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https://github.com/flaport/torch_sparse_solve

A sparse KLU solver for PyTorch.
https://github.com/flaport/torch_sparse_solve

klu-algorithm python pytorch sparse sparse-linear-systems sparse-matrices sparse-matrix suitesparse

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A sparse KLU solver for PyTorch.

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README

        

# Torch Sparse Solve

An alternative to `torch.solve` for sparse PyTorch CPU tensors using
the efficient
[KLU algorithm](https://ufdcimages.uflib.ufl.edu/UF/E0/01/17/21/00001/palamadai_e.pdf).

## CPU tensors only

This library is a wrapper around the
[SuiteSparse](https://github.com/DrTimothyAldenDavis/SuiteSparse) KLU
algorithms. This means the algorithm is only implemented for
C-arrays and hence is only available for PyTorch CPU
tensors. However, for large, sparse enough tensors, it might still be
worth doing the GPU→CPU conversion.

## Usage

The `torch_sparse_solve` library provides a single function `solve(A, b)`, which solves for `x` in the **batched matrix × batched matrix**
system `Ax=b` for `torch.float64` tensors (notice the different API in comparison to `torch.solve`):

```python
import torch
from torch_sparse_solve import solve
torch.manual_seed(42)
mask = torch.tensor([[[1,0,0],[1,1,0],[0,0,1]]], dtype=torch.float64)
A = (mask * torch.randn(4, 3, 3, dtype=torch.float64)).to_sparse()
b = torch.randn(4, 3, 2, dtype=torch.float64)
x = solve(A, b)

# compare to torch.solve:
A = A.to_dense()
print( (x - torch.solve(b, A)[0] < 1e-9).all() )
```

`True`

## Caveats

There are two major caveats you should be aware of when using
`torch_sparse_solve.solve(A, b)`:

- `A` should be 'dense' in the first dimension, i.e. the batch dimension
should contain as many elements as the batch size.

- `A` should have the same sparsity pattern for every element in the batch.
If this is not the case, you have two options:

1. Create a new sparse matrix with the same sparsity pattern for
every element in the batch by adding zeros to the sparse
representation.
2. **OR** loop over the batch dimension and solve sequentially, i.e.
with shapes `(1, m, m)` and `(1, m, n)` for each element in `A` and `b`
respectively.

- `solve` is differentiable, but only for the non-zero elements of `A` (which in most
cases is what you want anyway).

## Installation

The library can be installed with `pip`:

```bash
pip install torch_sparse_solve
```

Please note that no pre-built wheels exist. This means that `pip` will
attempt to install the library from source. Make sure you have the
necessary dependencies installed for your OS.

## Dependencies

### Linux

On Linux, having PyTorch, scipy and suitesparse installed is often
enough to be able install the library (along with the typical
developer tools for your distribution). Run the following inside a
conda environment:

```bash
conda install suitesparse scipy
conda install pytorch -c pytorch
pip install torch_sparse_solve
```

### Windows

On Windows, the installation process is a bit more involved as
typically the build dependencies are not installed. To install those,
download **Visual Studio Community 2017** from
[here](https://my.visualstudio.com/Downloads?q=visual%20studio%202017&wt.mc_id=o~msft~vscom~older-downloads).
During installation, go to **Workloads** and select the following
workloads:

- Desktop development with C++
- Python development

Then go to **Individual Components** and select the following
additional items:

- C++/CLI support
- VC++ 2015.3 v14.00 (v140) toolset for desktop

Then, download and install Microsoft Visual C++ Redistributable from
[here](https://aka.ms/vs/16/release/vc_redist.x64.exe).

After these installation steps, run the following commands _inside_ a
**x64 Native Tools Command Prompt for VS 2017**, after activating your
conda environment:

```bash
set DISTUTILS_USE_SDK=1
conda install suitesparse scipy
conda install pytorch -c pytorch
pip install torch_sparse_solve
```

## License & Credits

© Floris Laporte 2020, LGPL-2.1

This library was partly based on:

- [SuiteSparse](https://github.com/DrTimothyAldenDavis/SuiteSparse), LGPL-2.1
- [kagami-c/PyKLU](https://github.com/kagami-c/PyKLU), LGPL-2.1
- [scipy.sparse](https://github.com/scipy/scipy/tree/master/scipy/sparse), BSD-3