利用机器学习预测线增宽的旋转依赖性

IF 1.4 4区 物理与天体物理 Q4 PHYSICS, ATOMIC, MOLECULAR & CHEMICAL
Elizabeth R. Guest, Jonathan Tennyson, Sergei N. Yurchenko
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引用次数: 0

摘要

正确的压力展宽对于大气中的辐射传递建模至关重要,然而,对于系外行星大气中的许多外来分子,却缺乏相关数据。在此,我们探索了现代机器学习方法,以大量生成 ExoMol 数据库中大量分子的压力展宽参数。为此,我们使用了最先进的机器学习模型来拟合来自 HITRAN 数据库的现有经验空气展宽数据。开发出了一种计算成本低廉的大规模生成压力展宽参数的方法,该方法对于未见过的活性分子具有相当高的准确度(69%)。这种方法被用来扩充以前不足的 ExoMol 线展宽数据,为所有 ExoMol 分子提供空气展宽数据,从而使 ExoMol 数据库对线展宽进行了全面和更准确的处理。建议改进大气数据库中存在的物种的空气展宽参数。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Predicting the rotational dependence of line broadening using machine learning

Predicting the rotational dependence of line broadening using machine learning

Correct pressure broadening is essential for modelling radiative transfer in atmospheres, however data are lacking for the many exotic molecules expected in exoplanetary atmospheres. Here we explore modern machine learning methods to mass produce pressure broadening parameters for a large number of molecules in the ExoMol data base. To this end, state-of-the-art machine learning models are used to fit to existing, empirical air-broadening data from the HITRAN database. A computationally cheap method for large-scale production of pressure broadening parameters is developed, which is shown to be reasonably (69%) accurate for unseen active molecules. This method has been used to augment the previously insufficient ExoMol line broadening diet, providing air-broadening data for all ExoMol molecules, so that the ExoMol database has a full and more accurate treatment of line broadening. Suggestions are made for improved air-broadening parameters for species present in atmospheric databases.

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来源期刊
CiteScore
2.70
自引率
21.40%
发文量
94
审稿时长
29 days
期刊介绍: The Journal of Molecular Spectroscopy presents experimental and theoretical articles on all subjects relevant to molecular spectroscopy and its modern applications. An international medium for the publication of some of the most significant research in the field, the Journal of Molecular Spectroscopy is an invaluable resource for astrophysicists, chemists, physicists, engineers, and others involved in molecular spectroscopy research and practice.
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