A probabilistic metric for the validation of computational models (vol 5, 180687, 2018)

Dvurecenska, Ksenija ORCID: 0000-0003-0642-1095, Graham, Steve, Patelli, Edoardo and Patterson, Eann A ORCID: 0000-0003-4397-2160 (2019) A probabilistic metric for the validation of computational models (vol 5, 180687, 2018) ROYAL SOCIETY OPEN SCIENCE, 6 (12). 191986-. ISSN 2054-5703, 2054-5703

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Abstract

A small error has been highlighted by someone attempting to implement our validation metric described in this paper. The error occurs in equation (3.4), where w<inf>k</inf> should be e<inf>k</inf>; and the same correction should be made in the expression in the text in the following line and in the text two lines above, which implies in the same line, that the word 'weighted' should be moved to appear before 'sum'. Hence, the second sentence on page 6 should read: 'Once these three steps were completed, the errors, e<inf>k</inf> were compared to the error threshold, e<inf>th</inf> and the weighted sum of those errors less than the threshold computed to yield the validation metric, VM, i.e.(Formula Persented). i where || is an indicator function which takes the value 1 when e<inf>k</inf> , e<inf>th</inf> and otherwise has a value zero'. The correction has no implications for the results or conclusion because the algorithm used to process the data, and provided in the Dryad Digital Repository, used the above version.

Item Type:	Article
Uncontrolled Keywords:	46 Information and Computing Sciences, 34 Chemical Sciences, 3407 Theoretical and Computational Chemistry
Depositing User:	Symplectic Admin
Date Deposited:	20 Jan 2020 08:55
Last Modified:	16 Jun 2026 07:15
DOI:	10.1098/rsos.191986
Open Access URL:	https://royalsocietypublishing.org/doi/full/10.109...
Related Websites:	Author Publisher
URI:	https://livrepository.liverpool.ac.uk/id/eprint/3071347
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