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arXiv 1909.08446nucl-th
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本征向量延拓作为不确定性量化的高效精确仿真器

Eigenvector Continuation as an Efficient and Accurate Emulator for Uncertainty Quantification

S. König, A. Ekström, K. Hebeler, D. Lee, A. Schwenk

摘要:

基于手征有效场论的微观核力的原子核第一性原理计算在过去的几年里得到了蓬勃发展。这种从头算研究的一个关键因素是理解和量化的系统和统计误差所产生的省略高阶项的手性扩展以及模型校准。虽然在分析核子-核子散射观测量的理论不确定性方面取得了重大进展,但由于大量低能耦合的观测量计算成本高,因此推广到多核子系统还不可行。在这封信中,我们表明,一种新的方法,称为本征向量延拓(EC),可以用于构建一个有效的和准确的模拟核多体观测,从而使不确定性量化在多核子系统。我们展示了EC仿真的力量与原理证明计算,列出了大量的基态观测量在几个核子部门之间的所有相关性。在4 He基态能量和半径的从头计算的基础上,我们证明EC是更准确和有效的相比,建立的方法,如高斯过程。

英文摘要:

First principles calculations of atomic nuclei based on microscopic nuclear forces derived from chiral effective field theory (EFT) have blossomed in the past years. A key element of such ab initio studies is the understanding and quantification of systematic and statistical errors arising from the omission of higher-order terms in the chiral expansion as well as the model calibration. While there has been significant progress in analyzing theoretical uncertainties for nucleon-nucleon scattering observables, the generalization to multi-nucleon systems has not been feasible yet due to the high computational cost of evaluating observables for a large set of low-energy couplings. In this Letter we show that a new method called eigenvector continuation (EC) can be used for constructing an efficient and accurate emulator for nuclear many-body observables, thereby enabling uncertainty quantification in multi-nucleon systems. We demonstrate the power of EC emulation with a proof-of-principle calculation that lays out all correlations between bulk ground-state observables in the few-nucleon sector. On the basis of ab initio calculations for the ground-state energy and radius in 4He, we demonstrate that EC is more accurate and efficient compared to established methods like Gaussian processes.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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