Neuro-genetic approach for immersed CBR index prediction

2016 ◽  
pp. 143-148
Author(s):  
M Bourouis ◽  
A Zadjaoui ◽  
A Djedid
Keyword(s):  
Genetic Approach

`Diet GMKTN55' Offers Accelerated Benchmarking Through a Representative Subset Approach

2018 ◽  
Author(s):  
Tim Gould
Keyword(s):  
Density Functional ◽  
Chem Phys ◽  
Comprehensive Analysis ◽  
Genetic Approach ◽  
Representative Subset ◽  
Phys Chem Chem Phys

The GMTKN55 benchmarking protocol introduced by [Goerigk et al., Phys. Chem. Chem. Phys., 2017, 19, 32184] allows comprehensive analysis and ranking of density functional approximations with diverse chemical behaviours. But this comprehensiveness comes at a cost: GMTKN55's 1500 benchmarking values require energies for around 2500 systems to be calculated, making it a costly exercise. This manuscript introduces three subsets of GMTKN55, consisting of 30, 100 and 150 systems, as `diet' substitutes for the full database. The subsets are chosen via a stochastic genetic approach, and consequently can reproduce key results of the full GMTKN55 database, including ranking of approximations.

A UNIFYING GENETIC APPROACH TO BOUNDING SURFACES IN ERG SYSTEMS

2019 ◽  
Author(s):  
Marjorie A. Chan ◽  
◽  
Stephen T. Hasiotis ◽  
Judith Totman Parrish
Keyword(s):  
Genetic Approach ◽  
Bounding Surfaces
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