arXiv:2506.14270astro-ph.GAcs.LG2025-06中稿 · publication in Mac…被引 3

用神经微分方程替代天体化学模拟,大幅提速且保持精度。

NeuralPDR: Neural Differential Equations as surrogate models for Photodissociation Regions

  • 用潜在增强神经常微分方程构建化学模拟代理模型。
  • 在3D-PDR数据集上复现原始柱密度图,速度提升数十倍。
  • 适合需要快速化学推理的高分辨率天体模拟研究者。

计算天体化学模型对于理解不同天体物理环境的观测至关重要。随着韦伯望远镜(JWST)和阿塔卡马大型毫米波阵列(ALMA)等高分辨率望远镜的使用,许多天体的亚结构可被解析,这要求在更小尺度上进行天体化学建模,即模拟需同时包含物理与化学过程。然而,三维流体动力学与化学耦合模拟的计算成本极高,为代理模型提供了机会。本文提出一种可替代原化学求解器的代理模型——潜在增强神经常微分方程。我们在三个物理复杂度递增的数据集上训练该模型,最后一个数据集直接来自使用光致离解区(PDR)代码生成的分子云三维模拟(3D-PDR)。结果表明,该代理模型能实现显著加速,并准确复现原始可观测柱密度图。该方法使化学推断可在GPU上快速完成,支持对观测的快速统计推断或提高天体物理环境流体动力学模拟的分辨率。

原文摘要 · Abstract (English)

Computational astrochemical models are essential for helping us interpret and understand the observations of different astrophysical environments. In the age of high-resolution telescopes such as JWST and ALMA, the substructure of many objects can be resolved, raising the need for astrochemical modeling at these smaller scales, meaning that the simulations of these objects need to include both the physics and chemistry to accurately model the observations. The computational cost of the simulations coupling both the three-dimensional hydrodynamics and chemistry is enormous, creating an opportunity for surrogate models that can effectively substitute the chemical solver. In this work we present surrogate models that can replace the original chemical code, namely Latent Augmented Neural Ordinary Differential Equations. We train these surrogate architectures on three datasets of increasing physical complexity, with the last dataset derived directly from a three-dimensional simulation of a molecular cloud using a Photodissociation Region (PDR) code, 3D-PDR. We show that these surrogate models can provide speedup and reproduce the original observable column density maps of the dataset. This enables the rapid inference of the chemistry (on the GPU), allowing for the faster statistical inference of observations or increasing the resolution in hydrodynamical simulations of astrophysical environments.

天体化学神经微分方程代理模型3D-PDR

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