical imaging, the problem remains…
One of the outstanding analytical problems in X-ray single particle imaging (SPI) is the classification of structural heterogeneity, which is especially difficult given the low signal-to-noise ratios of individual patterns and that even…
Random sequential addition (RSA) models are used in a large variety of contexts to model particle aggregation and jamming. A key feature of these models is the algebraic time dependence of the asymptotic jamming coverage as $t\to\infty$.…
The consistency condition is tested within the particle-particle random-phase approximation (RPA), renormalized RPA (RRPA) and the self-consistent RPA (SCRPA) making use of the Richardson model of pairing. The two-particle separation energy…
Non-destructive 3D imaging of large multi-particulate samples is essential for quantifying particle-level properties, such as size, shape, and spatial distribution, across applications in mining, materials science, and geology. However,…
This paper considers the well-studied algorithmic regime of designing a $(1+\epsilon)$-approximation algorithm for a $k$-clustering problem that runs in time $f(k,\epsilon)poly(n)$ (sometimes called an efficient parameterized approximation…
In this article, we consider the Euclidean dispersion problems. Let $P=\{p_{1}, p_{2}, \ldots, p_{n}\}$ be a set of $n$ points in $\mathbb{R}^2$. For each point $p \in P$ and $S \subseteq P$, we define $cost_{\gamma}(p,S)$ as the sum of…
This paper proposes and analyzes a gradient-type algorithm based on Burer-Monteiro factorization, called the Asymmetric Projected Gradient Descent (APGD), for reconstructing the point set configuration from partial Euclidean distance…
This paper deals with the numerical approximation of semilinear parabolic stochastic partial differential equation (SPDE) driven simultaneously by Gaussian noise and Poisson random measure, more realistic in modeling real world phenomena.…
Atomic cluster expansion (ACE) methods provide a systematic way to describe particle local environments of arbitrary body order. For practical applications it is often required that the basis of cluster functions be symmetrized with respect…
We study the problem of list-decodable sparse mean estimation. Specifically, for a parameter $\alpha \in (0, 1/2)$, we are given $m$ points in $\mathbb{R}^n$, $\lfloor \alpha m \rfloor$ of which are i.i.d. samples from a distribution $D$…