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We introduce an atomistic classifier based on a combination of spectral graph theory and a Voronoi tessellation method. This classifier allows for the discrimination between structures from different minima of a potential energy surface,…

化学物理 · 物理学 2024-07-19 Andreas Møller Slavensky , Bjørk Hammer

Determining the number of clusters in a dataset is a fundamental issue in data clustering. Many methods have been proposed to solve the problem of selecting the number of clusters, considering it to be a problem with regard to model…

机器学习 · 计算机科学 2022-10-04 Ryosuke Motegi , Yoichi Seki

Cluster analysis which focuses on the grouping and categorization of similar elements is widely used in various fields of research. Inspired by the phenomenon of atomic fission, a novel density-based clustering algorithm is proposed in this…

机器学习 · 计算机科学 2020-04-28 Shizhan Lu

Clustering is an unsupervised technique of Data Mining. It means grouping similar objects together and separating the dissimilar ones. Each object in the data set is assigned a class label in the clustering process using a distance measure.…

信息检索 · 计算机科学 2011-10-13 Parul Agarwal , M. Afshar Alam , Ranjit Biswas

A new approach to data stream clustering with the help of an ensemble of adaptive neuro-fuzzy systems is proposed. The proposed ensemble is formed with adaptive neuro-fuzzy self-organizing Kohonen maps in a parallel processing mode. A final…

人工智能 · 计算机科学 2016-10-21 Zhengbing Hu , Yevgeniy V. Bodyanskiy , Oleksii K. Tyshchenko , Olena O. Boiko

This paper describes a design that can be used for Explainable AI. The lower level is a nested ensemble of patterns created by self-organisation. The upper level is a hierarchical tree, where nodes are linked through individual concepts, so…

人工智能 · 计算机科学 2020-11-30 Kieran Greer

We present a novel approach for finding and evaluating structural models of small metallic nanoparticles. Rather than fitting a single model with many degrees of freedom, the approach algorithmically builds libraries of nanoparticle…

In this paper, we propose a Classification Confidence Network (CLCNet) that can determine whether the classification model classifies input samples correctly. It can take a classification result in the form of vector in any dimension, and…

机器学习 · 计算机科学 2022-10-25 Yao-Ching Yu , Shi-Jinn Horng

We propose a new method for Unsupervised clustering in particle physics named UCluster, where information in the embedding space created by a neural network is used to categorise collision events into different clusters that share similar…

数据分析、统计与概率 · 物理学 2021-06-01 Vinicius Mikuni , Florencia Canelli

Computational methods that automatically extract knowledge from data are critical for enabling data-driven materials science. A reliable identification of lattice symmetry is a crucial first step for materials characterization and…

材料科学 · 物理学 2018-07-19 A. Ziletti , D. Kumar , M. Scheffler , L. M. Ghiringhelli

Image feature classification is a challenging problem in many computer vision applications, specifically, in the fields of remote sensing, image analysis and pattern recognition. In this paper, a novel Self Organizing Map, termed improved…

计算机视觉与模式识别 · 计算机科学 2015-01-09 M. Abdelsamea , Marghny H. Mohamed , Mohamed Bamatraf

Analyzing atomically resolved images is a time-consuming process requiring solid experience and substantial human intervention. In addition, the acquired images contain a large amount of information such as crystal structure, presence and…

Clustering is a common technique for statistical data analysis, Clustering is the process of grouping the data into classes or clusters so that objects within a cluster have high similarity in comparison to one another, but are very…

机器学习 · 计算机科学 2012-03-12 T Soni Madhulatha

A Bayesian Deep Restricted Boltzmann-Kohonen architecture for data clustering termed as DRBM-ClustNet is proposed. This core-clustering engine consists of a Deep Restricted Boltzmann Machine (DRBM) for processing unlabeled data by creating…

Ransomware is a type of malware which encrypts user data and extorts payments in return for the decryption keys. This cyberthreat is one of the most serious challenges facing organizations today and has already caused immense financial…

密码学与安全 · 计算机科学 2023-11-15 Aldin Vehabovic , Hadi Zanddizari , Nasir Ghani , G. Javidi , S. Uluagac , M. Rahouti , E. Bou-Harb , M. Safaei Pour

A lattice fermion model is formulated in Fock space using the Jordan-Wigner representation for the fermion creation and annihilation operators. The resulting path integral is a sum over configurations of lattice site occupation numbers…

高能物理 - 格点 · 物理学 2009-10-22 Uwe-Jens Wiese

Metal-organic frameworks (MOFs) are highly interesting and tunable materials. By incorporating spatial defects into their atomic structure, MOFs can be finetuned to exhibit precise chemical functionalities, extending their applicability in…

材料科学 · 物理学 2025-04-08 Pieter Dobbelaere , Sander Vandenhaute , Veronique Van Speybroeck

The nature of an atom in a bonded structure -- such as in molecules, in nanoparticles or solids, at surfaces or interfaces -- depends on its local atomic environment. In atomic-scale modeling and simulation, identifying groups of atoms with…

化学物理 · 物理学 2023-06-29 King Chun Lai , Sebastian Matera , Christoph Scheurer , Karsten Reuter

Automating anomaly detection is an open problem in many scientific fields, particularly in time-domain astronomy, where modern telescopes generate millions of alerts per night. Currently, most anomaly detection algorithms for astronomical…

机器学习 · 计算机科学 2024-08-20 Rithwik Gupta , Daniel Muthukrishna , Michelle Lochner

Objective: Data clustering is a common exploration step in the omics era, notably in genomics and proteomics where many genes or proteins can bequantified from one or more experiments. Bayesian clustering is a powerful algorithm that can…

定量方法 · 定量生物学 2022-04-14 Pierre Poulain , Jean-Michel Camadro
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