Protein secondary structure prediction based on the fuzzy support vector machine with the hyperplane optimization

The prediction of the protein secondary structure is a crucial point in bioinformatics and related fields. In the last years, machine learning methods have become a valuable tool, achieving satisfactory results. However, the prediction accuracy needs to be further ameliorated. This paper proposes a new method based on an improved fuzzy support vector machine (FSVM) for the prediction of the secondary structure of proteins. Unlike traditional methods to set the membership function, it firstly constructs an approximate optimal separating hyperplane by iterating the class centers in the feature space. Then sample points close to this hyperplane are assigned with large membership values, while outliers with small membership values according to the K-nearest neighbor. And some sample points with low membership values are removed, reducing the training time and improving the prediction accuracy. To optimize the prediction results, our method also exploits information on sequence-based structural similarity. We used three databases (e.g. RS126, CB513 and data1199) to test this method, showing the achievement of 94.2%, 93.1%, 96.7% Q3 accuracy and 91.7%, 89.7%, 94.1% SOV values for the three datasets, respectively. Overall, our method results are comparable to or often better than commonly used methods (Magnan & Baldi, 2014; Sheng et al., 2016) for secondary structure prediction.