Accurate Sampling with Noisy Forces from Approximate Computing

In scientific computing, the acceleration of atomistic computer simulations by means of custom hardware is finding ever-growing application. A major limitation, however, is that the high efficiency in terms of performance and low power consumption entails the massive usage of low precision computing...

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Bibliographic Details
Published in:Computation 2020-06, Vol.8 (2), p.39
Main Authors: Rengaraj, Varadarajan, Lass, Michael, Plessl, Christian, Kühne, Thomas D.
Format: Article
Language:English
Subjects:
Accuracy
approximate computing
Computation
Computer simulation
CP2K
Field programmable gate arrays
fluctuation-dissipation theorem
FPGA
i-PI
low precision arithmetic
Noise
Power consumption
Simulation
Software
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Summary:In scientific computing, the acceleration of atomistic computer simulations by means of custom hardware is finding ever-growing application. A major limitation, however, is that the high efficiency in terms of performance and low power consumption entails the massive usage of low precision computing units. Here, based on the approximate computing paradigm, we present an algorithmic method to compensate for numerical inaccuracies due to low accuracy arithmetic operations rigorously, yet still obtaining exact expectation values using a properly modified Langevin-type equation.
ISSN:2079-3197
2079-3197
DOI:10.3390/computation8020039