# 3D-PDR Orion dataset and NeuralPDR: Neural Differential Equations for Photodissociation Regions

arXiv: https://arxiv.org/abs/2412.00758 · HTML: https://mlsanity.com/paper/2412.00758/

## Key facts

- Cited by 1 papers in the map (data through 14 Oct 2026).
- Builds on 9 of its 25 references that are in the map.
- First posted on arXiv 1 Dec 2024.

## Builds on (most cited first, 9 of 9)

- [Deep Residual Learning for Image Recognition](https://mlsanity.com/paper/1512.03385/) (2015)
- [SGDR: Stochastic Gradient Descent with Warm Restarts](https://mlsanity.com/paper/1608.03983/) (2016)
- [FFJORD: Free-form Continuous Dynamics for Scalable Reversible Generative Models](https://mlsanity.com/paper/1810.01367/) (2018)
- [Augmented Neural ODEs](https://mlsanity.com/paper/1904.01681/) (2019)
- [On Neural Differential Equations](https://mlsanity.com/paper/2202.02435/) (2022)
- [Parameterized Neural Ordinary Differential Equations: Applications to Computational Physics Problems](https://mlsanity.com/paper/2010.14685/) (2020)
- [Neural networks: solving the chemistry of the interstellar medium](https://mlsanity.com/paper/2211.15688/) (2022)
- [Speeding up astrochemical reaction networks with autoencoders and neural ODEs](https://mlsanity.com/paper/2312.06015/) (2023)
- [Emulating the interstellar medium chemistry with neural operators](https://mlsanity.com/paper/2402.12435/) (2024)

## Built on by (most cited first, 1 of 1)

- [NeuralPDR: Neural Differential Equations as surrogate models for Photodissociation Regions](https://mlsanity.com/paper/2506.14270/) (2025)

## Abstract (arXiv)

We present a novel dataset of simulations of the photodissociation region (PDR) in the Orion Bar and provide benchmarks of emulators for the dataset. Numerical models of PDRs are computationally expensive since the modeling of these changing regions requires resolving the thermal balance and chemical composition along a line-of-sight into an interstellar cloud. This often makes it a bottleneck for 3D simulations of these regions. In this work, we provide a dataset of 8192 models with different initial conditions simulated with 3D-PDR. We then benchmark different architectures, focusing on Augmented Neural Ordinary Differential Equation (ANODE) based models (Code be found at https://github.com/uclchem/neuralpdr). Obtaining fast and robust emulators that can be included as preconditioners of classical codes or full emulators into 3D simulations of PDRs.