[//]: # (Logo:)
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)|
pip: [![Downloads](https://pepy.tech/badge/pysr)](https://badge.fury.io/py/pysr)
conda: [![Anaconda-Server Badge](https://anaconda.org/conda-forge/pysr/badges/downloads.svg)](https://anaconda.org/conda-forge/pysr)
|
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)!
### Contributors โœจ
We are eager to welcome new contributors and are looking forward to get you up to speed! 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

๐Ÿ’ป ๐Ÿ’ก ๐Ÿš‡ ๐Ÿ“ฆ ๐Ÿ“ฃ ๐Ÿ‘€ ๐Ÿ”ง โš ๏ธ
T Coxon
T Coxon

๐Ÿ› ๐Ÿ’ป ๐Ÿ”Œ ๐Ÿ’ก ๐Ÿš‡ ๐Ÿšง ๐Ÿ‘€ ๐Ÿ”ง โš ๏ธ ๐Ÿ““
Dhananjay Ashok
Dhananjay Ashok

๐Ÿ’ป ๐ŸŒ ๐Ÿ’ก ๐Ÿšง โš ๏ธ
Johan Blรฅbรคck
Johan Blรฅbรคck

๐Ÿ› ๐Ÿ’ป ๐Ÿ’ก ๐Ÿšง ๐Ÿ“ฃ ๐Ÿ‘€ โš ๏ธ ๐Ÿ““
JuliusMartensen
JuliusMartensen

๐Ÿ› ๐Ÿ’ป ๐Ÿ“– ๐Ÿ”Œ ๐Ÿ’ก ๐Ÿš‡ ๐Ÿšง ๐Ÿ“ฆ ๐Ÿ“ฃ ๐Ÿ‘€ ๐Ÿ”ง ๐Ÿ““
ngam
ngam

๐Ÿ’ป ๐Ÿš‡ ๐Ÿ“ฆ ๐Ÿ‘€ ๐Ÿ”ง โš ๏ธ
Kaze Wong
Kaze Wong

๐Ÿ› ๐Ÿ’ป ๐Ÿ’ก ๐Ÿš‡ ๐Ÿšง ๐Ÿ“ฃ ๐Ÿ‘€ ๐Ÿ”ฌ ๐Ÿ““
Christopher Rackauckas
Christopher Rackauckas

๐Ÿ› ๐Ÿ’ป ๐Ÿ”Œ ๐Ÿ’ก ๐Ÿš‡ ๐Ÿ“ฃ ๐Ÿ‘€ ๐Ÿ”ฌ ๐Ÿ”ง โš ๏ธ ๐Ÿ““
Patrick Kidger
Patrick Kidger

๐Ÿ› ๐Ÿ’ป ๐Ÿ“– ๐Ÿ”Œ ๐Ÿ’ก ๐Ÿšง ๐Ÿ“ฃ ๐Ÿ‘€ ๐Ÿ”ฌ ๐Ÿ”ง โš ๏ธ ๐Ÿ““
Okon Samuel
Okon Samuel

๐Ÿ› ๐Ÿ’ป ๐Ÿ“– ๐Ÿšง ๐Ÿ’ก ๐Ÿš‡ ๐Ÿ‘€ โš ๏ธ ๐Ÿ““
William Booth-Clibborn
William Booth-Clibborn

๐Ÿ’ป ๐ŸŒ ๐Ÿ“– ๐Ÿ““ ๐Ÿšง ๐Ÿ‘€ ๐Ÿ”ง โš ๏ธ
Pablo Lemos
Pablo Lemos

๐Ÿ› ๐Ÿ’ก ๐Ÿ“ฃ ๐Ÿ‘€ ๐Ÿ”ฌ ๐Ÿ““
Jerry Ling
Jerry Ling

๐Ÿ› ๐Ÿ’ป ๐Ÿ“– ๐ŸŒ ๐Ÿ’ก ๐Ÿ“ฃ ๐Ÿ‘€ ๐Ÿ““
Charles Fox
Charles Fox

๐Ÿ› ๐Ÿ’ป ๐Ÿ’ก ๐Ÿšง ๐Ÿ“ฃ ๐Ÿ‘€ ๐Ÿ”ฌ ๐Ÿ““
Johann Brehmer
Johann Brehmer

๐Ÿ’ป ๐Ÿ“– ๐Ÿ’ก ๐Ÿ“ฃ ๐Ÿ‘€ ๐Ÿ”ฌ โš ๏ธ ๐Ÿ““
Marius Millea
Marius Millea

๐Ÿ’ป ๐Ÿ’ก ๐Ÿ“ฃ ๐Ÿ‘€ ๐Ÿ““
Coba
Coba

๐Ÿ› ๐Ÿ’ป ๐Ÿ’ก ๐Ÿ‘€ ๐Ÿ““
Pietro Monticone
Pietro Monticone

๐Ÿ› ๐Ÿ“– ๐Ÿ’ก
Mateusz Kubica
Mateusz Kubica

๐Ÿ“– ๐Ÿ’ก
Jay Wadekar
Jay Wadekar

๐Ÿ› ๐Ÿ’ก ๐Ÿ“ฃ ๐Ÿ”ฌ
Anthony Blaom, PhD
Anthony Blaom, PhD

๐Ÿš‡ ๐Ÿ’ก ๐Ÿ‘€
Jgmedina95
Jgmedina95

๐Ÿ› ๐Ÿ’ก ๐Ÿ‘€
Michael Abbott
Michael Abbott

๐Ÿ’ป ๐Ÿ’ก ๐Ÿ‘€ ๐Ÿ”ง
Oscar Smith
Oscar Smith

๐Ÿ’ป ๐Ÿ’ก
Eric Hanson
Eric Hanson

๐Ÿ’ก ๐Ÿ“ฃ ๐Ÿ““
Henrique Becker
Henrique Becker

๐Ÿ’ป ๐Ÿ’ก ๐Ÿ‘€
qwertyjl
qwertyjl

๐Ÿ› ๐Ÿ“– ๐Ÿ’ก ๐Ÿ““
Rik Huijzer
Rik Huijzer

๐Ÿ’ก ๐Ÿš‡
Hongyu Wang
Hongyu Wang

๐Ÿ’ก ๐Ÿ“ฃ ๐Ÿ”ฌ
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)|
PySR is built on an extremely optimized pure-Julia backend: [SymbolicRegression.jl](https://github.com/MilesCranmer/SymbolicRegression.jl). Symbolic regression is a very interpretable machine learning algorithm for low-dimensional problems: these tools search equation space to find algebraic relations that approximate a dataset. One can also extend these approaches to higher-dimensional spaces by using a neural network as proxy, 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 models. *Backstory:* Previously, we have used [eureqa](https://www.creativemachineslab.com/eureqa.html), which is a very efficient and user-friendly tool. However, eureqa is GUI-only, doesn't allow for user-defined operators, has no distributed capabilities, and has become proprietary (and recently been merged into an online service). Thus, the goal of this package is to have an open-source symbolic regression tool as efficient as eureqa, while also exposing a configurable python interface. ## Installation | [pip](#pip) | [conda](#conda) | [docker](#docker-build) | |:---:|:---:|:---:| | Everywhere (recommended) | Linux and Intel-based macOS | Everywhere (if all else fails) | --- ### pip 1. [Install Julia](https://julialang.org/downloads/) - Alternatively, my personal preference is to use [juliaup](https://github.com/JuliaLang/juliaup#installation), which performs this automatically. 2. Then, run: ```bash pip3 install -U pysr ``` 3. Finally, to install Julia dependencies: ```bash python3 -m pysr install ``` > (Alternatively, from within Python, you can call `import pysr; pysr.install()`) --- ### conda The PySR build in conda includes all required dependencies, so you can install it by simply running: ```bash conda install -c conda-forge pysr ``` from within your target conda environment. However, note that the conda install does not support precompilation of Julia libraries, so the start time may be slightly slower as the JIT-compilation will be running. (Once the compilation finishes, there will not be a performance difference though.) --- ### docker build 1. Clone this repo. 2. In the repo, run the build command with: ```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). --- ### Common issues Common issues tend to be related to Python not finding Julia. To debug this, try running `python3 -c 'import os; print(os.environ["PATH"])'`. If none of these folders contain your Julia binary, then you need to add Julia's `bin` folder to your `PATH` environment variable. **Running PySR on macOS with an M1 processor:** you should use the pip version, and make sure to get the Julia binary for ARM/M-series processors. ## Introduction 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., `denoising=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.