https://github.com/aspuru-guzik-group/golem

Golem: an algorithm for robust experiment and process optimization
https://github.com/aspuru-guzik-group/golem

experimental-design machine-learning optimization

Last synced: 22 days ago
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Golem: an algorithm for robust experiment and process optimization

• Host: GitHub
• URL: https://github.com/aspuru-guzik-group/golem
• Owner: aspuru-guzik-group
• License: mit
• Created: 2019-10-29T19:16:08.000Z (over 4 years ago)
• Default Branch: master
• Last Pushed: 2021-03-08T23:26:38.000Z (over 3 years ago)
• Last Synced: 2024-03-14T16:23:38.992Z (4 months ago)
• Topics: experimental-design, machine-learning, optimization
• Language: Jupyter Notebook
• Homepage: https://aspuru-guzik-group.github.io/golem/
• Size: 16.2 MB
• Stars: 13
• Watchers: 5
• Forks: 0
• Open Issues: 3
• Metadata Files:
  • Readme: README.md
  • License: LICENSE

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• awesome-self-driving-labs - Golem

README

        
# Golem: An algorithm for robust experiment and process optimization

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[![codecov](https://codecov.io/gh/aspuru-guzik-group/golem/branch/master/graph/badge.svg?token=pHQ8Z50qf8)](https://codecov.io/gh/aspuru-guzik-group/golem)

``Golem`` is an algorithm for robust optimization. It can be used in conjunction with any optimization algorithms or

design of experiment strategy of choice. ``Golem`` helps identifying optimal solutions that are robust to input uncertainty, 

thus ensuring the reproducible performance of optimized experimental protocols and processes. It can be used to analyze 

the robustness of past experiments, or to guide experiment planning algorithms toward robust solutions on the fly. For 

more details on the algorithm and its behaviour please refer to the [publication](https://arxiv.org/abs/2103.03716) and

the [documentation](https://aspuru-guzik-group.github.io/golem/).

###  Installation

``Golem`` can be installed with ``pip``:

```

pip install matter-golem

```

### Dependencies

The installation requires:

* ``python >= 3.7``

* ``numpy``

* ``scipy >= 1.4``

* ``pandas``

* ``scikit-learn``

###  Citation

``Golem`` is research software. If you make use of it in scientific publications, please cite the following article:

```

@misc{golem,

      title={Golem: An algorithm for robust experiment and process optimization}, 

      author={Matteo Aldeghi and Florian Häse and Riley J. Hickman and Isaac Tamblyn and Alán Aspuru-Guzik},

      year={2021},

      eprint={2103.03716},

      archivePrefix={arXiv},

      primaryClass={math.OC}

      }

```

###  License

``Golem`` is distributed under an MIT License.