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Mentioned by @ahwillia in the [JOSS review](https://github.com/openjournals/joss-reviews/issues/615#issuecomment-373460590).
> Is there a nice API to do a nested optimization? Let's say I wanted t…
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When a cutoff is used in a non-periodic system, reaction-field electrostatics should not be used.
I may be reading the code wrong, but this seems to suggest that reaction-field electrostatics are use…
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This is a general topic for Calamari.
ghost updated
5 years ago
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Hi,
https://gist.github.com/pavelponomarev/20ea37324b219c7ed461/revisions
This file is modified to enable utilization of multiprocessing.Pool.map(func, iterable[, chunksize]) for parallel evaluation …
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There currently exists tf.hessians function which returns 2nd order *y* derivatives w.r.t. to a specified tensor *x*. Currently *x* has to be one dimensional.
In my application, I need to different…
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Hi,
We try to solve a fused lasso problem with a slightly different loss function. In our case the loss function is weighted as
min ||Wi(Xi-Yi)||^2 + lambda ....
To adapt proxTV to this cas…
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As discussed in #3874: this class has a number of caveats. At a minimum I think that we should describe the one case in which one can actually achieve something useful with this class (quadratic eleme…
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Hi,
I am trying to use the non-differentiable statistics to compute the p-values. My code is as follows:
```
sample_1 = Variable(torch.FloatTensor(sample_1))
sample_2 = Variable(torch.FloatTenso…
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## Issue description
If we have a calculation graph where a node includes values with undefined gradients and we de-select
those values, the resulting gradient is wrong.
Let `f` be a function n…
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DiffEq's first PDE attempt (which started the package) was a failure. The issue was that it was tied directly to an FEM subpackage I made internally, but then it couldn't scale to all of the problems …