Justin MacCallum

@ChrisRackauckas Thanks for the reply. I can see now that many of the pullbacks defined for common operations, like `getindex` mutate in-place, which prevents Zygote from being nested. Do you...

Here is one approach I tried using `ForwardDiff` to calculate the inner directional derivative and Zygote for the outer gradient. If I don't include `DiffEqFlux`, I get an error about...

This version tries to use a single network with Zygote for the inner gradient and `ReverseDiff` for the outer. It fails with (full traceback below): `ERROR: LoadError: ArgumentError: indexed assignment...

Not a huge amount of progress on our end. I suspect the issues are on our end, but I'm not sure how to troubleshoot or debug them. The issues really...

We're using openmpi 4.x.x (tried various versions), as well as intel mpi. Using `export LD_PRELOAD=...` gives the following error: ``` -------------------------------------------------------------------------- An ORTE daemon has unexpectedly failed after launch and...

Thanks, the `NumSysLog` does seem to help, although some instability still crops up. Yes, the equilibrium constant is enormous, which is basically due to the 50:1 stoichiometry of aggregate formation....

To be honest, the details of constraint algorithms are something I've never really dug into. Yes, LINCS only uses two steps. I'm actually surprised it works on a system like...

Is it reasonble to make something like that as a default in the name of improved stability in difficult cases, presumably at the expense of slow convergence in more typical...

I translated the C++ code into python to make it a bit easier to experiment. The solution is definitely overshooting/oscillating, which causes it to blow up eventually for this particular...

I did a similar re-implementation, but like you I found that convergence was much slower. I noticed one other thing. The approximation of the inverse Jacobian doesn’t quite seem right....