A PLS-BPN Pattern Recognition Method Applied to Computer-Aided Materials Design
- 1 January 1996
- journal article
- research article
- Published by Taylor & Francis in Analytical Letters
- Vol. 29 (2) , 341-350
- https://doi.org/10.1080/00032719608001009
Abstract
The partial projections of a sample set to the PLS (partial least square) space with a less noise is used as the input elements of the BPN (back propagation network) to build a “balance” neural network structure, which circumvents an overfitting shortcoming of the usual BPN to a great extent. The samples designed from an optimal region of the PLS sub-space using a nonlinear inverse mapping technique are predicted by the PLS-BPN and are selected based on their predicted target values. This method is applied to hydrogen-storage-battery materials and several samples with a probable better initial capacity are designed.Keywords
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