modsim / CADET

A modular, fast, and accurate simulation framework for (column) liquid chromatography
GNU General Public License v3.0
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Implement adjoint sensitivity analysis #19

Open schmoelder opened 4 years ago

schmoelder commented 4 years ago

Currently, only first order derivatives are provided using Forward Mode Algorithmic Differentiation. If implemented, the efficiency for first order would be much higher and second order would be possible with reasonable effort.

sleweke commented 4 years ago

There are several ways to do it:

Personally, I'm in favor of continuous adjoints, but it is not clear how to do rapid-equilibrium binding. Discrete adjoints are doable, especially if we have removed domain decomposition and switched to DG #22. For the backwards integration, we need to solve with the transposed Jacobian.