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Scanning transmission electron microscopy (STEM) is an extremely versatile method for studying materials on the atomic scale. Many STEM experiments are supported or validated with electron scattering simulations. However, using the…

Due to the rapid growth of smart agents such as weakly connected computational nodes and sensors, developing decentralized algorithms that can perform computations on local agents becomes a major research direction. This paper considers the…

Machine Learning · Computer Science 2021-02-09 Haishan Ye , Tong Zhang

This note introduces an unsupervised learning algorithm to debug errors in finite element (FE) simulation models and details how it was productionised. The algorithm clusters degrees of freedom in the FE model using numerical properties of…

Computational Engineering, Finance, and Science · Computer Science 2023-10-26 Ramaseshan Kannan

Physically motivated classical heuristic optimization algorithms such as simulated annealing (SA) treat the objective function as an energy landscape, and allow walkers to escape local minima. It has been argued that quantum properties such…

Quantum Physics · Physics 2019-08-05 Aniruddha Bapat , Stephen Jordan

Independent component analysis (ICA) is a widespread data exploration technique, where observed signals are modeled as linear mixtures of independent components. From a machine learning point of view, it amounts to a matrix factorization…

Machine Learning · Statistics 2019-05-28 Pierre Ablin , Alexandre Gramfort , Jean-François Cardoso , Francis Bach

In recent years, several particle-based stochastic simulation algorithms (PSSA) have been developed to study the spatially resolved dynamics of biochemical networks at a molecular scale. A challenge all these approaches have to address is…

Quantitative Methods · Quantitative Biology 2011-07-04 Thorsten Prüstel , Martin Meier-Schellersheim

Algorithmic fairness in clustering aims to balance the proportions of instances assigned to each cluster with respect to a given sensitive attribute. While recently developed fair clustering algorithms optimize clustering objectives under…

Machine Learning · Computer Science 2025-10-24 Kunwoong Kim , Jihu Lee , Sangchul Park , Yongdai Kim

Simulated Annealing is the crowning glory of Markov Chain Monte Carlo Methods for the solution of NP-hard optimization problems in which the cost function is known. Here, by replacing the Metropolis engine of Simulated Annealing with a…

Artificial Intelligence · Computer Science 2020-08-04 Carlo Baldassi , Fabio Maccheroni , Massimo Marinacci , Marco Pirazzini

The growing amount of data produced by simulations and observations of space physics processes encourages the use of methods rooted in Machine Learning for data analysis and physical discovery. We apply a clustering method based on…

Plasma Physics · Physics 2023-04-27 Sophia Köhne , Elisabetta Boella , Maria Elena Innocenti

Algorithms for simulating complex physical systems or solving difficult optimization problems often resort to an annealing process. Rather than simulating the system at the temperature of interest, an annealing algorithm starts at a…

Computational Physics · Physics 2015-04-02 Michael Habeck

An efficient MCMC algorithm is presented to cluster the nodes of a network such that nodes with similar role in the network are clustered together. This is known as block-modelling or block-clustering. The model is the stochastic blockmodel…

Computation · Statistics 2012-11-09 Aaron F. McDaid , Thomas Brendan Murphy , Nial Friel , Neil J Hurley

Automated analyses of the outcome of a simulation have been an important part of atomistic modeling since the early days, addressing the need of linking the behavior of individual atoms and the collective properties that are usually the…

Chemical Physics · Physics 2019-05-22 Michele Ceriotti

In this paper we introduce a new clustering technique called Regularity Clustering. This new technique is based on the practical variants of the two constructive versions of the Regularity Lemma, a very useful tool in graph theory. The…

Combinatorics · Mathematics 2012-10-01 Gábor N. Sárközy , Fei Song , Endre Szemerédi , Shubhendu Trivedi

Sparse Principal Component Analysis (sPCA) is a cardinal technique for obtaining combinations of features, or principal components (PCs), that explain the variance of high-dimensional datasets in an interpretable manner. This involves…

Optimization and Control · Mathematics 2025-12-02 Ryan Cory-Wright , Jean Pauphilet

In computer vision, image segmentation is always selected as a major research topic by researchers. Due to its vital rule in image processing, there always arises the need of a better image segmentation method. Clustering is an unsupervised…

Computer Vision and Pattern Recognition · Computer Science 2015-06-08 Dibya Jyoti Bora , Anil Kumar Gupta

The Expectation-Maximization (EM) algorithm is a commonly used method for finding the maximum likelihood estimates of the parameters in a mixture model via coordinate ascent. A serious pitfall with the algorithm is that in the case of…

Computation · Statistics 2018-08-31 Adrian O'Hagan , Arthur White

In many real life problems, objects are described by large number of binary features. For instance, documents are characterized by presence or absence of certain keywords; cancer patients are characterized by presence or absence of certain…

Applications · Statistics 2016-03-09 Tapesh Santra

Single-cell RNA sequencing (scRNA-seq) has revolutionized our ability to analyze gene expression at the cellular level. By providing data on gene expression for each individual cell, scRNA-seq generates large datasets with thousands of…

Computational Complexity · Computer Science 2025-02-11 Md Romizul Islam , Swakkhar Shatabda

Principal Component Analysis (PCA) is one of the most important methods to handle high dimensional data. However, most of the studies on PCA aim to minimize the loss after projection, which usually measures the Euclidean distance, though in…

Machine Learning · Computer Science 2019-03-19 Kai Liu , Qiuwei Li , Hua Wang , Gongguo Tang

Graph-SLAM is a well-established algorithm for constructing a topological map of the environment while simultaneously attempting the localisation of the robot. It relies on scan matching algorithms to align noisy observations along robot's…

Robotics · Computer Science 2022-01-20 Giorgio Iavicoli , Claudio Zito
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