A graph neural network based chemical mechanism reduction method for combustion applications
Direct numerical simulations of turbulent reacting flows involving millions of grid points and detailed chemical mechanisms with hundreds of species and thousands of reactions are computationally prohibitive. To address this challenge, we present two data-driven chemical mechanism reduction formulations based on graph neural networks (GNNs) with message-passing transformer layers that learn nonlinear dependencies among species and reactions. The first formulation, GNN-SM, employs a pre-trained surrogate model to guide reduction across a broad range of reactor conditions. The second formulation, GNN-AE, uses an autoencoder formulation to obtain highly compact mechanisms that remain accurat...
| Authors | Manuru Nithin Padiyar, Priyabrat Dash, Konduri Aditya |
|---|---|
| Primary category | cs.LG |
| Published | 20 March 2026 |
| Last updated at source | 20 March 2026 |
Silytics shows public metadata from arXiv and links to the original. Information may be incomplete or out of date. Last refreshed 17 October 2026. Licenses and terms of the original apply to the work itself. Not financial, legal or professional advice.