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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…

We survey the application of a relatively new branch of statistical physics--"community detection"-- to data mining. In particular, we focus on the diagnosis of materials and automated image segmentation. Community detection describes the…

Materials Science · Physics 2017-11-22 Z. Nussinov , P. Ronhovde , Dandan Hu , S. Chakrabarty , M. Sahu , Bo Sun , N. A. Mauro , K. K. Sahu

Multi-component polymer systems are of interest in organic photovoltaic and drug delivery applications, among others where diverse morphologies influence performance. An improved understanding of morphology classification, driven by…

Computational Engineering, Finance, and Science · Computer Science 2020-08-27 Pavan Inguva , Lachlan Mason , Indranil Pan , Miselle Hengardi , Omar K. Matar

The optimization of the light scattered by photonic cluster made of small particles is studied with the help of the local perturbation method and special optimization algorithm. It was shown that photonic cluster can be optimized in a such…

Optics · Physics 2010-06-01 V. V. Prosentsov

We present a novel approach to perform ground-based estimation and prediction of the surface solar irradiance with the view to predicting photovoltaic energy production. We propose the use of mini-batch k-means clustering to extract…

Computer Vision and Pattern Recognition · Computer Science 2018-12-27 Mehdi Zakroum , Mounir Ghogho , Mustapha Faqir , Mohamed Aymane Ahajjam

As a kind of basic machine learning method, clustering algorithms group data points into different categories based on their similarity or distribution. We present a clustering algorithm by finding hyper-planes to distinguish the data…

Computer Vision and Pattern Recognition · Computer Science 2020-04-28 Luhong Diao , Jinying Gao1 , Manman Deng

Unsupervised machine learning methods are used to identify structural changes using the melting point transition in classical molecular dynamics simulations as an example application of the approach. Dimensionality reduction and clustering…

Computational Physics · Physics 2018-12-06 Nicholas Walker , Ka-Ming Tam , Brian Novak , M. Jarrell

Nanophotonics finds ever broadening applications requiring complex component designs with a large number of parameters to be simultaneously optimized. Recent methodologies employing optimization algorithms commonly focus on a single design…

Mode clustering is a nonparametric method for clustering that defines clusters using the basins of attraction of a density estimator's modes. We provide several enhancements to mode clustering: (i) a soft variant of cluster assignment, (ii)…

Methodology · Statistics 2015-12-23 Yen-Chi Chen , Christopher R. Genovese , Larry Wasserman

Accurately measuring the size, morphology, and structure of nanoparticles is very important, because they are strongly dependent on their properties for many applications. In this paper, we present a deep-learning based method for…

Materials Science · Physics 2022-07-29 Claudius Zelenka , Marius Kamp , Kolja Strohm , Akram Kadoura , Jacob Johny , Reinhard Koch , Lorenz Kienle

Unsupervised machine learning, and in particular data clustering, is a powerful approach for the analysis of datasets and identification of characteristic features occurring throughout a dataset. It is gaining popularity across scientific…

Mesoscale and Nanoscale Physics · Physics 2021-03-23 Maria El Abbassi , Jan Overbeck , Oliver Braun , Michel Calame , Herre S. J. van der Zant , Mickael L. Perrin

In order to efficiently explore the chemical space of all possible small molecules, a common approach is to compress the dimension of the system to facilitate downstream machine learning tasks. Towards this end, we present a data driven…

Biomolecules · Quantitative Biology 2024-01-23 Paula Mercurio , Di Liu

The identification of light sources represents a task of utmost importance for the development of multiple photonic technologies. Over the last decades, the identification of light sources as diverse as sunlight, laser radiation and…

Clustering algorithms partition a dataset into groups of similar points. The clustering problem is very general, and different partitions of the same dataset could be considered correct and useful. To fully understand such data, it must be…

Machine Learning · Computer Science 2021-02-02 James M. Murphy , Sam L. Polk

A natural way to characterize the cluster structure of a dataset is by finding regions containing a high density of data. This can be done in a nonparametric way with a kernel density estimate, whose modes and hence clusters can be found…

Machine Learning · Computer Science 2015-03-03 Miguel Á. Carreira-Perpiñán

The concept of photonic modes is the cornerstone in optics and photonics, which can describe the propagation of the light. The Maxwell's equations play the role in calculating the mode field based on the structure information, while this…

Optics · Physics 2024-02-26 Jinyang Sun , Xi Chen , Xiumei Wang , Dandan Zhu , Xingping Zhou

Neural network-based clustering has recently gained popularity, and in particular a constrained clustering formulation has been proposed to perform transfer learning and image category discovery using deep learning. The core idea is to…

Computer Vision and Pattern Recognition · Computer Science 2018-06-29 Yen-Chang Hsu , Zhaoyang Lv , Joel Schlosser , Phillip Odom , Zsolt Kira

In the face of complex natural images, existing deep clustering algorithms fall significantly short in terms of clustering accuracy when compared to supervised classification methods, making them less practical. This paper introduces an…

Machine Learning · Computer Science 2024-08-13 Qiuyu Zhu , Liheng Hu , Sijin Wang

A general method to obtain a representation of the structural landscape of nanoparticles in terms of a limited number of variables is proposed. The method is applied to a large dataset of parallel tempering molecular dynamics simulations of…

One emerging application of machine learning methods is the inference of galaxy cluster masses. In this note, machine learning is used to directly combine five simulated multiwavelength measurements in order to find cluster masses. This is…

Cosmology and Nongalactic Astrophysics · Physics 2020-01-08 J. D. Cohn , Nicholas Battaglia
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