Thermodynamic rules for zeolite formation from machine learning based global optimization

Machine learning for global optimization

In this paper we introduce the LeGO (Learning for Global Optimization) approach for global optimization in which machine learning is used to predict the outcome of a computationally expensive global optimization run, based upon a suitable training performed by standard runs of the same global optimization method. We propose to use a Support Vector Machine (although different machine learning to...

Machine learning approach for structure-based zeolite classification

Please cite this article in press as: D.A. Ca Application of knowledge discovery methods to crystal structure databases is an emerging research area of materials science that is playing an important role in facilitating data analysis. This study is aimed at combining computational geometry methods with machine learning algorithms for classification of inorganic solid materials of known structur...

Optimization for Machine Learning

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Optimization for Machine Learning

Optimization for Machine Learning