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PySR searches for symbolic expressions which optimize a particular objective. https://github.com/MilesCranmer/PySR/assets/7593028/c8511a49-b408-488f-8f18-b1749078268f # PySR: High-Performance Symbolic Regression in Python and Julia | **Docs** | **Forums** | **Paper** | **colab demo** | |:---:|:---:|:---:|:---:| |[![Documentation](https://github.com/MilesCranmer/PySR/actions/workflows/docs.yml/badge.svg)](https://astroautomata.com/PySR/)|[![Discussions](https://img.shields.io/badge/discussions-github-informational)](https://github.com/MilesCranmer/PySR/discussions)|[![Paper](https://img.shields.io/badge/arXiv-2305.01582-b31b1b)](https://arxiv.org/abs/2305.01582)|[![Colab](https://img.shields.io/badge/colab-notebook-yellow)](https://colab.research.google.com/github/MilesCranmer/PySR/blob/master/examples/pysr_demo.ipynb)| | **pip** | **conda** | **Stats** | | :---: | :---: | :---: | |[![PyPI version](https://badge.fury.io/py/pysr.svg)](https://badge.fury.io/py/pysr)|[![Conda Version](https://img.shields.io/conda/vn/conda-forge/pysr.svg)](https://anaconda.org/conda-forge/pysr)|
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If you find PySR useful, please cite the paper [arXiv:2305.01582](https://arxiv.org/abs/2305.01582). If you've finished a project with PySR, please submit a PR to showcase your work on the [research showcase page](https://astroautomata.com/PySR/papers)! **Contents**: - [Contributors](#contributors-) - [Why PySR?](#why-pysr) - [Installation](#installation) - [Quickstart](#quickstart) - [โ†’ Documentation](https://astroautomata.com/PySR)
### Contributors โœจ
We are eager to welcome new contributors! Check out our contributors [guide](https://github.com/MilesCranmer/PySR/blob/master/CONTRIBUTORS.md) for tips ๐Ÿš€. If you have an idea for a new feature, don't hesitate to share it on the [issues](https://github.com/MilesCranmer/PySR/issues) or [discussions](https://github.com/MilesCranmer/PySR/discussions) page.
Mark Kittisopikul
Mark Kittisopikul

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T Coxon
T Coxon

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Dhananjay Ashok
Dhananjay Ashok

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Johan Blรฅbรคck
Johan Blรฅbรคck

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JuliusMartensen
JuliusMartensen

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ngam
ngam

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Kaze Wong
Kaze Wong

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Christopher Rackauckas
Christopher Rackauckas

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Patrick Kidger
Patrick Kidger

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Okon Samuel
Okon Samuel

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William Booth-Clibborn
William Booth-Clibborn

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Pablo Lemos
Pablo Lemos

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Jerry Ling
Jerry Ling

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Charles Fox
Charles Fox

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Johann Brehmer
Johann Brehmer

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Marius Millea
Marius Millea

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Coba
Coba

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Pietro Monticone
Pietro Monticone

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Mateusz Kubica
Mateusz Kubica

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Jay Wadekar
Jay Wadekar

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Anthony Blaom, PhD
Anthony Blaom, PhD

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Jgmedina95
Jgmedina95

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Michael Abbott
Michael Abbott

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Oscar Smith
Oscar Smith

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Eric Hanson
Eric Hanson

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Henrique Becker
Henrique Becker

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qwertyjl
qwertyjl

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Rik Huijzer
Rik Huijzer

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Hongyu Wang
Hongyu Wang

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Saurav Maheshkar
Saurav Maheshkar

๐Ÿ”ง
### Test status | **Linux** | **Windows** | **macOS** | |---|---|---| |[![Linux](https://github.com/MilesCranmer/PySR/actions/workflows/CI.yml/badge.svg)](https://github.com/MilesCranmer/PySR/actions/workflows/CI.yml)|[![Windows](https://github.com/MilesCranmer/PySR/actions/workflows/CI_Windows.yml/badge.svg)](https://github.com/MilesCranmer/PySR/actions/workflows/CI_Windows.yml)|[![macOS](https://github.com/MilesCranmer/PySR/actions/workflows/CI_mac.yml/badge.svg)](https://github.com/MilesCranmer/PySR/actions/workflows/CI_mac.yml)| | **Docker** | **Conda** | **Coverage** | |[![Docker](https://github.com/MilesCranmer/PySR/actions/workflows/CI_docker.yml/badge.svg)](https://github.com/MilesCranmer/PySR/actions/workflows/CI_docker.yml)|[![conda-forge](https://github.com/MilesCranmer/PySR/actions/workflows/CI_conda_forge.yml/badge.svg)](https://github.com/MilesCranmer/PySR/actions/workflows/CI_conda_forge.yml)|[![Coverage Status](https://coveralls.io/repos/github/MilesCranmer/PySR/badge.svg?branch=master&service=github)](https://coveralls.io/github/MilesCranmer/PySR)|
## Why PySR? PySR is an open-source tool for *Symbolic Regression*: a machine learning task where the goal is to find an interpretable symbolic expression that optimizes some objective. Over a period of several years, PySR has been engineered from the ground up to be (1) as high-performance as possible, (2) as configurable as possible, and (3) easy to use. PySR is developed alongside the Julia library [SymbolicRegression.jl](https://github.com/MilesCranmer/SymbolicRegression.jl), which forms the powerful search engine of PySR. The details of these algorithms are described in the [PySR paper](https://arxiv.org/abs/2305.01582). Symbolic regression works best on low-dimensional datasets, but one can also extend these approaches to higher-dimensional spaces by using "*Symbolic Distillation*" of Neural Networks, as explained in [2006.11287](https://arxiv.org/abs/2006.11287), where we apply it to N-body problems. Here, one essentially uses symbolic regression to convert a neural net to an analytic equation. Thus, these tools simultaneously present an explicit and powerful way to interpret deep neural networks. ## Installation ### Pip You can install PySR with pip: ```bash pip install pysr ``` Julia dependencies will be installed at first import. ### Conda Similarly, with conda: ```bash conda install -c conda-forge pysr ``` ### Docker You can also use the `Dockerfile` to install PySR in a docker container 1. Clone this repo. 2. Within the repo's directory, build the docker container: ```bash docker build -t pysr . ``` 3. You can then start the container with an IPython execution with: ```bash docker run -it --rm pysr ipython ``` For more details, see the [docker section](#docker). --- ### Troubleshooting One issue you might run into can result in a hard crash at import with a message like "`GLIBCXX_...` not found". This is due to another one of the Python dependencies loading an incorrect `libstdc++` library. To fix this, you should modify your `LD_LIBRARY_PATH` variable to reference the Julia libraries. For example, if the Julia version of `libstdc++.so` is located in `$HOME/.julia/juliaup/julia-1.10.0+0.x64.linux.gnu/lib/julia/` (which likely differs on your system!), you could add: ``` export LD_LIBRARY_PATH=$HOME/.julia/juliaup/julia-1.10.0+0.x64.linux.gnu/lib/julia/:$LD_LIBRARY_PATH ``` to your `.bashrc` or `.zshrc` file. ## Quickstart You might wish to try the interactive tutorial [here](https://colab.research.google.com/github/MilesCranmer/PySR/blob/master/examples/pysr_demo.ipynb), which uses the notebook in `examples/pysr_demo.ipynb`. In practice, I highly recommend using IPython rather than Jupyter, as the printing is much nicer. Below is a quick demo here which you can paste into a Python runtime. First, let's import numpy to generate some test data: ```python import numpy as np X = 2 * np.random.randn(100, 5) y = 2.5382 * np.cos(X[:, 3]) + X[:, 0] ** 2 - 0.5 ``` We have created a dataset with 100 datapoints, with 5 features each. The relation we wish to model is $2.5382 \cos(x_3) + x_0^2 - 0.5$. Now, let's create a PySR model and train it. PySR's main interface is in the style of scikit-learn: ```python from pysr import PySRRegressor model = PySRRegressor( niterations=40, # < Increase me for better results binary_operators=["+", "*"], unary_operators=[ "cos", "exp", "sin", "inv(x) = 1/x", # ^ Custom operator (julia syntax) ], extra_sympy_mappings={"inv": lambda x: 1 / x}, # ^ Define operator for SymPy as well loss="loss(prediction, target) = (prediction - target)^2", # ^ Custom loss function (julia syntax) ) ``` This will set up the model for 40 iterations of the search code, which contains hundreds of thousands of mutations and equation evaluations. Let's train this model on our dataset: ```python model.fit(X, y) ``` Internally, this launches a Julia process which will do a multithreaded search for equations to fit the dataset. Equations will be printed during training, and once you are satisfied, you may quit early by hitting 'q' and then \. After the model has been fit, you can run `model.predict(X)` to see the predictions on a given dataset using the automatically-selected expression, or, for example, `model.predict(X, 3)` to see the predictions of the 3rd equation. You may run: ```python print(model) ``` to print the learned equations: ```python PySRRegressor.equations_ = [ pick score equation loss complexity 0 0.000000 4.4324794 42.354317 1 1 1.255691 (x0 * x0) 3.437307 3 2 0.011629 ((x0 * x0) + -0.28087974) 3.358285 5 3 0.897855 ((x0 * x0) + cos(x3)) 1.368308 6 4 0.857018 ((x0 * x0) + (cos(x3) * 2.4566472)) 0.246483 8 5 >>>> inf (((cos(x3) + -0.19699033) * 2.5382123) + (x0 *... 0.000000 10 ] ``` This arrow in the `pick` column indicates which equation is currently selected by your `model_selection` strategy for prediction. (You may change `model_selection` after `.fit(X, y)` as well.) `model.equations_` is a pandas DataFrame containing all equations, including callable format (`lambda_format`), SymPy format (`sympy_format` - which you can also get with `model.sympy()`), and even JAX and PyTorch format (both of which are differentiable - which you can get with `model.jax()` and `model.pytorch()`). Note that `PySRRegressor` stores the state of the last search, and will restart from where you left off the next time you call `.fit()`, assuming you have set `warm_start=True`. This will cause problems if significant changes are made to the search parameters (like changing the operators). You can run `model.reset()` to reset the state. You will notice that PySR will save two files: `hall_of_fame...csv` and `hall_of_fame...pkl`. The csv file is a list of equations and their losses, and the pkl file is a saved state of the model. You may load the model from the `pkl` file with: ```python model = PySRRegressor.from_file("hall_of_fame.2022-08-10_100832.281.pkl") ``` There are several other useful features such as denoising (e.g., `denoise=True`), feature selection (e.g., `select_k_features=3`). For examples of these and other features, see the [examples page](https://astroautomata.com/PySR/examples). For a detailed look at more options, see the [options page](https://astroautomata.com/PySR/options). You can also see the full API at [this page](https://astroautomata.com/PySR/api). There are also tips for tuning PySR on [this page](https://astroautomata.com/PySR/tuning). ### Detailed Example The following code makes use of as many PySR features as possible. Note that is just a demonstration of features and you should not use this example as-is. For details on what each parameter does, check out the [API page](https://astroautomata.com/PySR/api/). ```python model = PySRRegressor( procs=4, populations=8, # ^ 2 populations per core, so one is always running. population_size=50, # ^ Slightly larger populations, for greater diversity. ncyclesperiteration=500, # ^ Generations between migrations. niterations=10000000, # Run forever early_stop_condition=( "stop_if(loss, complexity) = loss < 1e-6 && complexity < 10" # Stop early if we find a good and simple equation ), timeout_in_seconds=60 * 60 * 24, # ^ Alternatively, stop after 24 hours have passed. maxsize=50, # ^ Allow greater complexity. maxdepth=10, # ^ But, avoid deep nesting. binary_operators=["*", "+", "-", "/"], unary_operators=["square", "cube", "exp", "cos2(x)=cos(x)^2"], constraints={ "/": (-1, 9), "square": 9, "cube": 9, "exp": 9, }, # ^ Limit the complexity within each argument. # "inv": (-1, 9) states that the numerator has no constraint, # but the denominator has a max complexity of 9. # "exp": 9 simply states that `exp` can only have # an expression of complexity 9 as input. nested_constraints={ "square": {"square": 1, "cube": 1, "exp": 0}, "cube": {"square": 1, "cube": 1, "exp": 0}, "exp": {"square": 1, "cube": 1, "exp": 0}, }, # ^ Nesting constraints on operators. For example, # "square(exp(x))" is not allowed, since "square": {"exp": 0}. complexity_of_operators={"/": 2, "exp": 3}, # ^ Custom complexity of particular operators. complexity_of_constants=2, # ^ Punish constants more than variables select_k_features=4, # ^ Train on only the 4 most important features progress=True, # ^ Can set to false if printing to a file. weight_randomize=0.1, # ^ Randomize the tree much more frequently cluster_manager=None, # ^ Can be set to, e.g., "slurm", to run a slurm # cluster. Just launch one script from the head node. precision=64, # ^ Higher precision calculations. warm_start=True, # ^ Start from where left off. turbo=True, # ^ Faster evaluation (experimental) julia_project=None, # ^ Can set to the path of a folder containing the # "SymbolicRegression.jl" repo, for custom modifications. update=False, # ^ Don't update Julia packages extra_sympy_mappings={"cos2": lambda x: sympy.cos(x)**2}, # extra_torch_mappings={sympy.cos: torch.cos}, # ^ Not needed as cos already defined, but this # is how you define custom torch operators. # extra_jax_mappings={sympy.cos: "jnp.cos"}, # ^ For JAX, one passes a string. ) ``` ### Docker You can also test out PySR in Docker, without installing it locally, by running the following command in the root directory of this repo: ```bash docker build -t pysr . ``` This builds an image called `pysr` for your system's architecture, which also contains IPython. You can then run this with: ```bash docker run -it --rm -v "$PWD:/data" pysr ipython ``` which will link the current directory to the container's `/data` directory and then launch ipython. If you have issues building for your system's architecture, you can emulate another architecture by including `--platform linux/amd64`, before the `build` and `run` commands.