A Novel integrated feature selection method for the rational synthesis of microporous aluminophosphate / Miao Qi in Industrial & engineering chemistry research, Vol. 51 N° 51 (Décembre 2012)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 51 N° 51 (Décembre 2012) . - pp. 16734–16740 Titre : A Novel integrated feature selection method for the rational synthesis of microporous aluminophosphate Type de document : texte imprimé Auteurs : Miao Qi, Auteur ; Jinsong Li, Auteur ; Jianzhong Wang, Auteur Année de publication : 2012 Article en page(s) : pp. 16734–16740 Note générale : Industrial chemistry Langues : Anglais (eng) Mots-clés : Rational synthesis Microporous Résumé : In this paper, an integrated feature selection model is proposed to explore the relationship between the synthetic factors and the specific resulting structure on the database of AlPO syntheses. Specifically, the proposed model can select the most significant synthetic factors for the generation of (6,12)-ring-containing structure. First, a random subspace method is employed to prerank the synthetic factors based on the predictive performance of a support vector machine. Then, the Fisher score is presented to rank the synthetic factors for getting a fusion weight. Finally, a sequential forward search method is utilized to select the most significant synthetic factors in view of the highest predictive performance. Specially, the principal-component-analysis method is adopted as guidance for estimating the random subspace dimension. The results are judged on the numerical prediction of (6,12)-ring-containing AlPO structures. Simultaneously, we compare our method with several classical feature selection methods. The experimental results show that the proposed model exhibits higher predictive accuracy with less synthetic factors. The results also provide an important guidance for the rational design and synthesis of microporous materials. ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie3019774 [article] A Novel integrated feature selection method for the rational synthesis of microporous aluminophosphate [texte imprimé] / Miao Qi, Auteur ; Jinsong Li, Auteur ; Jianzhong Wang, Auteur . - 2012 . - pp. 16734–16740. Industrial chemistry Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 51 N° 51 (Décembre 2012) . - pp. 16734–16740 Mots-clés : Rational synthesis Microporous Résumé : In this paper, an integrated feature selection model is proposed to explore the relationship between the synthetic factors and the specific resulting structure on the database of AlPO syntheses. Specifically, the proposed model can select the most significant synthetic factors for the generation of (6,12)-ring-containing structure. First, a random subspace method is employed to prerank the synthetic factors based on the predictive performance of a support vector machine. Then, the Fisher score is presented to rank the synthetic factors for getting a fusion weight. Finally, a sequential forward search method is utilized to select the most significant synthetic factors in view of the highest predictive performance. Specially, the principal-component-analysis method is adopted as guidance for estimating the random subspace dimension. The results are judged on the numerical prediction of (6,12)-ring-containing AlPO structures. Simultaneously, we compare our method with several classical feature selection methods. The experimental results show that the proposed model exhibits higher predictive accuracy with less synthetic factors. The results also provide an important guidance for the rational design and synthesis of microporous materials. ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie3019774

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