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A generic grid-based algorithm for computing the free volume in model macromolecules of complex architecture: Star polymers of different chemistry

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COMPUTATIONAL MATERIALS SCIENCE 2025年 253卷

作者： Gkolfi, Eirini Bacova, Petra Harmandaris, Vagelis Fdn Res & Technol Hellas FORTH Inst Appl & Computat Math IACM N Plastira 100 Iraklion 70013 Crete Greece Cyprus Inst Computat Based Sci & Technol Res Ctr 20 Constantinou Kavafi Str CY-2121 Nicosia Cyprus Univ Crete Dept Math & Appl Math Iraklion 71409 Crete Greece IMEYMAT Fac Ciencias Dept Ciencia Mat & Ingn Met & Quim Inorgan Campus Univ Rio San Pedro S-N Puerto Real 11510 Cadiz Spain

In this work, we introduce a grid-based algorithm for analyzing free volume in star-shaped polymer melts, which is applicable to any macromolecular nanostructured system of arbitrary architecture and chemistry. Then, using this algorithm, we uncover variations in free volume dependent on both architecture and chemistry between melts of polystyrene (PS) and poly(ethylene oxide) (PEO) star-shaped polymers. Architecture-based differences are elucidated by comparing melts of linear chains and stars with varying numbers of arms (f = 4, 8, 16,32) and arm length (N = 40, 80 monomers). By extending the free volume analysis to a local examination of the density of unoccupied grid points relative to the branch point of the stars, we highlight underlying differences in the intra- and inter-molecular packing of PS and PEO stars. The f-dependent region of low free volume in the vicinity of the branch point of PS stars underscores the tighter packing of PS stars compared to PEO, particularly for higher arm numbers. This detailed examination offers deeper insights into systematic studies of the linear-to-colloidal transition of these unique architectures, reaching nano-regions that are inaccessible via experimental or coarser-scale simulations. These findings complement our previous structural studies, which showed that PS arms pack more densely, being more extended and less spherical, than PEO, while PS forms a more compact and less penetrable molecule. In this way, we further advance our understanding of the factors that contribute to the soft character of star polymers and their potential for the development of new all-polymer nanostructure materials.

关键词： Free volume grid algorithm Atomistic simulations Star-shaped polymers Polymer melts

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Research on the Design and Implementation of Financial ERP System Based on grid algorithm 25

Research on the Design and Implementation of Financial ERP S...

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Proceedings of the 2025 4th International Conference on Big Data, Information and Computer Network

作者： Xinyue Zhang Zhe Yang Shuai Zhang Beiing China-Power Information Technology co. LTD Beijing China

ISBN: (纸本)9798400712425

Finance informatization is an important method that helps managers in companies to enhance the decision-making quality along with their efficiency. The finance ERP system enriched with the help of the grid algorithms facilitates data analytics and the following of funds, with the assistance of such computational resources, the status of which is that the deployment of computational resources is done effectively and the task scheduling model is efficient. During looking at these grid algorithms on a more detailed level, these are results that were obtained when classification methods such as dynamic scheduling algorithms and load balancing algorithms were performed, the ones of which can particularly be used for parallel and distributed computing along with a multitude of services or enhancing the financial system performance. An experiment's design included explicit environmental setups that were outlined and a myriad of test datasets, which facilitated the assessment of comparative efficiency. The response time and processing efficiency the ERP system achieves using grid algorithms are the main causes of enhanced system performance metrics (far beyond the traditional thresholds). Besides the smoothness and cost-effectiveness of the system, the new system will result in an economic advantage in the market for a design concept that also will provide enterprises with the outline of and help in the implementation of the system that will solve a variety of financial issues they face. The study result indicates refreshed views and suggestions for the future economic management, the result of which will be efficient financial decisions and better use of the resources.

关键词： grid algorithm

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A grid algorithm suitable for line and area feature label placement

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ENVIRONMENTAL EARTH SCIENCES 2016年第20期75卷 1-11页

作者： Wu, Changbin Ding, Yuan Zhou, Xinxin Lu, Guonian Nanjing Normal Univ Coll Geog Sci Nanjing 210023 Jiangsu Peoples R China Nanjing Normal Univ Minist Educ Key Lab Virtual Geog Environm Nanjing 210023 Jiangsu Peoples R China Jiangsu Ctr Collaborat Innovat Geog Informat Reso Nanjing 210023 Jiangsu Peoples R China

The labelling problem has been central in the framework of automated cartography. The quality and efficiency of label placement have great influences on the expression and understanding of maps. Although many algorithms have been developed to address the labelling problems of point features, very little work has been directed towards those of line or area features. Owing to the weakness of these approaches, the label quality rules of line or area features were reconsidered and strengthened based on the cognizance of cartographers. Such rules should be separate from the labelling algorithms to be appropriate for the program's flexibility. A new grid algorithm, in contrast to traditional vector-based methods, is proposed. For the line feature, the cells passed by a line are computed, and their parallel cells are selected as the bottom of the text. For the area feature, a maximal inclusive rectangle is searched for the numerical label of its corresponding polygon (area), the midpoint of which is considered the potential position. A test program was developed and shows that the algorithm is simple and appropriate. The efficiency of the algorithm is closely related to the cell density.

关键词： grid algorithm Label placement Rule database Cartographic cognition

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Classification and Applications of Randomized Functional Numerical algorithms for the Solution of Second-Kind Fredholm Integral Equations

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Journal of Mathematical Sciences (United States) 2021年第5期254卷 589-605页

作者： Voytishek, A.V. Institute of Computational Mathematics and Mathematical Geophysics Siberian Branch of the Russian Academy of Sciences Novosibirsk Russian Federation Novosibirsk State University Novosibirsk Russian Federation

Systematization of numerical randomized functional algorithms for approximation of solutions to second-kind Fredholm integral equation is performed in this paper. Three types of algorithms are emphasized: projection algorithms, grid algorithms, and projection-grid algorithms. Disadvantages of grid algorithms that require calculation of values of the kernel of integral equations at fixed points are revealed (practically, the kernels of equation have integrable singularities and this calculation is impossible). Thus, for applied problems related to the solution of second-kind Fredholm integral equations, projection or projection-grid randomized algorithms are more convenient. © 2021, Springer Science+Business Media, LLC, part of Springer Nature.

关键词： 45B05 65C05 65C40 computational kernel grid algorithm numerical solution projection algorithm randomized algorithm second-kind Fredholm integral equation

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A new algorithm that generates the image of the attractor of a generalized iterated function system

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NUMERICAL algorithmS 2020年第4期83卷 1399-1413页

作者： Miculescu, Radu Mihail, Alexandru Urziceanu, Silviu-Aurelian Transilvania Univ Brasov Fac Math & Comp Sci Iuliu Maniu St50 Brasov 500091 Romania Univ Bucharest Fac Math & Comp Sci Acad St 14 Bucharest 010014 Romania Univ Pitesti Fac Math & Comp Sci Targul Din Vale 1 Pitesti 110040 Arges Romania

We provide a new algorithm (called the grid algorithm) designed to generate the image of the attractor of a generalized iterated function system on a finite dimensional space and we compare it with the deterministic algorithm regarding generalized iterated function systems presented by Jaros et al. (Numer. algorithms 73, 477-499, 2016).

关键词： Generalized infinite iterated function system (GIFS) Attractor Deterministic algorithm grid algorithm

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The space buffer analysis based on grid algorithm

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2nd International Conference on Civil Engineering and Transportation (ICCET 2012)

作者： Xu Xu Wang PeiHua Shanghai Maritime Univ Inst Transportat Shanghai Peoples R China

ISBN: (纸本)9783037855645

Spatial analysis is the core of the space information system and the key function, and also one of evaluation a spatial information system function of the strength of the important index. Buffer analysis is the basic functions of spatial analysis on spatial information system, and is the basis of many space analysis methods. Buffer analysis is to point to identify a geographic entity or space objects on its surrounding of adjacent sex or the effect and in its built around a certain width of the strip area. In this paper, buffer area analysis of the spatial objects and grid theory are explained. On the basis of above, the establishment of grid algorithm of spatial buffer area and its shortage are also discussed. Finally, it makes exploration to the method application of the spatial buffer area analysis and the aspects of port logistics.

关键词： Space buffer analysis grid algorithm Spatial analysis

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Evolutionary hyper-heuristic for solving the strip-packing problem

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JOURNAL OF THE TEXTILE INSTITUTE 2019年第8期110卷 1141-1151页

作者： Domovic, Daniel Rolich, Tomislav Golub, Marin Univ Zagreb Fac Text Technol Prilaz baruna Filipovica 28a Zagreb 10000 Croatia Univ Zagreb Fac Elect Engn & Comp Zagreb Croatia

Strip-packing problem (marker making) is an optimization problem, where a set of cutting parts needs to be placed on a marker so that the items do not overlap, and do not exceed the boundaries of a marker. In this research a novel grid algorithm is introduced, and improvement methods: grid-BLP and grid-Shaking. These algorithms were combined with genetic algorithm, and a novel placement order All equal first. An individual representation of a genetic algorithm has been developed that is consisted of placement sequence, rotation of a cutting part, the choice of a placement algorithm, and dynamic grid parameter. Experiments were conducted to determine the best placement algorithm for a dataset, and hyper-heuristic efficiency. The implementation has been developed and experiments were conducted in MATLAB using GEATbx toolbox on five datasets from textile industry: ALBANO, DAGLI, MAO, MARQUES and MAN SHIRT. The marker efficiency in percentage was recorded with best results: 85.17, 81.76, 78.67, 84.67 and 87.19% obtained for the datasets, respectively.

关键词： Strip-packing marker making genetic algorithm grid algorithm optimization

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Quantifying sequential subsumption

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THEORETICAL COMPUTER SCIENCE 2019年 793卷 79-99页

作者： Wang, Hui Elzinga, Cees H. Lin, Zhiwei Vincent, Jordan

Subsumption is used in knowledge representation and ontology to describe the relationship between concepts. Concept A is subsumed by concept B if the extension of A is always a subset of the extension of B, irrespective of the interpretation. The subsumption relation is also useful in other data analysis tasks such as pattern recognition - for example in image analysis to detect objects in an image, and in spectral data analysis to detect the presence of a reference pattern in a given spectrum. Sometimes the subsumption relation may not be 100% true, so it is useful to quantify this relationship. In this paper we study how to quantify subsumption for sequential patterns. We review existing work on subsumption, give an axiomatic characterisation of subsumption, and present one general approach to quantification in terms of set intersection operation over concept extension. Constructing the concept extension set explicitly is impossible without specifying the domain of discourse and the interpretation. Instead, we focus on concept intension for sequences as patterns and propose to represent concept intension of a sequence by its subsequences. We further consider different types of concept intension set - subsequence set, subsequence multiset, embedding set and embedding set with constraints such as warping and selection. We then present a general algorithmic framework for computing set intersections, and specific algorithms for computing different concept intension sets. We also present an experimental evaluation of these algorithms with regard to their runtime performance. (C) 2019 Elsevier B.V. All rights reserved.

关键词： Subsumption characterisation Subsumption quantification Sequence and subsequence analysis Sequence similarity grid algorithm

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A Star Pattern Identification algorithm Based on Wheel Code Feature

A Star Pattern Identification Algorithm Based on Wheel Code ...

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Annual Conference of the Chinese-Society-for-Optical-Engineering (CSOE) on Applied Optics and Photonics China (AOPC) - Optical Sensing and Imaging Technology and Applications

作者： Shao Yuancheng Gao Wei Song Zongxi Wei Xin Xian Inst Opt & Precis Mech CAS Space Opt Lab Xian 710119 Shaanxi Peoples R China Univ Chinese Acad Sci Beijing 100049 Peoples R China

ISBN: (数字)9781510614062

ISBN: (纸本)9781510614062;9781510614055

Pyramid algorithm and grid algorithm are typical algorithms for all-sky autonomous star identification, and it has advantages of high recognition rate, and fast in running. However their recognition rate decreases rapidly when the position noise, lost stars or fake stars exist in the star image. In order to improve the performance of star sensor, a new star identification algorithm based on star pattern of wheel code is proposed. The algorithm combines the main star and its surrounding neighbor stars to form the characteristic unit, and then constructs the corresponding code feature and the wheel feature respectively. In the process of star matching, the algorithm uses the code feature of the observation star as an index to Inquire storage address of the candidate navigation star, and then calculates the similarity of wheel feature between the candidate navigation star and the observation. Simulation shows that: compared to the grid algorithm, this algorithm has higher rate of correct star recognition and better robustness. When the position error is 1 pixel and 2 lost stars exist in star image, this algorithm can reach 98.4% on identification rate, while the grid algorithm is 94.6%, and the pyramid algorithm is 83.5%;when the position error is 1 pixel and 2 fake stars exist in star image, this algorithm can reach 98.6% on identification rate, while the grid algorithm is 92.3%, and the pyramid algorithm is 87.2%.

关键词： star sensor star identification grid algorithm pyramid algorithm star pattern of wheel code

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Sample Selection in Support Vector Machines: a Fixed Neighborhood Sphere Approach 3

Sample Selection in Support Vector Machines: a Fixed Neighbo...

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3rd International Conference on Information Science and Control Engineering (ICISCE)

作者： Pan, Dongyin Yin, Yujun Sun, Yujun Ye, Ning NARI Technol Dev Ltd Co Nanjing 211102 Jiangsu Peoples R China Nanjing Forestry Univ Coll Informat Sci & Technol Nanjing 211102 Jiangsu Peoples R China

ISBN: (纸本)9781509025350

When dealing with large data set, support vector machine (SVM) needs lots of time to learn and lots of space to store. For reducing the cost of time and space, it need to select a subset of the training set. The samples locating near the boundary of the data distribution has more information than that locating within the data distribution. For searching the samples locating near the boundary of the data distribution, fixed neighborhood sphere sample selection algorithm is proposed in this paper. Generally, the sample locating within the data distribution has more neighbors in a fixed neighborhood sphere than that locating near the boundary of the data distribution. The samples locating near the boundary of the data distribution can be reserved by counting the number of the neighbors in as fixed neighborhood sphere. The time complexity of naive fixed neighborhood sphere sample selection algorithm is O(n(2)). A fast algorithm to solve the neighbors in a fixed neighborhood sphere in low-dimensional space called grid algorithm is proposed. The time complexity of grid algorithm is only O(n'*n)(n'<< n). Experimental results demonstrate that SVM become faster after disposing the samples locating within the data distribution meanwhile its accuracy does not degrade significantly.

关键词： component fixed neighborhood sphere sample selection grid algorithm support vector machine

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