egobox


Nameegobox JSON
Version 0.18.1 PyPI version JSON
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home_pageNone
SummaryA toolbox for efficient global optimization
upload_time2024-04-10 11:10:54
maintainerNone
docs_urlNone
authorRémi Lafage <remi.lafage@onera.fr>
requires_pythonNone
licenseApache-2.0
keywords machine-learning doe gaussian-process mixture-of-experts optimization
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requirements No requirements were recorded.
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            # egobox

[![tests](https://github.com/relf/egobox/workflows/tests/badge.svg)](https://github.com/relf/egobox/actions?query=workflow%3Atests)
[![pytests](https://github.com/relf/egobox/workflows/pytests/badge.svg)](https://github.com/relf/egobox/actions?query=workflow%3Apytests)
[![linting](https://github.com/relf/egobox/workflows/lint/badge.svg)](https://github.com/relf/egobox/actions?query=workflow%3Alint)
[![DOI](https://joss.theoj.org/papers/10.21105/joss.04737/status.svg)](https://doi.org/10.21105/joss.04737)

Rust toolbox for Efficient Global Optimization algorithms inspired from [SMT](https://github.com/SMTorg/smt).

`egobox` is twofold:

1. for end-users: [a Python module](#the-python-module), the Python binding of the optimizer named `Egor` and the surrogate model `Gpx`, mixture of Gaussian processes, written in Rust.
2. for developers: [a set of Rust libraries](#the-rust-libraries) useful to implement bayesian optimization (EGO-like) algorithms,

## The Python module

Thanks to the [PyO3 project](https://pyo3.rs), which makes Rust well suited for building Python extensions.
You can install the Python package using:

```bash
pip install egobox
```

See the [tutorial notebooks](https://github.com/relf/egobox/tree/master/doc/README.md) for usage of the optimizer
and mixture of Gaussian processes surrogate model.

## The Rust libraries

`egobox` Rust libraries consists of the following sub-packages.

| Name                                                  | Version                                                                                         | Documentation                                                               | Description                                                                               |
| :---------------------------------------------------- | :---------------------------------------------------------------------------------------------- | :-------------------------------------------------------------------------- | :---------------------------------------------------------------------------------------- |
| [doe](https://github.com/relf/egobox/tree/master/doe) | [![crates.io](https://img.shields.io/crates/v/egobox-doe)](https://crates.io/crates/egobox-doe) | [![docs](https://docs.rs/egobox-doe/badge.svg)](https://docs.rs/egobox-doe) | sampling methods; contains LHS, FullFactorial, Random methods                             |
| [gp](https://github.com/relf/egobox/tree/master/gp)   | [![crates.io](https://img.shields.io/crates/v/egobox-gp)](https://crates.io/crates/egobox-gp)   | [![docs](https://docs.rs/egobox-gp/badge.svg)](https://docs.rs/egobox-gp)   | gaussian process regression; contains Kriging, PLS dimension reduction and sparse methods |
| [moe](https://github.com/relf/egobox/tree/master/moe) | [![crates.io](https://img.shields.io/crates/v/egobox-moe)](https://crates.io/crates/egobox-moe) | [![docs](https://docs.rs/egobox-moe/badge.svg)](https://docs.rs/egobox-moe) | mixture of experts using GP models                                                        |
| [ego](https://github.com/relf/egobox/tree/master/ego) | [![crates.io](https://img.shields.io/crates/v/egobox-ego)](https://crates.io/crates/egobox-ego) | [![docs](https://docs.rs/egobox-ego/badge.svg)](https://docs.rs/egobox-ego) | efficient global optimization with constraints and mixed integer handling                 |

### Usage

Depending on the sub-packages you want to use, you have to add following declarations to your `Cargo.toml`

```text
[dependencies]
egobox-doe = { version = "0.18" }
egobox-gp  = { version = "0.18" }
egobox-moe = { version = "0.18" }
egobox-ego = { version = "0.18" }
```

### Features

The table below presents the various features available depending on the subcrate

| Name         | doe  | gp   | moe  | ego  |
| :----------- | :--- | :--- | :--- | :--- |
| serializable | ✔️    | ✔️    | ✔️    |      |
| persistent   |      |      | ✔️    | ✔️(*) |
| blas         |      | ✔️    | ✔️    | ✔️    |
| nlopt        |      | ✔️    |      | ✔️    |

(*) required for mixed-variable gaussian process

#### serializable

When selected, the serialization with [serde crate](https://serde.rs/) is enabled.

#### persistent

When selected, the save and load as a json file with [serde_json crate](https://serde.rs/) is enabled.

#### blas

When selected, the usage of BLAS/LAPACK backend is possible, see [below](#blaslapack-backend-optional) for more information.

#### nlopt

When selected, the [nlopt crate](https://github.com/adwhit/rust-nlopt) is used to provide optimizer implementations (ie Cobyla, Slsqp)

### Examples

Examples (in `examples/` sub-packages folder) are run as follows:

```bash
cd doe && cargo run --example samplings --release
```

``` bash
cd gp && cargo run --example kriging --release
```

``` bash
cd moe && cargo run --example clustering --release
```

``` bash
cd ego && cargo run --example ackley --release
```

### BLAS/LAPACK backend (optional)

`egobox` relies on [linfa](https://github.com/rust-ml/linfa) project for methods like clustering and dimension reduction, but also try to adopt as far as possible the same [coding structures](https://github.com/rust-ml/linfa/blob/master/CONTRIBUTE.md).

As for `linfa`, the linear algebra routines used in `gp`, `moe` ad `ego` are provided by the pure-Rust [linfa-linalg](https://github.com/rust-ml/linfa-linalg) crate, the default linear algebra provider.

Otherwise, you can choose an external BLAS/LAPACK backend available through the [ndarray-linalg](https://github.com/rust-ndarray/ndarray-linalg) crate. In this case, you have to specify the `blas` feature and a `linfa` [BLAS/LAPACK backend feature](https://github.com/rust-ml/linfa#blaslapack-backend) (more information in [linfa features](https://github.com/rust-ml/linfa#blaslapack-backend)).

Thus, for instance, to use `gp` with the Intel MKL BLAS/LAPACK backend, you could specify in your `Cargo.toml` the following features:

```text
[dependencies]
egobox-gp = { version = "0.18", features = ["blas", "linfa/intel-mkl-static"] }
```

or you could run the `gp` example as follows:

``` bash
cd gp && cargo run --example kriging --release --features blas,linfa/intel-mkl-static
```

## Citation

[![DOI](https://joss.theoj.org/papers/10.21105/joss.04737/status.svg)](https://doi.org/10.21105/joss.04737)

If you find this project useful for your research, you may cite it as follows:

```text
@article{
  Lafage2022, 
  author = {Rémi Lafage}, 
  title = {egobox, a Rust toolbox for efficient global optimization}, 
  journal = {Journal of Open Source Software} 
  year = {2022}, 
  doi = {10.21105/joss.04737}, 
  url = {https://doi.org/10.21105/joss.04737}, 
  publisher = {The Open Journal}, 
  volume = {7}, 
  number = {78}, 
  pages = {4737}, 
} 
```

Additionally, you may consider adding a star to the repository. This positive feedback improves the visibility of the project.


            

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    "description": "# egobox\n\n[![tests](https://github.com/relf/egobox/workflows/tests/badge.svg)](https://github.com/relf/egobox/actions?query=workflow%3Atests)\n[![pytests](https://github.com/relf/egobox/workflows/pytests/badge.svg)](https://github.com/relf/egobox/actions?query=workflow%3Apytests)\n[![linting](https://github.com/relf/egobox/workflows/lint/badge.svg)](https://github.com/relf/egobox/actions?query=workflow%3Alint)\n[![DOI](https://joss.theoj.org/papers/10.21105/joss.04737/status.svg)](https://doi.org/10.21105/joss.04737)\n\nRust toolbox for Efficient Global Optimization algorithms inspired from [SMT](https://github.com/SMTorg/smt).\n\n`egobox` is twofold:\n\n1. for end-users: [a Python module](#the-python-module), the Python binding of the optimizer named `Egor` and the surrogate model `Gpx`, mixture of Gaussian processes, written in Rust.\n2. for developers: [a set of Rust libraries](#the-rust-libraries) useful to implement bayesian optimization (EGO-like) algorithms,\n\n## The Python module\n\nThanks to the [PyO3 project](https://pyo3.rs), which makes Rust well suited for building Python extensions.\nYou can install the Python package using:\n\n```bash\npip install egobox\n```\n\nSee the [tutorial notebooks](https://github.com/relf/egobox/tree/master/doc/README.md) for usage of the optimizer\nand mixture of Gaussian processes surrogate model.\n\n## The Rust libraries\n\n`egobox` Rust libraries consists of the following sub-packages.\n\n| Name                                                  | Version                                                                                         | Documentation                                                               | Description                                                                               |\n| :---------------------------------------------------- | :---------------------------------------------------------------------------------------------- | :-------------------------------------------------------------------------- | :---------------------------------------------------------------------------------------- |\n| [doe](https://github.com/relf/egobox/tree/master/doe) | [![crates.io](https://img.shields.io/crates/v/egobox-doe)](https://crates.io/crates/egobox-doe) | [![docs](https://docs.rs/egobox-doe/badge.svg)](https://docs.rs/egobox-doe) | sampling methods; contains LHS, FullFactorial, Random methods                             |\n| [gp](https://github.com/relf/egobox/tree/master/gp)   | [![crates.io](https://img.shields.io/crates/v/egobox-gp)](https://crates.io/crates/egobox-gp)   | [![docs](https://docs.rs/egobox-gp/badge.svg)](https://docs.rs/egobox-gp)   | gaussian process regression; contains Kriging, PLS dimension reduction and sparse methods |\n| [moe](https://github.com/relf/egobox/tree/master/moe) | [![crates.io](https://img.shields.io/crates/v/egobox-moe)](https://crates.io/crates/egobox-moe) | [![docs](https://docs.rs/egobox-moe/badge.svg)](https://docs.rs/egobox-moe) | mixture of experts using GP models                                                        |\n| [ego](https://github.com/relf/egobox/tree/master/ego) | [![crates.io](https://img.shields.io/crates/v/egobox-ego)](https://crates.io/crates/egobox-ego) | [![docs](https://docs.rs/egobox-ego/badge.svg)](https://docs.rs/egobox-ego) | efficient global optimization with constraints and mixed integer handling                 |\n\n### Usage\n\nDepending on the sub-packages you want to use, you have to add following declarations to your `Cargo.toml`\n\n```text\n[dependencies]\negobox-doe = { version = \"0.18\" }\negobox-gp  = { version = \"0.18\" }\negobox-moe = { version = \"0.18\" }\negobox-ego = { version = \"0.18\" }\n```\n\n### Features\n\nThe table below presents the various features available depending on the subcrate\n\n| Name         | doe  | gp   | moe  | ego  |\n| :----------- | :--- | :--- | :--- | :--- |\n| serializable | \u2714\ufe0f    | \u2714\ufe0f    | \u2714\ufe0f    |      |\n| persistent   |      |      | \u2714\ufe0f    | \u2714\ufe0f(*) |\n| blas         |      | \u2714\ufe0f    | \u2714\ufe0f    | \u2714\ufe0f    |\n| nlopt        |      | \u2714\ufe0f    |      | \u2714\ufe0f    |\n\n(*) required for mixed-variable gaussian process\n\n#### serializable\n\nWhen selected, the serialization with [serde crate](https://serde.rs/) is enabled.\n\n#### persistent\n\nWhen selected, the save and load as a json file with [serde_json crate](https://serde.rs/) is enabled.\n\n#### blas\n\nWhen selected, the usage of BLAS/LAPACK backend is possible, see [below](#blaslapack-backend-optional) for more information.\n\n#### nlopt\n\nWhen selected, the [nlopt crate](https://github.com/adwhit/rust-nlopt) is used to provide optimizer implementations (ie Cobyla, Slsqp)\n\n### Examples\n\nExamples (in `examples/` sub-packages folder) are run as follows:\n\n```bash\ncd doe && cargo run --example samplings --release\n```\n\n``` bash\ncd gp && cargo run --example kriging --release\n```\n\n``` bash\ncd moe && cargo run --example clustering --release\n```\n\n``` bash\ncd ego && cargo run --example ackley --release\n```\n\n### BLAS/LAPACK backend (optional)\n\n`egobox` relies on [linfa](https://github.com/rust-ml/linfa) project for methods like clustering and dimension reduction, but also try to adopt as far as possible the same [coding structures](https://github.com/rust-ml/linfa/blob/master/CONTRIBUTE.md).\n\nAs for `linfa`, the linear algebra routines used in `gp`, `moe` ad `ego` are provided by the pure-Rust [linfa-linalg](https://github.com/rust-ml/linfa-linalg) crate, the default linear algebra provider.\n\nOtherwise, you can choose an external BLAS/LAPACK backend available through the [ndarray-linalg](https://github.com/rust-ndarray/ndarray-linalg) crate. In this case, you have to specify the `blas` feature and a `linfa` [BLAS/LAPACK backend feature](https://github.com/rust-ml/linfa#blaslapack-backend) (more information in [linfa features](https://github.com/rust-ml/linfa#blaslapack-backend)).\n\nThus, for instance, to use `gp` with the Intel MKL BLAS/LAPACK backend, you could specify in your `Cargo.toml` the following features:\n\n```text\n[dependencies]\negobox-gp = { version = \"0.18\", features = [\"blas\", \"linfa/intel-mkl-static\"] }\n```\n\nor you could run the `gp` example as follows:\n\n``` bash\ncd gp && cargo run --example kriging --release --features blas,linfa/intel-mkl-static\n```\n\n## Citation\n\n[![DOI](https://joss.theoj.org/papers/10.21105/joss.04737/status.svg)](https://doi.org/10.21105/joss.04737)\n\nIf you find this project useful for your research, you may cite it as follows:\n\n```text\n@article{\n  Lafage2022, \n  author = {R\u00e9mi Lafage}, \n  title = {egobox, a Rust toolbox for efficient global optimization}, \n  journal = {Journal of Open Source Software} \n  year = {2022}, \n  doi = {10.21105/joss.04737}, \n  url = {https://doi.org/10.21105/joss.04737}, \n  publisher = {The Open Journal}, \n  volume = {7}, \n  number = {78}, \n  pages = {4737}, \n} \n```\n\nAdditionally, you may consider adding a star to the repository. 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