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@@ -22,19 +22,53 @@ A Python package for graph kernels, graph edit distances and graph pre-image pro

## How to use?

### Install the library

* Install stable version from PyPI (may not be up-to-date):
```
$ pip install graphkit-learn
```

* Install latest version from GitHub:
```
$ git clone https://github.com/jajupmochi/graphkit-learn.git
$ cd graphkit-learn/
$ python setup.py install
```

### Run the test

A series of [tests](https://github.com/jajupmochi/graphkit-learn/tree/master/gklearn/tests) can be run to check if the library works correctly.
```
$ pip install -U pip pytest codecov coverage pytest-cov
$ pytest -v --cov-config=.coveragerc --cov-report term --cov=gklearn gklearn/tests/
```

### Check examples

A series of demos of using the library can be found on [Google Colab](https://drive.google.com/drive/folders/1r2gtPuFzIys2_MZw1wXqE2w3oCoVoQUG?usp=sharing) and in the [`example`](https://github.com/jajupmochi/graphkit-learn/tree/master/gklearn/examples) folder.

### Other demos

Simply clone this repository and voilà! Then check [`notebooks`](https://github.com/jajupmochi/graphkit-learn/tree/master/notebooks) directory for demos:
* [`notebooks`](https://github.com/jajupmochi/graphkit-learn/tree/master/notebooks) directory includes test codes of graph kernels based on linear patterns;
* [`notebooks/tests`](https://github.com/jajupmochi/graphkit-learn/tree/master/notebooks/tests) directory includes codes that test some libraries and functions;
* [`notebooks/utils`](https://github.com/jajupmochi/graphkit-learn/tree/master/notebooks/utils) directory includes some useful tools, such as a Gram matrix checker and a function to get properties of datasets;
* [`notebooks/else`](https://github.com/jajupmochi/graphkit-learn/tree/master/notebooks/else) directory includes other codes that we used for experiments.

## List of graph kernels
### Check the docs.

The docs of the library can be found [here](https://graphkit-learn.readthedocs.io/en/master/?badge=master).

## Main contents.

### List of graph kernels

* Based on walks
* The common walk kernel [1]
* Exponential
* Geometric
* The marginalized kenrel
* [The marginalized kenrel](https://github.com/jajupmochi/graphkit-learn/blob/master/gklearn/kernels/marginalized.py)
* With tottering [2]
* Without tottering [7]
* The generalized random walk kernel [3]
@@ -43,15 +77,27 @@ Simply clone this repository and voilà! Then check [`notebooks`](https://github
* Fixed-point iterations
* Spectral decomposition
* Based on paths
* The shortest path kernel [4]
* The structural shortest path kernel [5]
* The path kernel up to length h [6]
* [The shortest path kernel](https://github.com/jajupmochi/graphkit-learn/blob/master/gklearn/kernels/shortest_path.py) [4]
* [The structural shortest path kernel](https://github.com/jajupmochi/graphkit-learn/blob/master/gklearn/kernels/structural_sp.py) [5]
* [The path kernel up to length h](https://github.com/jajupmochi/graphkit-learn/blob/master/gklearn/kernels/path_up_to_h.py) [6]
* The Tanimoto kernel
* The MinMax kernel
* Non-linear kernels
* The treelet kernel [10]
* Weisfeiler-Lehman kernel [11]
* Subtree
* [The treelet kernel](https://github.com/jajupmochi/graphkit-learn/blob/master/gklearn/kernels/treelet.py) [10]
* [Weisfeiler-Lehman kernel](https://github.com/jajupmochi/graphkit-learn/blob/master/gklearn/kernels/weisfeiler_lehman.py) [11]
* [Subtree](https://github.com/jajupmochi/graphkit-learn/blob/master/gklearn/kernels/weisfeiler_lehman.py#L479)

A demo of computing graph kernels can be found on [Google Colab](https://colab.research.google.com/drive/17Q2QCl9CAtDweGF8LiWnWoN2laeJqT0u?usp=sharing) and in the [`examples`](https://github.com/jajupmochi/graphkit-learn/blob/master/gklearn/examples/compute_graph_kernel.py) folder.

### Graph Edit Distances

### Graph preimage methods

A demo of generating graph preimages can be found on [Google Colab](https://colab.research.google.com/drive/1PIDvHOcmiLEQ5Np3bgBDdu0kLOquOMQK?usp=sharing) and in the [`examples`](https://github.com/jajupmochi/graphkit-learn/blob/master/gklearn/examples/median_preimege_generator.py) folder.

### Interface to `GEDLIB`

[`GEDLIB`](https://github.com/dbblumenthal/gedlib) is an easily extensible C++ library for (suboptimally) computing the graph edit distance between attributed graphs. A Python interface for `GEDLIB` is integrated in this library, based on [`gedlibpy`](https://github.com/Ryurin/gedlibpy) library.

## Computation optimization methods

@@ -81,6 +127,10 @@ Linlin Jia, Benoit Gaüzère, and Paul Honeine. Graph Kernels Based on Linear Pa

A comparison of performances of graph kernels on benchmark datasets can be found [here](https://graphkit-learn.readthedocs.io/en/master/experiments.html).

## How to contribute

Fork the library and open a pull request! Make your own contribute to the community!

## References
[1] Thomas Gärtner, Peter Flach, and Stefan Wrobel. On graph kernels: Hardness results and efficient alternatives. Learning Theory and Kernel Machines, pages 129–143, 2003.



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