Neural Networks for Full-Scale Protein Sequence Classification: Sequence Encoding with Singular Value Decomposition

摘要

A neural network classification method has been developed as an alternative approach to the search/organization problem of protein sequence databases. The neural networks used are three-layered, feed-forward, back-propagation networks. The protein sequences are encoded into neural input vectors by a hashing method that counts occurrences of n-gram words. A new SVD (singular value decomposition) method, which compresses the long and sparse n-gram input vectors and captures semantics of n-gram words, has improved the generalization capability of the network. A full-scale protein classification system has been implemented on a Cray supercomputer to classify unknown sequences into 3311 PIR (Protein Identification Resource) superfamilies/families at a speed of less than 0.05 CPU second per sequence. The sensitivity is close to 90% overall, and approaches 100% for large superfamilies. The system could be used to reduce the database search time and is being used to help organize the PIR protein sequence database.