Algebraic Shortcuts for Leave-One-Out Cross-Validation in Supervised Network Inference

Abstract

MotivationSupervised machine learning techniques have traditionally been very successful at reconstructing biological networks, such as protein-ligand interaction, protein-protein interaction and gene regulatory networks. Recently, much emphasis has been placed on the correct evaluation of such supervised models. It is vital to distinguish between using the model to either predict new interactions in a given network or to predict interactions for a new vertex not present in the original network. Specific cross-validation schemes need to be used to assess the performance in such different prediction settings.\n\nResultsWe present a series of leave-one-out cross-validation shortcuts to rapidly estimate the performance of state-of-the-art kernel-based network inference techniques.\n\nAvailabilityThe machine learning techniques with the algebraic shortcuts are implemented in the RLScore software package.