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Eigenvalue problems #10

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awvwgk opened this issue Mar 9, 2022 · 2 comments
Open

Eigenvalue problems #10

awvwgk opened this issue Mar 9, 2022 · 2 comments

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@awvwgk
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awvwgk commented Mar 9, 2022

Is it possible to use this library for standard/general eigenvalue problems?

I have an application for quantum chemistry in mind which requires the iterative solution of an general eigenvalue problem.

@yizhang-yiz
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It's not practical to simply insert autodiff variables, aka var into algorithms like lanczos. What's generally done is to implicitly calculate those derivatives using the derivatives of coefficient matrices. See https://jackd.github.io/posts/generalized-eig-jvp/. In that case, one can use AD for coefficient matrix derivatives.

@awvwgk
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awvwgk commented Mar 9, 2022

Thanks for the reference, I'll have a look.

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