English

Eigenvector Continuation as an Efficient and Accurate Emulator for Uncertainty Quantification

Nuclear Theory 2020-10-19 v2

Abstract

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.

Keywords

Cite

@article{arxiv.1909.08446,
  title  = {Eigenvector Continuation as an Efficient and Accurate Emulator for Uncertainty Quantification},
  author = {S. König and A. Ekström and K. Hebeler and D. Lee and A. Schwenk},
  journal= {arXiv preprint arXiv:1909.08446},
  year   = {2020}
}

Comments

8 pages, 6 figures, Python code and input files provided as ancillary material, published version

R2 v1 2026-06-23T11:19:12.380Z