Relative entropy as a universal metric for multiscale errors.

@article{Chaimovich2010RelativeEA,
  title={Relative entropy as a universal metric for multiscale errors.},
  author={Aviel Chaimovich and M. Scott Shell},
  journal={Physical review. E, Statistical, nonlinear, and soft matter physics},
  year={2010},
  volume={81 6 Pt 1},
  pages={
          060104
        }
}
We show that the relative entropy, Srel, suggests a fundamental indicator of the success of multiscale studies, in which coarse-grained (CG) models are linked to first-principles (FP) ones. We demonstrate that Srel inherently measures fluctuations in the differences between CG and FP potential energy landscapes, and develop a theory that tightly and generally links it to errors associated with coarse graining. We consider two simple case studies substantiating these results, and suggest that… CONTINUE READING

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