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Real-space refinement of atomic models in macromolecular crystallography or in cryo electron microscopy fits a model to a map obtained experimentally. This requires generating model maps of a limited resolution which moreover may vary from…

Computational Engineering, Finance, and Science · Computer Science 2022-06-22 Ludmila Urzhumtseva , Vladimir Y. Lunin , Alexandre Urzhumtsev

We provide a perfect sampling algorithm for the hard-sphere model on subsets of $\mathbb{R}^d$ with expected running time linear in the volume under the assumption of strong spatial mixing. A large number of perfect and approximate sampling…

Data Structures and Algorithms · Computer Science 2024-08-22 Konrad Anand , Andreas Göbel , Marcus Pappik , Will Perkins

As massive graphs become more prevalent, there is a rapidly growing need for scalable algorithms that solve classical graph problems, such as maximum matching and minimum vertex cover, on large datasets. For massive inputs, several…

Data Structures and Algorithms · Computer Science 2018-12-31 Sepehr Assadi , MohammadHossein Bateni , Aaron Bernstein , Vahab Mirrokni , Cliff Stein

We develop an all-hex meshing strategy for the interstitial space in beds of densely packed spheres that is tailored to turbulent flow simulations based on the spectral element method (SEM). The SEM achieves resolution through elevated…

Computational Engineering, Finance, and Science · Computer Science 2021-06-03 Yu-Hsiang Lan , Paul Fischer , Elia Merzari , Misun Min

With the development of 3D sensing technologies, point clouds have attracted increasing attention in a variety of applications for 3D object representation, such as autonomous driving, 3D immersive tele-presence and heritage reconstruction.…

Computer Vision and Pattern Recognition · Computer Science 2019-01-01 Junkun Qi , Wei Hu , Zongming Guo

The demand for inverse design is increasing as the ability to fabricate sub-10 nm features expands the design space by orders of magnitude. Efficient inverse design benefits from differentiable models of light-structure interaction. While…

We have employed Particle Swarm Optimization to address a stochastic variant of the Smallest Enclosing Sphere estimation problem. An efficient algorithm has been developed to ascertain the optimal center and radius of a sphere encompassing…

Optimization and Control · Mathematics 2024-01-01 Netzer Moriya

We give the first approximation algorithm for mixed packing and covering semidefinite programs (SDPs) with polylogarithmic dependence on width. Mixed packing and covering SDPs constitute a fundamental algorithmic primitive with recent…

Data Structures and Algorithms · Computer Science 2021-07-13 Arun Jambulapati , Yin Tat Lee , Jerry Li , Swati Padmanabhan , Kevin Tian

This paper addresses the problem of generating dense point clouds from given sparse point clouds to model the underlying geometric structures of objects/scenes. To tackle this challenging issue, we propose a novel end-to-end learning-based…

Computer Vision and Pattern Recognition · Computer Science 2022-03-30 Yue Qian , Junhui Hou , Sam Kwong , Ying He

Sparse approximation is important in many applications because of concise form of an approximant and good accuracy guarantees. The theory of compressed sensing, which proved to be very useful in the image processing and data sciences, is…

Numerical Analysis · Mathematics 2025-02-20 V. Temlyakov

This paper presents a hybrid algorithm that combines features form both Sqrt(3) and Loop Subdivision schemes. The algorithm aims at preserving sharp features and trim regions, during the surfaces subdivision, using a set of rules. The…

Computational Geometry · Computer Science 2014-02-11 Yasser M. Abd El-Latif

In this paper, we propose a unified algorithmic framework for solving many known variants of \mds. Our algorithm is a simple iterative scheme with guaranteed convergence, and is \emph{modular}; by changing the internals of a single…

Machine Learning · Computer Science 2010-03-31 Arvind Agarwal , Jeff M. Phillips , Suresh Venkatasubramanian

In the calculation of thermodynamic properties and three dimensional structures of macromolecules, such as proteins, it is important to have a good algorithm for computing solvent accessible surface area of macromolecules. Here we propose a…

Condensed Matter · Physics 2007-05-23 Shura Hayryan , Chin-Kun Hu , Jaroslav Skřivánek , Edik Hayryan , Imrich Pokorny

Modeling folding surfaces with nonzero thickness is of practical interest for mechanical engineering. There are many existing approaches that account for material thickness in folding applications. We propose a new systematic and broadly…

Computational Geometry · Computer Science 2016-01-22 Jason S. Ku , Erik D. Demaine

Finding dense subgraphs of a large graph is a standard problem in graph mining that has been studied extensively both for its theoretical richness and its many practical applications. In this paper we introduce a new family of dense…

Data Structures and Algorithms · Computer Science 2021-06-07 Nate Veldt , Austin R. Benson , Jon Kleinberg

Combining redshift and galaxy shape information offers new exciting ways of exploiting the gravitational lensing effect for studying the large scales of the cosmos. One application is the three-dimensional reconstruction of the matter…

Cosmology and Nongalactic Astrophysics · Physics 2015-05-13 Patrick Simon , Andy Taylor , Jan Hartlap

In rectangle packing problems we are given the task of placing axis-aligned rectangles in a given plane region, so that they do not overlap with each other. In Maximum Weight Independent Set of Rectangles (MWISR), their position is given…

Data Structures and Algorithms · Computer Science 2017-11-22 Salvatore Ingala

Nowadays, analysing data from different classes or over a temporal grid has attracted a great deal of interest. As a result, various multiple graphical models for learning a collection of graphical models simultaneously have been derived by…

Optimization and Control · Mathematics 2021-04-23 Ning Zhang , Yangjing Zhang , Defeng Sun , Kim-Chuan Toh

This paper aims to present a fairly accessible generalization of several symmetric Gauss-Seidel decomposition based multi-block proximal alternating direction methods of multipliers (ADMMs) for convex composite optimization problems. The…

Optimization and Control · Mathematics 2020-06-09 Liang Chen , Defeng Sun , Kim-Chuan Toh , Ning Zhang

We report a novel hybrid method of simultaneous atomistic simulation of solids in critical regions (contacts surfaces, cracks areas, etc.), along with continuum modeling of other parts. The continuum is treated in terms of quasi-atoms of…

Materials Science · Physics 2026-02-17 Artem Chuprov , Egor E. Nuzhin , Alexey A. Tsukanov , Nikolay V. Brilliantov