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Eigenvector Continuation as an Efficient and Accurate Emulator for Uncertainty Quantification
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Eigenvector Continuation as an Efficient and Accurate Emulator for Uncertainty Quantification
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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.
Forward citations
Cited by 2 Pith papers
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Quantum Monte Carlo calculation of $\delta_C$ in the superallowed beta decay of $^{10}$C
Ab initio QMC calculations yield δ_C ≈ 0.15–0.25% for ¹⁰C superallowed beta decay, consistent across phenomenological and chiral interactions within 34–65% relative uncertainties.
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Perturbative calculations of light nuclei up to N$^3$LO in chiral effective field theory
Perturbative N3LO calculations in chiral EFT with RG-guided power counting yield robust predictions for light nuclei energies when calibrated on the tritium binding energy.
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