🏗️Work In Progress🏗️

⚡ANSR:
Flash Amortized Neural Symbolic Regression

Introduction

Requirements

Hardware

• 32 GB Memory
• CUDA-enabled GPU
• 12 GB VRAM
• 64 GB Storage (subject to change)

Software

• Python $\geq$ 3.11
• pip $\geq$ 21.3 with PEP 660 (see https://pip.pypa.io/en/stable/news/#v21-3)
• (Ubuntu 22.04.3 LTS)

Getting Started

1. Clone the repository

git clone https://github.com/psaegert/flash-ansr
cd flash-ansr

2. Install the package

Optional: Create a virtual environment:

conda:

conda create -n ansr python=3.11 ipykernel ipywidgets
conda activate ansr

Then, install the package via

pip install -e .
pip install -e nsrops

Usage

Use a pre-trained model

Clone the Hugging Face model repository:

git clone https://huggingface.co/psaegert/ansr-models models/ansr-models

import flash_ansr

Training

Express

Use, copy or modify a config in ./configs:

./configs
├── my_config
│   ├── dataset_train.yaml          # Link to skeleton pool and padding for training
│   ├── dataset_val.yaml            # Link to skeleton pool and padding for validation
│   ├── evaluation.yaml             # Evaluation settings
│   ├── expression_space.yaml       # Operators and variables
│   ├── nsr.yaml                    # Model settings and link to expression space
│   ├── skeleton_pool_train.yaml    # Sampling and holdout settings for training
│   ├── skeleton_pool_val.yaml      # Sampling and holdout settings for validation
│   └── train.yaml                  # Data and schedule for training

Run the training and evaluation pipeline with

./scripts/run.sh my_config

For more information see below.

Manual

0. Prerequisites

Test data structured as follows:

./data/ansr-data/test_set
├── feynman
│   └── FeynmanEquations.csv
├── nguyen
│   └── nguyen.csv
└── soose_nc
    └── nc.csv

The test data can be cloned from the Hugging Face data repository:

git clone https://huggingface.co/psaegert/ansr-data data/ansr-data

1. Import test data

External datasets must be imported into the ANSR format:

flash_ansr import-data -i "{{ROOT}}/data/ansr-data/test_set/soose_nc/nc.csv" -p "soose" -e "{{ROOT}}/configs/test_set_base/expression_space.yaml" -b "{{ROOT}}/configs/test_set_base/skeleton_pool.yaml" -o "{{ROOT}}/data/ansr-data/test_set/soose_nc/skeleton_pool" -v
flash_ansr import-data -i "{{ROOT}}/data/ansr-data/test_set/feynman/FeynmanEquations.csv" -p "feynman" -e "{{ROOT}}/configs/test_set_base/expression_space.yaml" -b "{{ROOT}}/configs/test_set_base/skeleton_pool.yaml" -o "{{ROOT}}/data/ansr-data/test_set/feynman/skeleton_pool" -v
flash_ansr import-data -i "{{ROOT}}/data/ansr-data/test_set/nguyen/nguyen.csv" -p "nguyen" -e "{{ROOT}}/configs/test_set_base/expression_space.yaml" -b "{{ROOT}}/configs/test_set_base/skeleton_pool.yaml" -o "{{ROOT}}/data/ansr-data/test_set/nguyen/skeleton_pool" -v

with

• -i the input file

• -p the name of the parser implemented in ./src/flash_ansr/compat/convert_data.py

• -e the expression space

• -b the config of a base skeleton pool to add the data to

• -o the output directory for the resulting skeleton pool

• -v verbose output

This will create and save a skeleton pool with the parsed imported skeletons in the specified directory:

./data/ansr-data/test_set/<test_set>
└── skeleton_pool
    ├── expression_space.yaml
    ├── skeleton_pool.yaml
    └── skeletons.pkl

2. Generate validation data

Validation data is generated by randomly sampling according to the settings in the skeleton pool config:

flash_ansr generate-skeleton-pool -c {{ROOT}}/configs/${CONFIG}/skeleton_pool_val.yaml -o {{ROOT}}/data/ansr-data/${CONFIG}/skeleton_pool_val -s 5000 -v

with

• -c the skeleton pool config
• -o the output directory to save the skeleton pool
• -s the number of unique skeletons to sample
• -v verbose output

3. Train the model

flash_ansr train -c {{ROOT}}/configs/${CONFIG}/train.yaml -o {{ROOT}}/models/ansr-models/${CONFIG} -v -ci 100000 -vi 10000

with

• -c the training config
• -o the output directory to save the model and checkpoints
• -v verbose output
• -ci the interval to save checkpoints
• -vi the interval for validation

4. Evaluate the model

flash_ansr evaluate -c {{ROOT}}/configs/${CONFIG}/evaluation.yaml -m "{{ROOT}}/models/ansr-models/${MODEL}" -d "{{ROOT}}/data/ansr-data/test_set/soose_nc/dataset.yaml" -n 5000 -o {{ROOT}}/results/evaluation/${CONFIG}/soose_nc.pickle -v
flash_ansr evaluate -c {{ROOT}}/configs/${CONFIG}/evaluation.yaml -m "{{ROOT}}/models/ansr-models/${MODEL}" -d "{{ROOT}}/data/ansr-data/test_set/feynman/dataset.yaml" -n 5000 -o {{ROOT}}/results/evaluation/${CONFIG}/feynman.pickle -v
flash_ansr evaluate -c {{ROOT}}/configs/${CONFIG}/evaluation.yaml -m "{{ROOT}}/models/ansr-models/${MODEL}" -d "{{ROOT}}/data/ansr-data/test_set/nguyen/dataset.yaml" -n 5000 -o {{ROOT}}/results/evaluation/${CONFIG}/nguyen.pickle -v
flash_ansr evaluate -c {{ROOT}}/configs/${CONFIG}/evaluation.yaml -m "{{ROOT}}/models/ansr-models/${MODEL}" -d "{{ROOT}}/configs/${CONFIG}/dataset_val.yaml" -n 5000 -o {{ROOT}}/results/evaluation/${CONFIG}/val.pickle -v
flash_ansr evaluate -c {{ROOT}}/configs/${CONFIG}/evaluation.yaml -m "{{ROOT}}/models/ansr-models/${MODEL}" -d "{{ROOT}}/data/ansr-data/test_set/pool_15/dataset.yaml" -n 5000 -o {{ROOT}}/results/evaluation/${CONFIG}/pool_15.pickle -v
flash_ansr evaluate -c {{ROOT}}/configs/${CONFIG}/evaluation.yaml -m "{{ROOT}}/models/ansr-models/${MODEL}" -d "{{ROOT}}/configs/${CONFIG}/dataset_train.yaml" -n 5000 -o {{ROOT}}/results/evaluation/${CONFIG}/train.pickle -v

with

• -c the evaluation config
• -m the model to evaluate
• -d the dataset to evaluate on
• -n the number of samples to evaluate
• -o the output file for results
• -v verbose output

4.1 Evaluate NeSymRes

1. Clone NeuralSymbolicRegressionThatScales to a directory of your choice.
2. Download the 100M model as described here
3. Move the 100M model into flash-ansr/models/nesymres/
4. Create a Python 3.10 (!) environment and install flash-ansr as in the previous steps.
5. Install NeSymRes in the same environment:

cd NeuralSymbolicRegressionThatScales
pip install -e src/
pip install lightning

1. Navigate back to this repository and run the evaluation

cd flash-ansr
./scripts/evaluate_nesymres <test_set>

4.2 Evaluate PySR

1. Install PySR in the same environment as flash-ansr.
2. Run the evaluation

./scripts/evaluate_pysr <test_set>

Development

Setup

To set up the development environment, run the following commands:

pip install -e .[dev]
pip install -e ./nsrops
pre-commit install

Tests

Test the package with

./scripts/pytest.sh

for convenience.

Citation

@software{flash-ansr2024,
    author = {Paul Saegert},
    title = {Flash Amortized Neural Symbolic Regression},
    year = 2024,
    publisher = {GitHub},
    version = {0.1.0},
    url = {https://github.com/psaegert/flash-ansr}
}