pfns 0.3.0

PFNs made ready for BO

PFNs

Prior-data Fitted Networks (PFNs, https://arxiv.org/abs/2112.10510) are transformer encoders trained to perform supervised in-context learning on datasets randomly drawn from a prior. Our priors can in general be described by a function that samples a datasets, or more generally a batch of datasets. The PFN is then trained to predict a hold-out set of labels, given the rest of the dataset.

The pseudo code for a simple prior that would yield a PFN that does 1d ridge regression on datasets with 100 elements, could be something like this:

def get_dataset_sample():
    x = RandomUniform(100,1)
    a = RandomNormal()
    b = RandomNormal()
    y = a * x + b
    return x, y

Check out our tutorial to train your own ridge regression PFN.

Install with pip

This way of installing allows you to use the package everywhere and still be able to edit files. You should use a python version >=3.10 and <=3.11.

git clone https://github.com/automl/PFNs.git
cd PFNs
pip install -e .

Get Started

Check out our Getting Started Colab.

Tabular Data

For loading the pretrained TabPFN transformer model for classification and use it for evaluation, you can download the model like this

import torch
from pfns.scripts.tabpfn_interface import TabPFNClassifier
# Load pretrained-model
classifier = TabPFNClassifier(base_path='.', model_string="prior_diff_real_checkpoint_n_0_epoch_42.cpkt")

train_xs = torch.rand(100,2)
test_xs = torch.rand(100,2)
train_ys = train_xs.mean(1) > .5
# Fit and evaluate
task_type = 'multiclass'
classifier.fit(train_xs, train_ys)
if task_type == 'multiclass':
    prediction_ = classifier.predict_proba(test_xs) # For survival [:, 1:]
else:
    prediction_ = classifier.predict(test_xs)

BO

There is a BO version of this repo, with pretrained models at github.com/automl/PFNs4BO. The two repos share a lot of the code, but the other is not anymore actively maintained. You can also train your own models with our tutorial notebook here.

To run all BayesOpt experiments, please install this package with the benchmarks option:

pip install -e .[benchmarks]

Bayes' Power for Explaining In-Context Learning Generalizations

This repository contains the code for the paper "Bayes' Power for Explaining In-Context Learning Generalizations".

Install in editable mode:

pip install -e .

We have a set of notebooks in this repository to reproduce the results of our paper.

• To reproduce the main ICL experiments, use the notebook discrete_bayes.ipynb.
• To run the Tiny-MLP generalization experiments, where we evaluate extrapolation, use the notebook Tiny_MLP_Generalization.ipynb.
• To run the Coin-Flipping experiments, where we show that the true posterior converges to the wrong probability, use the notebook Cointhrowing_converging_to_wrong_posterior.ipynb.
• To see the GP converging to the wrong solution for a step function, use the notebook GP_fitting_a_step.ipynb.

Cite the work

PFNs were introduced in

@inproceedings{
    muller2022transformers,
    title={Transformers Can Do Bayesian Inference},
    author={Samuel M{\"u}ller and Noah Hollmann and Sebastian Pineda Arango and Josif Grabocka and Frank Hutter},
    booktitle={International Conference on Learning Representations},
    year={2022},
    url={https://openreview.net/forum?id=KSugKcbNf9}
}

Training PFNs on tabular data (TabPFN) was enhanced in

@inproceedings{
  hollmann2023tabpfn,
  title={Tab{PFN}: A Transformer That Solves Small Tabular Classification Problems in a Second},
  author={Noah Hollmann and Samuel M{\"u}ller and Katharina Eggensperger and Frank Hutter},
  booktitle={The Eleventh International Conference on Learning Representations},
  year={2023},
  url={https://openreview.net/forum?id=cp5PvcI6w8_}
}

The BO version of PFNs was introduced in

@article{muller2023pfns,
  title={PFNs4BO: In-Context Learning for Bayesian Optimization},
  author={M{\"u}ller, Samuel and Feurer, Matthias and Hollmann, Noah and Hutter, Frank},
  journal={arXiv preprint arXiv:2305.17535},
  year={2023}
}

The "Bayes' Power for Explaining In-Context Learning Generalizations" is

@article{muller2024bayes,
  title={Bayes' Power for Explaining In-Context Learning Generalizations},
  author={M{\"u}ller, Samuel and Hollmann, Noah and Hutter, Frank},
  journal={arXiv preprint arXiv:2410.01565},
  year={2024}
}