jaxspec:用于 X 射线光谱拟合的快速、稳健的 Python 库

Simon Dupourqué, Didier Barret, Camille M. Diez, Sébastien Guillot, Erwan Quintin
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摘要

背景从 X 射线数据中推断光谱参数是高能天体物理学的基石之一,它是利用过去二十多年来开发的软件堆栈实现的。然而,随着模型越来越复杂,光谱分辨率越来越高,这些成熟的软件解决方案变得功能繁多、难以维护且效率低下。我们的目标我们介绍了 jaxspec,这是一个 Python 软件包,用于在完全贝叶斯框架内快速、稳健地完成这项任务。基于 JAX 生态系统,jaxspec 允许生成可在核心或图形处理单元(CPU 和 GPU)上编译的可微分似然函数,从而能够使用贝叶斯推断的稳健算法。方法。我们使用一个复合模型演示了 jaxspec 采样器的有效性,特别是 No U-Turn 采样器,并将我们获得的结果与现有框架进行了比较。我们还展示了它处理高分辨率光谱数据和使用原创方法的能力,重现了英仙座星团上 Hitomi 合作的结果,同时在 GPU 上使用变分推理解决了推理问题。结果。与其他软件和方法相比,我们获得了相同的结果,这意味着jaxspec在提供可靠结果的同时,速度比现有替代方法快10倍。此外,我们还证明了变分推理即使在高分辨率数据上也能产生令人信服的结果,而且在 GPU 上的时间还不到 10 分钟。结论。通过这个软件包,我们的目标是向现有的机器学习和贝叶斯推理生态系统开放 X 射线光谱学,使研究人员能够应用新方法以最佳方式解决日益复杂的问题。我们的长远目标是对新的雅典娜 X 射线积分场装置(X-IFU)的数据进行科学利用。
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jaxspec : a fast and robust Python library for X-ray spectral fitting
Context. Inferring spectral parameters from X-ray data is one of the cornerstones of high-energy astrophysics, and is achieved using software stacks that have been developed over the last twenty years and more. However, as models get more complex and spectra reach higher resolutions, these established software solutions become more feature-heavy, difficult to maintain and less efficient. Aims. We present jaxspec, a Python package for performing this task quickly and robustly in a fully Bayesian framework. Based on the JAX ecosystem, jaxspec allows the generation of differentiable likelihood functions compilable on core or graphical process units (resp. CPU and GPU), enabling the use of robust algorithms for Bayesian inference. Methods. We demonstrate the effectiveness of jaxspec samplers, in particular the No U-Turn Sampler, using a composite model and comparing what we obtain with the existing frameworks. We also demonstrate its ability to process high-resolution spectroscopy data and using original methods, by reproducing the results of the Hitomi collaboration on the Perseus cluster, while solving the inference problem using variational inference on a GPU. Results. We obtain identical results when compared to other softwares and approaches, meaning that jaxspec provides reliable results while being $\sim 10$ times faster than existing alternatives. In addition, we show that variational inference can produce convincing results even on high-resolution data in less than 10 minutes on a GPU. Conclusions. With this package, we aim to pursue the goal of opening up X-ray spectroscopy to the existing ecosystem of machine learning and Bayesian inference, enabling researchers to apply new methods to solve increasingly complex problems in the best possible way. Our long-term ambition is the scientific exploitation of the data from the newAthena X-ray Integral Field Unit (X-IFU).
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