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Dear all,
BAGEL is really fast for CASPT2 calculation and easy to use. But constrained optimization is not yet implemented in BAGEL. Prof Toru Shiozaki mentioned that it might be possible to utiliz…
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I think some of the TVP fits in the TVP notebook can be improved by using different priors on the GP.
Basically, I'd propose to:
1. Use the PC prior as the default prior for a GP TVP.
2. Allow th…
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https://arxiv.org/abs/2312.07083
> single-objective, box-constrained, continuous numerical optimization
>
> broad array of morphological features, from unimodal to highly multimodal functions, v…
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- [ ] Implement `AllResults` API from ForwardDiff
- [ ] Implement box-constrained dynamic direction choice for constrained optimization
- [ ] Implement method to calculate Jacobians
- [x] Write some b…
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#### Describe the bug
I ran into these results when running a constrained optimization GLM using Tweedie(var_power=1.5). I believe more than the constrained optimization itself, this is related to …
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## design Region
- Allow for non-uniform pixel size (eg. a 2D slab). maybe an option to set some dimensions to 1 pixel? `single_pixel_dims=(False, False, True)`?
## Postprocessing Functions
- [ ]…
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I love the feature for constrained geometry searches that allows you to point and click at the bonds, angles, torsions to be constrained.
It would be amazing if there was a similar feature for poi…
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### Describe the bug
When using ABACUS for cell-relax, the `fixed_axes c` option was used, and as a result, both lattice vectors **_a_** and **_b_** have components in the **_z_**-direction. How to o…
xdzhu updated
1 month ago
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# Adding an optimization module
For now, Tensorly (TL) ships with one API for each particular tensor decomposition model. While this has the advantage of simplicity for the end-user, this limits the …
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I have two suggestions for possible improvements as follows:
1. **Sparse matrix:** In some practical problems (e.g., document classification) where the covariate matrix is extremely sparse, can ``sk…