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A new approach is presented to obtain candidate structures from atomic pair distribution function (PDF) data in a highly automated way. It fetches, from web-based structural databases, all the structures meeting the experimenter's search…

Materials Science · Physics 2020-05-07 Long Yang , Pavol Juhás , Maxwell W. Terban , Matthew G. Tucker , Simon J. L. Billinge

We introduce a density-based clustering method called skeleton clustering that can detect clusters in multivariate and even high-dimensional data with irregular shapes. To bypass the curse of dimensionality, we propose surrogate density…

Machine Learning · Statistics 2023-03-09 Zeyu Wei , Yen-Chi Chen

Many real objects are modeled as discrete sets of points, such as corners or other salient features. For our main applications in chemistry, points represent atomic centers in a molecule or a solid material. We study the problem of…

Computational Geometry · Computer Science 2026-01-01 Daniel Widdowson , Vitaliy Kurlin

We consider a geometrization, i.e., we identify geometrical structures, for the space of density states of a quantum system. We also provide few comments on a possible application of this geometrization for composite systems.

Quantum Physics · Physics 2009-11-11 V. I. Man'ko , G. Marmo , E. C. G. Sudarshan , F. Zaccaria

In this article, we present a novel box-covering algorithm for analyzing the fractal properties of complex networks. Unlike traditional algorithms that impose a predetermined box size, our approach assigns nodes to boxes identified by their…

Disordered Systems and Neural Networks · Physics 2025-09-23 Michal Lepek , Kordian Makulski , Agata Fronczak , Piotr Fronczak

We address the problem of constructing large undirected circulant networks with given degree and diameter. First we discuss the theoretical upper bounds and their asymptotics, and then we describe and implement a computer-based method to…

Combinatorics · Mathematics 2015-03-26 Ramiro Feria-Puron , Hebert Perez-Roses , Joe Ryan

Many materials crystallize in structure types that feature a square-net of atoms. While these compounds can exhibit many different properties, some members of this family are topological materials. Within the square-net-based topological…

Materials Science · Physics 2019-08-16 Sebastian Klemenz , Shiming Lei , Leslie M. Schoop

A network picture has been applied to various physical and biological systems to understand their governing mechanisms intuitively. Utilizing discretization schemes, both electrical and optical materials can also be interpreted as abstract…

Optics · Physics 2016-08-02 Sunkyu Yu , Xianji Piao , Jiho Hong , Namkyoo Park

We explored the statistics of filtering of simple patterns on a number of deterministic and random graphs as a tractable simple example of information processing in complex systems. In this problem, multiple inputs map to the same output,…

Cellular Automata and Lattice Gases · Physics 2020-12-02 G. J. Baxter , R. A. da Costa , S. N. Dorogovtsev , J. F. F. Mendes

The prediction of material structure from chemical composition has been a long-standing challenge in natural science. Although there have been various methodological developments and successes with computer simulations, the prediction of…

Materials Science · Physics 2018-05-23 Naoto Tsujimoto , Daiki Adachi , Ryosuke Akashi , Synge Todo , Shinji Tsuneyuki

Text documents are complex high dimensional objects. To effectively visualize such data it is important to reduce its dimensionality and visualize the low dimensional embedding as a 2-D or 3-D scatter plot. In this paper we explore…

Computation and Language · Computer Science 2010-03-03 Yi Mao , Krishnakumar Balasubramanian , Guy Lebanon

In this paper, we study the construction of structural models for the description of substitutional defects in crystalline materials. Predicting and designing the atomic structures in such systems is highly challenging due to the…

Computational Physics · Physics 2025-07-04 Xiaoxu Li , Ge Xu , Huajie Chen , Xingyu Gao , Haifeng Song

Over the last decade, random hyperbolic graphs have proved successful in providing geometric explanations for many key properties of real-world networks, including strong clustering, high navigability, and heterogeneous degree…

Physics and Society · Physics 2023-03-01 Béatrice Désy , Patrick Desrosiers , Antoine Allard

Hierarchical tree structures are common in many real-world systems, from tree roots and branches to neuronal dendrites and biologically inspired artificial neural networks, as well as in technological networks for organizing and searching…

Statistical Mechanics · Physics 2025-02-04 Davide Cipollini , Lambert Schomaker

A very complex vision system is developed to detect luminosity variations connected with the discovery of new planets in the Universe. The traditional imaging system can not manage a so large load. A private net is implemented to perform an…

Computer Vision and Pattern Recognition · Computer Science 2007-05-23 G. Iovane

The topological structure of complex networks has fascinated researchers for several decades, resulting in the discovery of many universal properties and reoccurring characteristics of different kinds of networks. However, much less is…

Social and Information Networks · Computer Science 2017-06-28 Yvonne Anne Pignolet , Matthieu Roy , Stefan Schmid , Gilles Tredan

The topological structure of complex networks has fascinated researchers for several decades, resulting in the discovery of many universal properties and reoccurring characteristics of different kinds of networks. However, much less is…

Social and Information Networks · Computer Science 2017-03-02 Yvonne Anne Pignolet , Matthieu Roy , Stefan Schmid , Gilles Tredan

Datasets in high-dimension do not typically form clusters in their original space; the issue is worse when the number of points in the dataset is small. We propose a low-computation method to find statistically significant clustering…

Machine Learning · Statistics 2020-08-24 Alden Bradford , Tarun Yellamraju , Mireille Boutin

We give a simple, local process for nodes in an undirected graph to form non-adjacent clusters that (1) have at most a polylogarithmic diameter and (2) contain at least half of all vertices. Efficient deterministic distributed clustering…

Data Structures and Algorithms · Computer Science 2022-10-24 Václav Rozhoň , Bernhard Haeupler , Christoph Grunau

Lidar datasets are becoming more and more common. They are appreciated for their precise 3D nature, and have a wide range of applications, such as surface reconstruction, object detection, visualisation, etc. For all this applications,…

Computer Vision and Pattern Recognition · Computer Science 2018-01-17 Remi Cura , Julien Perret , Nicolas Paparoditis