Adaptive local learning in sampling based motion planning for protein folding
2015
Motivation: Simulating
protein foldingmotions is an important problem in
computational biology.
Motion planningalgorithms such as
Probabilistic RoadmapMethods (PRMs) have been successful in modeling the
protein folding
landscape. PRMs and variants contain several phases (i.e., sampling, connection, and path extraction). Global machine learning has been applied to the connection phase but is inefficient in situations with varying topology, such as those typical of folding
landscapes. Results: We present a local learning algorithm that considers the past performance near the current connection attempt as a basis for learning. It is sensitive not only to different types of
landscapesbut also to differing regions in the
landscapeitself, removing the need to explicitly partition the
landscape. We perform experiments on 23 proteins of varying secondary structure makeup with 52–114 residues. Our method models the
landscapewith better quality and comparable time to the best performing individual method and to global learning.
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