The thesis represents an extensive research in the multidisciplinary domain formed by the cross contamination of unsupervised learning and molecular dynamics, two research elds that are coming close creating a breeding ground for valuable new concepts and methods. In this context, at rst, we describe a novel engine to perform large scale kernel k-means clustering. We introduce a two-fold approximation strategy to minimize the kernel k-means cost function in which the trade-off between accuracy and execution time is automatically ruled by the available system memory.

Design and HPC implementation of unsupervised Kernel methods in the context of molecular dynamics

FERRAROTTI, MARCO JACOPO
2018

Abstract

The thesis represents an extensive research in the multidisciplinary domain formed by the cross contamination of unsupervised learning and molecular dynamics, two research elds that are coming close creating a breeding ground for valuable new concepts and methods. In this context, at rst, we describe a novel engine to perform large scale kernel k-means clustering. We introduce a two-fold approximation strategy to minimize the kernel k-means cost function in which the trade-off between accuracy and execution time is automatically ruled by the available system memory.
28-mar-2018
Inglese
ZUNINO, RODOLFO
MARCHESE, MARIO
PALUMBO, MAURO
Università degli studi di Genova
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/20.500.14242/165313
Il codice NBN di questa tesi è URN:NBN:IT:UNIGE-165313