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In this study, we establish a basis for selecting similarity measures when applying machine learning techniques to solve materials science problems. This selection is considered with an emphasis on the distinctiveness between materials that…

Machine Learning · Computer Science 2019-03-27 Tran-Thai Dang , Tien-Lam Pham , Hiori Kino , Takashi Miyake , Hieu-Chi Dam

Advanced engineering materials design involves the exploration of massive multidimensional feature spaces, the correlation of materials properties and the processing parameters derived from disparate sources. The search for alternative…

Artificial Intelligence · Computer Science 2013-01-03 Doreswamy , M. N. Vanajakshi

We propose a data-driven method to extract dissimilarity between materials, with respect to a given target physical property. The technique is based on an ensemble method with Kernel ridge regression as the predicting model; multiple random…

Machine Learning · Statistics 2020-08-21 Duong-Nguyen Nguyen , Tien-Lam Pham , Viet-Cuong Nguyen , Hiori Kino , Takashi Miyake , Hieu-Chi Dam

We develop a materials descriptor based on the electronic density of states and investigate the similarity of materials based on it. As an application example, we study the Computational 2D Materials Database that hosts thousands of…

Materials Science · Physics 2022-01-07 Martin Kuban , Santiago Rigamonti , Markus Scheidgen , Claudia Draxl

Measuring similarity between two objects is the core operation in existing clustering algorithms in grouping similar objects into clusters. This paper introduces a new similarity measure called point-set kernel which computes the similarity…

Machine Learning · Computer Science 2022-01-07 Kai Ming Ting , Jonathan R. Wells , Ye Zhu

We present a model to measure the similarity in appearance between different materials, which correlates with human similarity judgments. We first create a database of 9,000 rendered images depicting objects with varying materials, shape…

Graphics · Computer Science 2020-03-18 Manuel Lagunas , Sandra Malpica , Ana Serrano , Elena Garces , Diego Gutierrez , Belen Masia

This paper defines pointwise clustering metrics, a collection of metrics for characterizing the similarity of two clusterings. These metrics have several interesting properties which make them attractive for practical applications. They can…

Information Retrieval · Computer Science 2024-05-20 Stephan van Staden

The formation and subsequent growth of structural defects in an irradiated material can strongly influence the material's performance in technological and industrial applications. Predicting how the growth of defects affects material…

Quality assessments of models in unsupervised learning and clustering verification in particular have been a long-standing problem in the machine learning research. The lack of robust and universally applicable cluster validity scores often…

Machine Learning · Statistics 2018-03-30 Luzie Helfmann , Johannes von Lindheim , Mattes Mollenhauer , Ralf Banisch

Machine Learning tools are nowadays widely applied extensively to the prediction of the properties of molecular materials, using datasets extracted from high-throughput computational models. In several cases of scientific and technological…

Materials Science · Physics 2021-02-10 Fabio Le Piane , Matteo Baldoni , Francesco Mercuri

This paper builds the clustering model of measures of market microstructure features which are popular in predicting stock returns. In a 10-second time-frequency, we study the clustering structure of different measures to find out the best…

Statistical Finance · Quantitative Finance 2021-12-28 Liao Zhu , Ningning Sun , Martin T. Wells

The last decade has seen intense research in materials with reduced dimensionality. The low dimensionality leads to interesting electronic behavior due to electronic confinement and reduced screening. The investigations have to a large…

Materials Science · Physics 2019-03-27 Peter Mahler Larsen , Mohnish Pandey , Mikkel Strange , Karsten Wedel Jacobsen

Time series clustering is the process of grouping time series with respect to their similarity or characteristics. Previous approaches usually combine a specific distance measure for time series and a standard clustering method. However,…

The availability of big data in materials science offers new routes for analyzing materials properties and functions and achieving scientific understanding. Finding structure in these data that is not directly visible by standard tools and…

Melting kinetics of polycrystalline materials is analyzed on the basis of a new model which explicitly couples homogeneous and heterogeneous melting mechanisms. The distinct feature of this approach lies in its ability to evaluate not only…

Applied Physics · Physics 2019-08-07 Meizhen Xiang , Yi Liao , Guomeng Li , Jun Chen

This paper proposes an uncertain data clustering approach to quantitatively analyze the complexity of prefabricated construction components through the integration of quality performance-based measures with associated engineering design…

Databases · Computer Science 2019-03-19 Wenying Ji , Simaan M. AbouRizk , Osmar R. Zaiane , Yitong Li

Clustering is the technique to partition data according to their characteristics. Data that are similar in nature belong to the same cluster [1]. There are two types of evaluation methods to evaluate clustering quality. One is an external…

Machine Learning · Computer Science 2024-09-05 Anupriya Vysala , Joseph Gomes

Predicting the thermodynamic properties of mixtures is crucial for process design and optimization in chemical engineering. Machine learning (ML) methods are gaining increasing attention in this field, but experimental data for training are…

Machine Learning · Computer Science 2024-10-10 Dominik Gond , Jan-Tobias Sohns , Heike Leitte , Hans Hasse , Fabian Jirasek

Clustering is an unsupervised machine learning methodology where unlabeled elements/objects are grouped together aiming to the construction of well-established clusters that their elements are classified according to their similarity. The…

Machine Learning · Statistics 2023-10-20 Dimitrios Saligkaras , Vasileios E. Papageorgiou

Spectral clustering is a powerful method for finding structure in a dataset through the eigenvectors of a similarity matrix. It often outperforms traditional clustering algorithms such as $k$-means when the structure of the individual…

Numerical Analysis · Mathematics 2019-04-26 Paola Favati , Grazia Lotti , Ornella Menchi , Francesco Romani
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