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The precise theoretical determination of the geometrical parameters of molecules at the minima of their potential energy surface and of the corresponding vibrational properties are of fundamental importance for the interpretation of…

Strongly Correlated Electrons · Physics 2013-06-19 Andrea Zen , Delyan Zhelyazov , Leonardo Guidoni

Multipactor is a nonlinear electron avalanche phenomenon that can severely impair the performance of high-power radio frequency (RF) devices and accelerator systems. Accurate prediction of multipactor susceptibility across different…

Accelerator Physics · Physics 2025-07-25 Asif Iqbal , John Verboncoeur , Peng Zhang

We propose extensions and improvements of the statistical analysis of distributed multipoles (SADM) algorithm put forth by Chipot et al. in [6] for the derivation of distributed atomic multipoles from the quantum-mechanical electrostatic…

Numerical Analysis · Mathematics 2010-07-28 Nicolas Champagnat , Christophe Chipot , Erwan Faou

Constructing surrogate models for uncertainty quantification (UQ) on complex partial differential equations (PDEs) having inherently high-dimensional $\mathcal{O}(10^{\ge 2})$ stochastic inputs (e.g., forcing terms, boundary conditions,…

Machine Learning · Computer Science 2022-05-27 Katiana Kontolati , Dimitrios Loukrezis , Dimitris G. Giovanis , Lohit Vandanapu , Michael D. Shields

This paper presents a novel algorithm that leverages Stochastic Gradient Descent strategies in conjunction with Random Features to augment the scalability of Conic Particle Gradient Descent (CPGD) specifically tailored for solving sparse…

Optimization and Control · Mathematics 2025-09-05 Yohann De Castro , Sébastien Gadat , Clément Marteau

In this article, a globally convergent sequential quadratic programming (SQP) method is developed for multi-objective optimization problems with inequality type constraints. A feasible descent direction is obtained using a linear…

Optimization and Control · Mathematics 2020-05-20 Md Abu Talhamainuddin Ansary , Geetanjali Panda

In this work, we study a random orthogonal projection based least squares estimator for the stable solution of a multivariate nonparametric regression (MNPR) problem. More precisely, given an integer $d\geq 1$ corresponding to the dimension…

Statistics Theory · Mathematics 2022-02-04 Asma BenSaber , Sophie Dabo-Niang , Abderrazek Karoui

We propose a new method for statistical inference in generalized linear models. In the overparameterized regime, Principal Component Regression (PCR) reduces variance by projecting high-dimensional data to a low-dimensional principal…

Machine Learning · Statistics 2026-04-27 Yixuan Florence Wu , Yilun Zhu , Lei Cao , Naichen Shi

The success of algorithms in the analysis of high-dimensional data is often attributed to the manifold hypothesis, which supposes that this data lie on or near a manifold of much lower dimension. It is often useful to determine or estimate…

Machine Learning · Statistics 2024-09-10 Anna C. Gilbert , Kevin O'Neill

In this paper, a novel and generic multi-objective design paradigm is proposed which utilizes quantum-behaved PSO(QPSO) for deciding the optimal configuration of the LQR controller for a given problem considering a set of competing…

Neural and Evolutionary Computing · Computer Science 2016-07-05 Kaveh Hassani , Won-Sook Lee

Performing efficient quantum computer tuneup and calibration is essential for growth in system complexity. In this work we explore the link between facilitating such capabilities and the underlying architecture of the physical hardware. We…

Quantum Physics · Physics 2020-10-27 Riddhi S. Gupta , Luke C. G. Govia , Michael J. Biercuk

We consider the problem of estimating multiple principal components using the recently-proposed Sparse and Functional Principal Components Analysis (SFPCA) estimator. We first propose an extension of SFPCA which estimates several principal…

Machine Learning · Statistics 2020-12-10 Michael Weylandt

Panel-based, kernel-split quadrature is currently one of the most efficient methods available for accurate evaluation of singular and nearly singular layer potentials in two dimensions. However, it can fail completely for the layer…

Numerical Analysis · Mathematics 2021-08-04 Fredrik Fryklund , Ludvig af Klinteberg , Anna-Karin Tornberg

This paper proposes a novel approach for uncertainty quantification in dense Conditional Random Fields (CRFs). The presented approach, called Perturb-and-MPM, enables efficient, approximate sampling from dense multi-label CRFs via random…

Computer Vision and Pattern Recognition · Computer Science 2017-03-03 Raphael Meier , Urspeter Knecht , Alain Jungo , Roland Wiest , Mauricio Reyes

We study time harmonic acoustic scattering on large deviation rough random scatterers. Therein, the roughness of the scatterers is caused by a low Sobolev regularity in the covariance function of their deformation field. The motivation for…

Numerical Analysis · Mathematics 2023-11-22 Jürgen Dölz , Wei Huang , Michael Multerer

This study aims to improve the spatial representation of uncertainties when regressing surface wind speeds from large-scale atmospheric predictors for sub-seasonal forecasting. Sub-seasonal forecasting often relies on large-scale…

Machine Learning · Computer Science 2025-10-21 Ganglin Tian , Anastase Alexandre Charantonis , Camille Le Coz , Alexis Tantet , Riwal Plougonven

Determining the optimal cost function parameters of Model Predictive Control (MPC) to optimize multiple control objectives is a challenging and time-consuming task. Multiobjective Bayesian Optimization (BO) techniques solve this problem by…

Robotics · Computer Science 2024-02-06 Baha Zarrouki , Marios Spanakakis , Johannes Betz

Parameterized quantum circuits (PQCs) are ubiquitous in the design of hybrid quantum-classical algorithms. In this work, we propose an interpolation-based coordinate descent (ICD) method to address the parameter optimization problem in…

Quantum Physics · Physics 2026-01-14 Zhijian Lai , Jiang Hu , Taehee Ko , Jiayuan Wu , Dong An

Frequency recovery/estimation from discrete samples of superimposed sinusoidal signals is a classic yet important problem in statistical signal processing. Its research has recently been advanced by atomic norm techniques which exploit…

Information Theory · Computer Science 2016-05-31 Zai Yang , Lihua Xie

Panel-based, kernel-split quadrature is currently one of the most efficient methods available for accurate evaluation of singular and nearly singular layer potentials in two dimensions. However, it can fail completely for the layer…

Numerical Analysis · Mathematics 2022-01-20 Fredrik Fryklund , Ludvig af Klinteberg , Anna-Karin Tornberg