Use of Bayesian Approach in Chemistry

Year 2011, Volume: 39 Issue: 1, 19 - 22, 01.01.2011

Turhan Menteş

Abstract

Bayesian approach is a popular topic today in many fields of study in which statistics is used. The availability of stochastic simulation technique such as Markov Chain Monte Carlo makes exact Bayesian solution possible even in very complex and high dimensional models. The purpose of this short review paper is to emphasize the basic principles and to show the use of Markov Chain Monte Carlo technique for Chemistry data.

Keywords

Bayes theorem, Bayesian inference, Markov chain Monte Carlo, Gibbs sampling

Bayesci Yaklaşımın Kimyada Kullanımı

Abstract

Günümüzde Bayesci yaklaşım istatistiğin kullanıldığı birçok alanda revaçta olan bir yaklaşımdır. Stokastik simülasyon tekniği olan Markov Zinciri Monte Carlo yönteminin varlığı, karmaşık ve yüksek boyutlu modellerde bile Bayesci çözümlemelerin elde edilmesine olanak sağlar. Bu kısa derlemenin amacı, Bayesci yaklaşımın temel ilkeleri üzerinde durmak ve Markov Zinciri Monte Carlo yönteminin kimya verileri için nasıl kullanılabileceğini göstermektir

Keywords

Bayes teorisi, Bayes çıkarımı, Markov zinciri Monte Carlo, Gibbs örneklemesi

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