ML2Motif-Reliable extraction of discriminative sequence motifs from learning machines

PLoS One. 2017 Mar 27;12(3):e0174392. doi: 10.1371/journal.pone.0174392. eCollection 2017.

Abstract

High prediction accuracies are not the only objective to consider when solving problems using machine learning. Instead, particular scientific applications require some explanation of the learned prediction function. For computational biology, positional oligomer importance matrices (POIMs) have been successfully applied to explain the decision of support vector machines (SVMs) using weighted-degree (WD) kernels. To extract relevant biological motifs from POIMs, the motifPOIM method has been devised and showed promising results on real-world data. Our contribution in this paper is twofold: as an extension to POIMs, we propose gPOIM, a general measure of feature importance for arbitrary learning machines and feature sets (including, but not limited to, SVMs and CNNs) and devise a sampling strategy for efficient computation. As a second contribution, we derive a convex formulation of motifPOIMs that leads to more reliable motif extraction from gPOIMs. Empirical evaluations confirm the usefulness of our approach on artificially generated data as well as on real-world datasets.

MeSH terms

  • Algorithms
  • Computational Biology / methods*
  • Machine Learning*
  • Support Vector Machine*

Grants and funding

MMCV and NG were supported by BMBF ALICE II grant 01IB15001B. We also acknowledge the support by the German Research Foundation through the grant DFG KL2698/2-1, MU 987/6-1, and RA 1894/1-1. KRM thanks for partial funding by the National Research Foundation of Korea funded by the Ministry of Education, Science, and Technology in the BK21 program. MK and KRM were supported by the German Ministry for Education and Research through the awards 031L0023A and 031B0187B and the Berlin Big Data Center BBDC (01IS14013A).