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We explore and describe different protocols for calibrating electron pair distribution function (ePDF) measurements for quantitative studies on nano-materials. We find the most accurate approach to determine the camera-length is to use a…

Materials Science · Physics 2015-03-18 A. M. Milinda Abeykoon , Hefei Hu , Lijun Wu , Yimei Zhu , Simon J. L. Billinge

Finding an optimal assignment between two sets of objects is a fundamental problem arising in many applications, including the matching of `bag-of-words' representations in natural language processing and computer vision. Solving the…

Machine Learning · Computer Science 2019-09-12 Nils M. Kriege , Pierre-Louis Giscard , Franka Bause , Richard C. Wilson

The matching distance is a computationally tractable topological measure to compare multi-filtered simplicial complexes. We design efficient algorithms for approximating the matching distance of two bi-filtered complexes to any desired…

Computational Geometry · Computer Science 2020-04-02 Michael Kerber , Arnur Nigmetov

Protein structural alignment is an important problem in computational biology. In this paper, we present first successes on provably optimal pairwise alignment of protein inter-residue distance matrices, using the popular Dali scoring…

Quantitative Methods · Quantitative Biology 2011-04-18 Inken Wohlers , Rumen Andonov , Gunnar W. Klau

We design a new, fast algorithm for agnostically learning univariate probability distributions whose densities are well approximated by piecewise polynomial functions. Let $f$ be the density function of an arbitrary univariate distribution,…

Data Structures and Algorithms · Computer Science 2015-06-03 Jayadev Acharya , Ilias Diakonikolas , Jerry Li , Ludwig Schmidt

In this paper we propose an algorithm for aligning three-dimensional objects when represented as density maps, motivated by applications in cryogenic electron microscopy. The algorithm is based on minimizing the 1-Wasserstein distance…

Image and Video Processing · Electrical Eng. & Systems 2024-03-13 Amit Singer , Ruiyi Yang

Several important algorithms for machine learning and data analysis use pairwise distances as input. On Riemannian manifolds these distances may be prohibitively costly to compute, in particular for large datasets. To tackle this problem,…

Differential Geometry · Mathematics 2019-04-29 Philipp Harms , Elodie Maignant , Stefan Schlager

In this work we provide a new technique to design fast approximation algorithms for graph problems where the points of the graph lie in a metric space. Specifically, we present a sampling approach for such metric graphs that, using a…

Data Structures and Algorithms · Computer Science 2018-07-26 Hossein Esfandiari , Michael Mitzenmacher

Computing an array of all pairs of geodesic distances between the pixels of an image is time consuming. In the sequel, we introduce new methods exploiting the redundancy of geodesic propagations and compare them to an existing one. We show…

Discrete Mathematics · Computer Science 2020-08-03 Guillaume Noyel , Jesus Angulo , Dominique Jeulin

We analyze several generic proximal splitting algorithms well suited for large-scale convex nonsmooth optimization. We derive sublinear and linear convergence results with new rates on the function value suboptimality or distance to the…

Optimization and Control · Mathematics 2022-01-28 Laurent Condat , Grigory Malinovsky , Peter Richtárik

Weighted Hamming distance, as a similarity measure between binary codes and binary queries, provides superior accuracy in search tasks than Hamming distance. However, how to efficiently and accurately find $K$ binary codes that have the…

Computer Vision and Pattern Recognition · Computer Science 2021-08-11 Zhenyu Weng , Yuesheng Zhu , Ruixin Liu

We have systematically studied the optimal real-space sampling of atomic pair distribution data by comparing refinement results from oversampled and resampled data. Based on nickel and a complex perovskite system, we demonstrate that the…

Materials Science · Physics 2015-03-19 Christopher L. Farrow , Margaret Shaw , Hyunjeong Kim , Pavol Juhas , Simon J. L. Billinge

In this paper, the statistical properties of Newton s method algorithm output in a specific case have been studied. The relative frequency density of this sample converges to a well-defined function, prompting us to explore its…

Data Analysis, Statistics and Probability · Physics 2024-07-16 Taki Kirouani

We present an alternative algorithm to global fitting procedures to construct Parton Distribution Functions (PDFs) parametrizations. The proposed algorithm uses Self-Organizing Maps (SOMs) which at variance with the standard Neural…

High Energy Physics - Phenomenology · Physics 2017-08-23 H. Honkanen , S. Liuti , Y. C. Loitiere , D. Brogan , P. Reynolds

Finding an exact maximum distance of two points in the given set is a fundamental computational problem which is solved in many applications. This paper presents a fast, simple to implement and robust algorithm for finding this maximum…

Data Structures and Algorithms · Computer Science 2017-08-10 Vaclav Skala , Zuzana Majdisova

In [3], algorithms to compute the density of the distance to a random variable uniformly distributed in (a) a ball, (b) a disk, (c) a line segment, or (d) a polygone were introduced. For case (d), the algorithm, based on Green's theorem,…

Computational Geometry · Computer Science 2019-06-06 Vincent Guigues

Graph comparison deals with identifying similarities and dissimilarities between graphs. A major obstacle is the unknown alignment of graphs, as well as the lack of accurate and inexpensive comparison metrics. In this work we introduce the…

Machine Learning · Computer Science 2021-12-09 Hermina Petric Maretic , Mireille El Gheche , Giovanni Chierchia , Pascal Frossard

Sampling-based motion planning algorithms are widely used in robotics because they are very effective in high-dimensional spaces. However, the success rate and quality of the solutions are determined by an adequate selection of their…

We design a deterministic algorithm that, given $n$ points in a \emph{typical} constant degree regular~graph, queries $O(n)$ distances to output a constant factor approximation to the average distance among those points, thus answering a…

Data Structures and Algorithms · Computer Science 2025-10-22 Alexandros Eskenazis , Manor Mendel , Assaf Naor

Hyperbolicity is a graph parameter which indicates how much the shortest-path distance metric of a graph deviates from a tree metric. It is used in various fields such as networking, security, and bioinformatics for the classification of…

Data Structures and Algorithms · Computer Science 2021-04-27 David Coudert , André Nusser , Laurent Viennot