scholarly journals Solving for high-dimensional committor functions using artificial neural networks

2018 ◽  
Vol 6 (1) ◽  
Author(s):  
Yuehaw Khoo ◽  
Jianfeng Lu ◽  
Lexing Ying
Keyword(s):  
Neural Networks ◽  
Artificial Neural Networks ◽  
High Dimensional ◽  
Artificial Neural

scholarly journals Feature extraction and artificial neural networks for the on-the-fly classification of high-dimensional thermochemical spaces in adaptive-chemistry simulations

2021 ◽  
Vol 2 ◽  
Author(s):  
Giuseppe D’Alessio ◽  
Alberto Cuoci ◽  
Alessandro Parente
Keyword(s):  
Neural Networks ◽  
Feature Extraction ◽  
Artificial Neural Networks ◽  
Laminar Flame ◽  
Principal Component ◽  
Precursor Chemistry ◽  
High Dimensional ◽  
Adaptive Simulation ◽  
Artificial Neural

Abstract The integration of Artificial Neural Networks (ANNs) and Feature Extraction (FE) in the context of the Sample- Partitioning Adaptive Reduced Chemistry approach was investigated in this work, to increase the on-the-fly classification accuracy for very large thermochemical states. The proposed methodology was firstly compared with an on-the-fly classifier based on the Principal Component Analysis reconstruction error, as well as with a standard ANN (s-ANN) classifier, operating on the full thermochemical space, for the adaptive simulation of a steady laminar flame fed with a nitrogen-diluted stream of n-heptane in air. The numerical simulations were carried out with a kinetic mechanism accounting for 172 species and 6,067 reactions, which includes the chemistry of Polycyclic Aromatic Hydrocarbons (PAHs) up to C $ {}_{20} $ . Among all the aforementioned classifiers, the one exploiting the combination of an FE step with ANN proved to be more efficient for the classification of high-dimensional spaces, leading to a higher speed-up factor and a higher accuracy of the adaptive simulation in the description of the PAH and soot-precursor chemistry. Finally, the investigation of the classifier’s performances was also extended to flames with different boundary conditions with respect to the training one, obtained imposing a higher Reynolds number or time-dependent sinusoidal perturbations. Satisfying results were observed on all the test flames.

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