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Joint L 2,1 Norm and Fisher Discrimination Constrained Feature Selection for Rational Synthesis of Microporous Aluminophosphates
Author(s) -
Qi Miao,
Wang Ting,
Yi Yugen,
Gao Na,
Kong Jun,
Wang Jianzhong
Publication year - 2017
Publication title -
molecular informatics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.481
H-Index - 68
eISSN - 1868-1751
pISSN - 1868-1743
DOI - 10.1002/minf.201600076
Subject(s) - discriminative model , feature selection , computer science , norm (philosophy) , artificial intelligence , pattern recognition (psychology) , feature (linguistics) , representation (politics) , rank (graph theory) , machine learning , data mining , algorithm , mathematics , linguistics , philosophy , politics , political science , law , combinatorics
Feature selection has been regarded as an effective tool to help researchers understand the generating process of data. For mining the synthesis mechanism of microporous AlPOs, this paper proposes a novel feature selection method by joint l 2,1 norm and Fisher discrimination constraints (JNFDC). In order to obtain more effective feature subset, the proposed method can be achieved in two steps. The first step is to rank the features according to sparse and discriminative constraints. The second step is to establish predictive model with the ranked features, and select the most significant features in the light of the contribution of improving the predictive accuracy. To the best of our knowledge, JNFDC is the first work which employs the sparse representation theory to explore the synthesis mechanism of six kinds of pore rings. Numerical simulations demonstrate that our proposed method can select significant features affecting the specified structural property and improve the predictive accuracy. Moreover, comparison results show that JNFDC can obtain better predictive performances than some other state‐of‐the‐art feature selection methods.