Accurate Sampling with Noisy Forces from Approximate Computing

Varadarajan Rengaraj; Michael Lass; Christian Plessl; Thomas D. Kühne

doi:10.3390/computation8020039

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arXiv · 1907.08497

Accurate Sampling with Noisy Forces from Approximate Computing

Varadarajan Rengaraj·Michael Lass·Christian Plessl·Thomas D. Kühne

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Abstract

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 rigorously compensate for numerical inaccuracies due to low-accuracy arithmetic operations, yet still obtaining exact expectation values using a properly modified Langevin-type equation.

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Varadarajan Rengaraj, Michael Lass, Christian Plessl, Thomas D. Kühne. 2019-07-19. Accurate Sampling with Noisy Forces from Approximate Computing. https://doi.org/10.3390/computation8020039

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