shamsbasir/investigating_mitigating_failure_modes_in_pinns

This repository contains the code and models for our paper "Investigating and Mitigating Failure Modes in Physics-informed Neural Networks(PINNs)"

Investigating and Mitigating Failure Modes in Physics-informed Neural Networks(PINNs)

This paper explores the difficulties in solving partial differential equations (PDEs) using physics-informed neural networks (PINNs). PINNs use physics as a regularization term in the objective function. However, a drawback of this approach is the requirement for manual hyperparameter tuning, making it impractical in the absence of validation data or prior knowledge of the solution. Our investigations of the loss landscapes and backpropagated gradients in the presence of physics reveal that existing methods produce non-convex loss landscapes that are hard to navigate. Our findings demonstrate that high-order PDEs contaminate backpropagated gradients and hinder convergence. To address these challenges, we introduce a novel method that bypasses the calculation of high-order derivative operators and mitigates the contamination of backpropagated gradients. Consequently, we reduce the dimension of the search space and make learning PDEs with non-smooth solutions feasible. Our method also provides a mechanism to focus on complex regions of the domain. Besides, we present a dual unconstrained formulation based on Lagrange multiplier method to enforce equality constraints on the model's prediction, with adaptive and independent learning rates inspired by adaptive subgradient methods. We apply our approach to solve various linear and non-linear PDEs.

Citation

Please cite us if you find our work useful for your research:

1) Investigating and Mitigating Failure Modes in Physics-informed Neural Networks (PINNs)

@Article{CiCP-33-1240,
author = {Basir , Shamsulhaq},
title = {Investigating and Mitigating Failure Modes in Physics-Informed Neural Networks (PINNs)},
journal = {Communications in Computational Physics},
year = {2023},
volume = {33},
number = {5},
pages = {1240--1269},
issn = {1991-7120},
doi = {https://doi.org/10.4208/cicp.OA-2022-0239},
url = {http://global-sci.org/intro/article_detail/cicp/21761.html}
}

2) Physics and Equality Constrained Artificial Neural Networks: Application to Forward and Inverse Problems with Multi-fidelity Data Fusion

@article{PECANN_2022,
title = {Physics and Equality Constrained Artificial Neural Networks: Application to Forward and Inverse Problems with Multi-fidelity Data Fusion},
journal = {J. Comput. Phys.},
pages = {111301},
year = {2022},
issn = {0021-9991},
doi = {https://doi.org/10.1016/j.jcp.2022.111301},
url = {https://www.sciencedirect.com/science/article/pii/S0021999122003631},
author = {Shamsulhaq Basir and Inanc Senocak}
}

3) Critical Investigation of Failure Modes in Physics-informed Neural Networks

@inbook{doi:10.2514/6.2022-2353,
author = {Shamsulhaq Basir and Inanc Senocak},
title = {Critical Investigation of Failure Modes in Physics-informed Neural Networks},
booktitle = {AIAA SCITECH 2022 Forum},
chapter = {},
pages = {},
doi = {10.2514/6.2022-2353},
URL = {https://arc.aiaa.org/doi/abs/10.2514/6.2022-2353},
eprint = {https://arc.aiaa.org/doi/pdf/10.2514/6.2022-2353},
}

The codes are in Jupyter notebook and self-containing. You can run them on google colab or on your own machine if you have Pytorch installed. I would like to mention that inputs to the models are normalized as follows:

For example, you have a square domain with bottom left corner (-1,-1) and top right corner = (1,1) :

x_max = 1
x_min = -1
x_ = torch.rand(100000) * (x_max - x_min) + x_min
x_mean = x_.mean()
x_std  = x_.std()
----
domain   = np.array([[-1,-1.0],[1.,1.]])
kwargs   = {"mean":torch.tensor([[0.0, 0.0]]), "stdev":torch.tensor([[0.5773, 0.5773]])}  

Funding Acknowledgment

This material is based upon work supported by the National Science Foundation under Grant No. 1953204 and in part in part by the University of Pittsburgh Center for Research Computing through the resources provided.

Questions and feedback?

For questions or feedback feel free to reach us at Shams Basir or Linkedin