Predicting the Formation of Microporous Aluminophosphate AlPO4-5 Using Ridge Regression

In this paper, ridge regression (RR) method is adopted for predicting the formation of microporous aluminophosphate AlPO₄-5 based on a database of AlPO synthesis, which aims to provide a useful guidance to the rational synthesis of microporous materials as well as other inorganic crystalline materials. To solve the problem of class imbalance, four guided resampling methods proposed in our previous work are employed for improving the predictive performance. Experimental results indicate that RR exhibits good predictive performance in terms of the area under the ROC curve (AUC) and F-measure (F). Specially, compared with some existing resampling methods, our proposed resampling methods give much better predictive results. The research of this paper will make the rational design of molecular sieves framework more straightforward and efficient, and reduce the experimental cost. In particular, this work will provide important guiding significance for rational designing the molecular sieves framework with specific structures.