Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: ChemNODE: A Neural Ordinary Differential Equations Approach for Chemical
  Kinetics Solvers   Solving for detailed chemical kinetics remains one of the major bottlenecks
for computational fluid dynamics simulations of reacting flows using a
finite-rate-chemistry approach. This has motivated the use of fully connected
artificial neural networks to predict stiff chemical source terms as functions
of the thermochemical state of the combustion system. However, due to the
nonlinearities and multi-scale nature of combustion, the predicted solution
often diverges from the true solution when these deep learning models are
coupled with a computational fluid dynamics solver. This is because these
approaches minimize the error during training without guaranteeing successful
integration with ordinary differential equation solvers. In the present work, a
novel neural ordinary differential equations approach to modeling chemical
kinetics, termed as ChemNODE, is developed. In this deep learning framework,
the chemical source terms predicted by the neural networks are integrated
during training, and by computing the required derivatives, the neural network
weights are adjusted accordingly to minimize the difference between the
predicted and ground-truth solution. A proof-of-concept study is performed with
ChemNODE for homogeneous autoignition of hydrogen-air mixture over a range of
composition and thermodynamic conditions. It is shown that ChemNODE accurately
captures the correct physical behavior and reproduces the results obtained
using the full chemical kinetic mechanism at a fraction of the computational
cost.

23
The categories of this paper are: solv-int
28
The categories of this paper are: alg-geom
9
The categories of this paper are: nlin
6
The categories of this paper are: astro-ph
24
The categories of this paper are: dg-ga
36
The categories of this paper are: cmp-lg
29
The categories of this paper are: funct-an
22
The categories of this paper are: chao-dyn
14
The categories of this paper are: math-ph
16
The categories of this paper are: stat
18
The categories of this paper are: econ
20
The categories of this paper are: acc-phys
34
The categories of this paper are: chem-ph
17
The categories of this paper are: q-fin
10
The categories of this paper are: q-bio
2
The categories of this paper are: math