English
Related papers

Related papers: A Novel Stretch Energy Minimization Algorithm for …

200 papers

We propose a method that exploits sparse representation of potential energy surfaces (PES) on a polynomial basis set selected by compressed sensing. The method is useful for studies involving large numbers of PES evaluations, such as the…

Chemical Physics · Physics 2018-08-10 Prashant Rai , Khachik Sargsyan , Habib Najm , So Hirata

One of the major issues in the computational mechanics is to take into account the geometrical complexity. To overcome this difficulty and to avoid the expensive mesh generation, geometrically unfitted methods, i.e. the numerical methods…

Numerical Analysis · Mathematics 2021-10-12 Stephane Cotin , Michel Duprez , Vanessa Lleras , Alexei Lozinski , Killian Vuillemot

Theoretical design of global optimization algorithms can profitably utilize recent statistical mechanical treatments of potential energy surfaces (PES's). Here we analyze a particular method to explain its success in locating global minima…

Statistical Mechanics · Physics 2008-02-03 Jonathan Doye , David Wales

We propose a simple scheme to estimate potential energy surface (PES) with which the accuracy can be easily controlled and improved up to the level of the density functional theory (DFT) calculations. It is based on a model selection within…

Materials Science · Physics 2014-07-11 Atsuto Seko , Akira Takahashi , Isao Tanaka

Image-level weakly supervised semantic segmentation is a challenging problem that has been deeply studied in recent years. Most of advanced solutions exploit class activation map (CAM). However, CAMs can hardly serve as the object mask due…

Computer Vision and Pattern Recognition · Computer Science 2020-04-10 Yude Wang , Jie Zhang , Meina Kan , Shiguang Shan , Xilin Chen

Sharpness-aware minimization (SAM) was proposed to reduce sharpness of minima and has been shown to enhance generalization performance in various settings. In this work we show that perturbing only the affine normalization parameters…

Machine Learning · Computer Science 2023-11-20 Maximilian Mueller , Tiffany Vlaar , David Rolnick , Matthias Hein

The design and optimization of Reconfigurable Intelligent Surfaces (RISs) are key challenges for future wireless communication systems. RISs are devices that can manipulate electromagnetic (EM) waves in a programmable way, thus enhancing…

Edge-preserving smoothing (EPS) can be formulated as minimizing an objective function that consists of data and prior terms. This global EPS approach shows better smoothing performance than a local one that typically has a form of weighted…

Computer Vision and Pattern Recognition · Computer Science 2016-04-27 Youngjung Kim , Dongbo Min , Bumsub Ham , Kwanghoon Sohn

In this paper, we presented an efficient algorithm to implement the regularization reconstruction of SPECT. Image reconstruction with priori assumptions is usually modeled as a constrained optimization problem. However, there is no…

Optimization and Control · Mathematics 2013-06-07 Shousheng Luo , Tie Zhou

The Expectation--Maximization (EM) algorithm is a simple meta-algorithm that has been used for many years as a methodology for statistical inference when there are missing measurements in the observed data or when the data is composed of…

Machine Learning · Statistics 2022-11-15 Hideitsu Hino , Shotaro Akaho , Noboru Murata

Finite element approximations of minimal surface are not always precise. They can even sometimes completely collapse. In this paper, we provide a simple and inexpensive method, in terms of computational cost, to improve finite element…

Numerical Analysis · Mathematics 2018-05-18 Aymeric Grodet , Takuya Tsuchiya

Feature matching is a crucial task in the field of computer vision, which involves finding correspondences between images. Previous studies achieve remarkable performance using learning-based feature comparison. However, the pervasive…

Computer Vision and Pattern Recognition · Computer Science 2024-06-18 Yesheng Zhang , Xu Zhao

Partial differential equations can be solved on general polygonal and polyhedral meshes, through Polytopal Element Methods (PEMs). Unfortunately, the relation between geometry and analysis is still unknown and subject to ongoing research in…

Computational Geometry · Computer Science 2022-11-23 Daniela Cabiddu , Giuseppe Patanè , Michela Spagnuolo

In this paper, we develop semi-external and external memory algorithms for graph partitioning and clustering problems. Graph partitioning and clustering are key tools for processing and analyzing large complex networks. We address both…

Data Structures and Algorithms · Computer Science 2014-09-24 Yaroslav Akhremtsev , Peter Sanders , Christian Schulz

Extremal optimization is a new general-purpose method for approximating solutions to hard optimization problems. We study the method in detail by way of the NP-hard graph partitioning problem. We discuss the scaling behavior of extremal…

Statistical Mechanics · Physics 2009-11-07 S. Boettcher , A. G. Percus

In the last few decades, several novel algorithms have been designed for finding critical points on PES and the minimum energy paths connecting them. This has led to considerably improve our understanding of reaction mechanisms and kinetics…

Computational Engineering, Finance, and Science · Computer Science 2024-10-30 Sandra Liz Simon , Nitin Kaistha , Vishal Agarwal

The EM algorithm is a method for finding the maximum likelihood estimate of a model in the presence of missing data. Unfortunately, EM does not produce a parameter covariance matrix for standard errors. Supplemented EM (SEM; Meng & Rubin,…

Computation · Statistics 2016-05-04 Joshua N. Pritikin

Low-energy electron microscopy (LEEM) is a surface science method that works primarily in the UHV environment. It provides information complementary to the other established techniques: it extends the limited view of scanning probe…

Mesoscale and Nanoscale Physics · Physics 2025-07-16 Jan Čechal , Pavel Procházka

There is growing interest in lowering the energy consumption of computation. Energy transparency is a concept that makes a program's energy consumption visible from software to hardware through the different system layers. Such transparency…

Programming Languages · Computer Science 2015-10-27 Kyriakos Georgiou , Steve Kerrison , Kerstin Eder

Finding optimal solutions to combinatorial optimization problems is pivotal in both scientific and technological domains, within academic research and industrial applications. A considerable amount of effort has been invested in the…

Statistical Mechanics · Physics 2024-12-13 Zi-Song Shen , Feng Pan , Yao Wang , Yi-Ding Men , Wen-Biao Xu , Man-Hong Yung , Pan Zhang