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I have a bit of an odd setup here probably, but I'm compiling on MacOS using Homebrew's clang rather than the system clang due to lack of OpenMP support:
> Homebrew clang version 12.0.0
> Target:…
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## Keyword: sgd
### Doubly Stochastic Models: Learning with Unbiased Label Noises and Inference Stability
- **Authors:** Authors: Haoyi Xiong, Xuhong Li, Boyang Yu, Zhanxing Zhu, Dongrui Wu, Dejin…
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## Expected behavior
I don't know if it's the right place to ask this, but since this place is more familiar with arpack-ng (obviously) than mkl community, this is probably the best place.
I hav…
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lapack is used for solving least squares & generalized eigenvalue problems.
There is no generalized eigenvalue solver (yet?) in these packages, but simultaneous reduction can be computed without:
`…
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Hi MNErs,
First I apologize if this is a trivial question, but I'm struggling to find more information about that.
I've been performing some classification in my data using the CSP class, and no…
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## 🐛 Bug
It seems that `torch.lobpcg` (https://pytorch.org/docs/stable/torch.html?highlight=lobpcg#torch.lobpcg) just always breaks when trying to take gradients via `backward`.
## To Reproduce
…
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### Describe the bug
From 2023-11-29 to 2023-12-12, the variation of the total energy with magnetic moments was observed to be inconsistent between colliear and noncollinear calculations for the AF…
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Lets denote in the t-th SCF iteration, the density matrix that goes in the Kohn-Sham equation D_in^(t), and the solution is D_out^(t). Then we do density mixing to form the next input D_in^(t+1). Now …
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I don't understand some steps in the CSP calculation process, maybe someone could answer these questions:
1. Why there is no "whitening transformation" in the fit process? It is different from the…
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`math.eigs` produces correct eigenvalues with incorrect eigenvectors in some cases. Note that the example in the documentation still seems to give the correct results.
**To Reproduce**
Execute t…