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$\Phi$-SO : Physical Symbolic Optimization

The physical symbolic regression ( $\Phi$-SO ) package physo is a symbolic regression package that fully leverages physical units constraints. For more details see: [Tenachi et al 2023].

demo_light.mp4

Installation

Virtual environment

The package has been tested on:

  • Linux
  • OSX (ARM & Intel)

Running physo on Windows is not recommended.

To install the package it is recommended to first create a conda virtual environment:

conda create -n PhySO python=3.8

And activate it:

conda activate PhySO

Dependencies

From the repository root:

Installing essential dependencies :

conda install --file requirements.txt

Installing optional dependencies (for advanced debugging in tree representation) :

conda install --file requirements_display1.txt

pip install -r requirements_display2.txt
Side note regarding CUDA acceleration:

$\Phi$-SO supports CUDA but it should be noted that since the bottleneck of the code is free constant optimization, using CUDA (even on a very high-end GPU) does not improve performances over a CPU and can actually hinder performances.

Installing $\Phi$-SO

Installing physo (from the repository root):

pip install -e .

Testing install

Import test:
python3
>>> import physo

This should result in physo being successfully imported.

Unit tests:

From the repository root:

python -m unittest discover -p "*UnitTest.py"

This should result in all tests being successfully passed (except for program_display_UnitTest tests if optional dependencies were not installed).

Getting started

Symbolic regression with default hyperparameters

Symbolic regression (SR) consists in the inference of a free-form symbolic analytical function $f: \mathbb{R}^n \longrightarrow \mathbb{R}$ that fits $y = f(x_0,..., x_n)$ given $(x_0,..., x_n, y)$ data.

Given a dataset $(x_0,..., x_n, y)$:

z = np.random.uniform(-10, 10, 50)
v = np.random.uniform(-10, 10, 50)
X = np.stack((z, v), axis=0)
y = 1.234*9.807*z + 1.234*v**2

Where $X=(z,v)$, $z$ being a length of dimension $L^{1}, T^{0}, M^{0}$, v a velocity of dimension $L^{1}, T^{-1}, M^{0}$, $y=E$ if an energy of dimension $L^{2}, T^{-2}, M^{1}$.

Given the units input variables $(x_0,..., x_n)$ (here $(z, v)$ ), the root variable $y$ (here $E$) as well as free and fixed constants, you can run an SR task to recover $f$ via:

expression, logs = physo.SR(X, y,
                            X_units = [ [1, 0, 0] , [1, -1, 0] ],
                            y_units = [2, -2, 1],
                            fixed_consts       = [ 1.      ],
                            fixed_consts_units = [ [0,0,0] ],
                            free_consts_units  = [ [0, 0, 1] , [1, -2, 0] ],                          
)

(Allowing the use of a fixed constant $1$ of dimension $L^{0}, T^{0}, M^{0}$ (ie dimensionless) and free constants $m$ of dimension $L^{0}, T^{0}, M^{1}$ and $g$ of dimension $L^{1}, T^{-2}, M^{0}$.)

It should be noted that SR capabilities of physo are heavily dependent on hyperparameters, it is therefore recommended to tune hyperparameters to your own specific problem for doing science. Summary of available currently configurations:

Configuration Notes
config0 Light config for demo purposes.
config1 Tuned on a few physical cases.
config2 [work in progress] Good starting point for doing science.

By default, config0 is used, however it is recommended to use the latest configuration currently available (config1) as a starting point for doing science by specifying it:

expression, logs = physo.SR(X, y,
                            X_units = [ [1, 0, 0] , [1, -1, 0] ],
                            y_units = [2, -2, 1],
                            fixed_consts       = [ 1.      ],
                            fixed_consts_units = [ [0,0,0] ],
                            free_consts_units  = [ [0, 0, 1] , [1, -2, 0] ],      
                            run_config = physo.config.config1.config1                    
)

You can also specify the choosable symbolic operations for the construction of $f$ and give the names of variables for display purposes by filling in optional arguments:

expression, logs = physo.SR(X, y,
                            X_names = [ "z"       , "v"        ],
                            X_units = [ [1, 0, 0] , [1, -1, 0] ],
                            y_name  = "E",
                            y_units = [2, -2, 1],
                            fixed_consts       = [ 1.      ],
                            fixed_consts_units = [ [0,0,0] ],
                            free_consts_names = [ "m"       , "g"        ],
                            free_consts_units = [ [0, 0, 1] , [1, -2, 0] ],
                            op_names = ["mul", "add", "sub", "div", "inv", "n2", "sqrt", "neg", "exp", "log", "sin", "cos"]
)

physo.SR saves monitoring curves, the pareto front (complexity vs accuracy optimums) and the logs. It also returns the best fitting expression found during the search which can be inspected in regular infix notation (eg. in ascii or latex) via:

>>> print(expression.get_infix_pretty(do_simplify=True))
  ⎛       2⎞
m⋅⎝g⋅z + v ⎠
>>> print(expression.get_infix_latex(do_simplify=True))
'm \\left(g z + v^{2}\\right)'

Free constants can be inspected via:

>>> print(expression.free_const_values.cpu().detach().numpy())
array([9.80699996, 1.234     ])

physo.SR also returns the log of the run from which one can inspect Pareto front expressions:


for i, prog in enumerate(pareto_front_expressions):
    # Showing expression
    print(prog.get_infix_pretty(do_simplify=True))
    # Showing free constant
    free_consts = prog.free_const_values.detach().cpu().numpy()
    for j in range (len(free_consts)):
        print("%s = %f"%(prog.library.free_const_names[j], free_consts[j]))
    # Showing RMSE
    print("RMSE = {:e}".format(pareto_front_rmse[i]))
    print("-------------")

Returning:

   2
m⋅v 
g = 1.000000
m = 1.486251
RMSE = 6.510109e+01
-------------
g⋅m⋅z
g = 3.741130
m = 3.741130
RMSE = 5.696636e+01
-------------
  ⎛       2⎞
m⋅⎝g⋅z + v ⎠
g = 9.807000
m = 1.234000
RMSE = 1.675142e-07
-------------

This demo can be found in demo/demo_quick_sr.ipynb.

Symbolic regression

[Coming soon] In the meantime you can have a look at our demo folder ! :)

Custom symbolic optimization task

[Coming soon]

Using custom functions

[Coming soon]

About performances

The main performance bottleneck of physo is free constant optimization, therefore, performances are almost linearly dependent on the number of free constant optimization steps and on the number of trial expressions per epoch (ie. the batch size).

In addition, it should be noted that generating monitoring plots takes ~3s, therefore we suggest making monitoring plots every >10 epochs for low time / epoch cases.

Summary of expected performances with physo:

Time / epoch Batch size # free const free const
opti steps		 Example Device
~20s 10k 2 15 eg: demo_damped_harmonic_oscillator CPU: Mac M1
RAM: 16 Go
~30s 10k 2 15 eg: demo_damped_harmonic_oscillator CPU: Intel W-2155 10c/20t
RAM: 128 Go
~250s 10k 2 15 eg: demo_damped_harmonic_oscillator GPU: Nvidia GV100
VRAM : 32 Go
~3s 1k 2 15 eg: demo_mechanical_energy CPU: Mac M1
RAM: 16 Go
~3s 1k 2 15 eg: demo_mechanical_energy CPU: Intel W-2155 10c/20t
RAM: 128 Go
~4s 1k 2 15 eg: demo_mechanical_energy GPU: Nvidia GV100
VRAM : 32 Go

Please note that using a CPU typically results in higher performances than when using a GPU.

Uninstalling

Uninstalling the package.

conda deactivate
conda env remove -n PhySO

Citing this work

@ARTICLE{2023arXiv230303192T,
       author = {{Tenachi}, Wassim and {Ibata}, Rodrigo and {Diakogiannis}, Foivos I.},
        title = "{Deep symbolic regression for physics guided by units constraints: toward the automated discovery of physical laws}",
      journal = {arXiv e-prints},
     keywords = {Astrophysics - Instrumentation and Methods for Astrophysics, Computer Science - Machine Learning, Physics - Computational Physics},
         year = 2023,
        month = mar,
          eid = {arXiv:2303.03192},
        pages = {arXiv:2303.03192},
          doi = {10.48550/arXiv.2303.03192},
archivePrefix = {arXiv},
       eprint = {2303.03192},
 primaryClass = {astro-ph.IM},
       adsurl = {https://ui.adsabs.harvard.edu/abs/2023arXiv230303192T},
      adsnote = {Provided by the SAO/NASA Astrophysics Data System}
}