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We develop error estimates for the semi-discrete conservative spectral method for the approximation of the elastic and inelastic space homogeneous Boltzmann equation introduced by the authors in \cite{GT09}. In addition we study the long…

数值分析 · 数学 2019-06-21 Ricardo J. Alonso , Irene M. Gamba , Sri Harsha Tharkabhushanam

Constrained blackbox optimization is a difficult problem, with most approaches coming from the mathematical programming literature. The statistical literature is sparse, especially in addressing problems with nontrivial constraints. This…

Maximizing the Kullback-Leibler divergence (KLD) is a fundamental problem in waveform design for active sensing and hypothesis testing, as it directly relates to the error exponent of detection probability. However, the associated…

信号处理 · 电气工程与系统科学 2026-01-05 Jeongwoo Park , Seongkyu Jung , Kaiming Shen , Jeonghun Park

Differential Dynamic Programming (DDP) has become a well established method for unconstrained trajectory optimization. Despite its several applications in robotics and controls however, a widely successful constrained version of the…

最优化与控制 · 数学 2020-05-05 Yuichiro Aoyama , George Boutselis , Akash Patel , Evangelos A. Theodorou

This paper introduces Tempered Fractional Gradient Descent (TFGD), a novel optimization framework that synergizes fractional calculus with exponential tempering to enhance gradient-based learning. Traditional gradient descent methods often…

机器学习 · 计算机科学 2025-04-29 Omar Naifar

Linear Mixed-Effects (LME) models are a fundamental tool for modeling correlated data, including cohort studies, longitudinal data analysis, and meta-analysis. Design and analysis of variable selection methods for LMEs is more difficult…

统计方法学 · 统计学 2022-05-17 Aleksei Sholokhov , James V. Burke , Damian F. Santomauro , Peng Zheng , Aleksandr Aravkin

We study policy optimization for infinite-horizon, discounted constrained Markov decision processes (CMDPs). While existing theoretical guarantees typically hold for the mixture policy, deploying such a policy is computationally and memory…

机器学习 · 计算机科学 2026-05-13 Michael Lu , Max Qiushi Lin , Mo Chen , Sharan Vaswani

Despite its widespread use in materials science, conventional molecular dynamics (MD) simulations are severely constrained by timescale limitations. To address this shortcoming, we propose an empirical formulation of accelerated MD method,…

材料科学 · 物理学 2025-12-10 Liang Wan , Qingsong Mei , Haowen Liu , Huafeng Zhang , Jun-Ping Du , Shigenobu Ogata , Wen Tong Geng

In this paper we analyze several inexact fast augmented Lagrangian methods for solving linearly constrained convex optimization problems. Mainly, our methods rely on the combination of excessive-gap-like smoothing technique developed in…

最优化与控制 · 数学 2015-05-14 Andrei Patrascu , Ion Necoara , Quoc Tran-Dinh

Molecular simulations in an open environment, involving ion exchange, are necessary to study various systems, from biosystems to confined electrolytes. However, grand-canonical simulations are often computationally demanding in condensed…

化学物理 · 物理学 2023-11-13 Jeongmi Kim , Luc Belloni , Benjamin Rotenberg

Stochastic gradient methods (SGMs) have been widely used for solving stochastic optimization problems. A majority of existing works assume no constraints or easy-to-project constraints. In this paper, we consider convex stochastic…

最优化与控制 · 数学 2022-01-03 Yonggui Yan , Yangyang Xu

Support vector machine (SVM) has proved to be a successful approach for machine learning. Two typical SVM models are the L1-loss model for support vector classification (SVC) and $\epsilon$-L1-loss model for support vector regression (SVR).…

最优化与控制 · 数学 2020-03-09 Yinqiao Yan , Qingna Li

This paper considers sparse linear discriminant analysis of high-dimensional data. In contrast to the existing methods which are based on separate estimation of the precision matrix $\O$ and the difference $\de$ of the mean vectors, we…

统计方法学 · 统计学 2011-07-19 Tony Cai , Weidong Liu

Molecular dynamics (MD) provides insights into atomic-scale processes by integrating over time the equations that describe the motion of atoms under the action of interatomic forces. Machine learning models have substantially accelerated MD…

化学物理 · 物理学 2026-01-26 Filippo Bigi , Sanggyu Chong , Agustinus Kristiadi , Michele Ceriotti

A parallel-in-time algorithm based on an augmented Lagrangian approach is proposed to solve four-dimensional variational (4D-Var) data assimilation problems. The assimilation window is divided into multiple sub-intervals that allows to…

数值分析 · 计算机科学 2016-04-20 Vishwas Rao , Adrian Sandu

This paper proposes a novel way to solve transient linear, and non-linear solid dynamics for compressible, nearly incompressible, and incompressible material in the updated Lagrangian framework for tetrahedral unstructured finite elements.…

数值分析 · 数学 2021-07-07 R. Nemer , A. Larcher , T. Coupez , E. Hachem

Optimization problems with convex quadratic cost and polyhedral constraints are ubiquitous in signal processing, automatic control and decision-making. We consider here an enlarged problem class that allows to encode logical conditions and…

最优化与控制 · 数学 2026-04-09 Alberto De Marchi

In this paper we propose and test the validity of simple and easy-to-implement algorithms within the immersed boundary framework geared towards large scale simulations involving thousands of deformable bodies in highly turbulent flows.…

计算物理 · 物理学 2018-09-26 Vamsi Spandan , Detlef Lohse , Marco D. de Tullio , Roberto Verzicco

By exploiting double-penalty terms for the primal subproblem, we develop a novel relaxed augmented Lagrangian method for solving a family of convex optimization problems subject to equality or inequality constraints. The method is then…

数值分析 · 数学 2025-06-16 Jianchao Bai , Linyuan Jia , Zheng Peng

Fourier acceleration has been successfully applied to the simulation of lattice field theories for more than a decade. In this paper, we extend the method to the dynamics of discrete particles moving in continuum. Although our method is…

统计力学 · 物理学 2009-10-31 Francis J. Alexander , Bruce M. Boghosian , Richard C. Brower , S. Roy Kimura