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arXiv:2302.08373 · Physical Review C

Eigenvector continuation for the pairing Hamiltonian

M. Companys Franzke, A. Tichai, K. Hebeler, A. Schwenk

Published Feb 13, 2024• 10 citations
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Abstract

The development of emulators for the evaluation of many-body observables has gained increasing attention over the last years. In particular the framework of eigenvector continuation (EC) has been identified as a powerful tool when the Hamiltonian admits for a parametric dependence. By training the emulator on a set of training data the many-body solution for arbitrary parameter values can be robustly predicted in many cases. Furthermore, it can be used to resum perturbative expansions that otherwise diverge. In this work, we apply EC to the pairing Hamiltonian and show that EC-resummed perturbation theory is in qualitative agreement with the exact solution and that EC-based emulators robustly predict the ground-state energy once the training data are chosen appropriately. In particular the phase transition from the normal to the superfluid regime is quantitatively predicted using a very low number of training points. Published by the American Physical Society 2024

DOI
10.1103/physrevc.109.024311

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The development of emulators for the evaluation of many-body observables has gained increasing attention over the last years. In particular the framework of eigenvector continuation (EC) has been identified as a powerful tool when the Hamiltonian admits for a parametric dependence. By training the emulator on a set of training data the many-body solution for arbitrary parameter values can be robustly predicted in many cases. Furthermore, it can be used to resum perturbative expansions that otherwise diverge. In this work, we apply EC to the pairing Hamiltonian and show that EC-resummed perturbation theory is in qualitative agreement with the exact solution and that EC-based emulators robustly predict the ground-state energy once the training data are chosen appropriately. In particular the phase transition from the normal to the superfluid regime is quantitatively predicted using a very low number of training points. Published by the American Physical Society 2024
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.
Eigenvector continuation (EC) has recently attracted a lot attention in nuclear structure and reactions as a variational resummation tool for many-body expansions. While previous applications focused on ground-state energies, excited states can be accessed on equal footing. This work is dedicated to a detailed understanding of the emergence of excited states from the eigenvector continuation approach. For numerical applications the one-dimensional quartic anharmonic oscillator is investigated, which represents a strongly non-perturbative quantum system where the use of standard perturbation techniques break down. We discuss how different choices for the construction of the EC manifold affect the quality of the EC resummation and investigate in detail the results from EC for excited states compared to results from a full diagonalization as a function of the basis-space size.
An atomic nucleus is a quantum system of interacting nucleons and constitutes a problem difficult to solve exactly. For this reason, a diversity of approximate resolution methods has been designed, and Projected Generator Coordinate Method (PGCM) is one of them. The strong point of PGCM is to construct a physically inspired small dimensional space, in which an approximate solution of the nuclear many-body problem is easily found. However the numerical cost of PGCM space computation make this method inadapted for sensibility analysis of nuclear observables with restect to parametrisation of the interaction model, this analysis requiring an huge number of PGCM computations. In order to make this type of study possible, this thesis explore the concept of PGCM emulator. In this work, a combination of PGCM with Eigenvector Continuation (EC) is constructed and studied. This combination (the PGCM-EC emulator) takes advantage of mathematical similarities between PGCM and EC, and above all of the decomposition of the hamiltonian as a linear combination of parameter-independent terms. The latter property is used to concentrate the heavier numerical cost in the computation of parameter-independent quantities (the elementary kernels), and open the feasability of massive PGCM emulations, the price being having first-handedly computed the costly elementary kernels. Limits of the emulator are also explored, by introducing the concept of over-training, which is exactly a consequence of the aproximativeness of a PGCM computation. Eventually this thesis demonstrates the possibility to emulate millions of PGCM computations with an error on collective spectroscopy less than 3%, and with a low numerical cost fraction of 1% of the million PGCM calculations cost.
We develop a class of emulators for solving quantum three-body scattering problems. They are based on combining the variational method for scattering observables and the recently proposed eigenvector continuation concept. The emulators are first trained by the exact scattering solutions of the governing Hamiltonian at a small number of points in its parameter space, and then employed to make interpolations and extrapolations in that space. Through a schematic nuclear-physics model with finite-range two and three-body interactions, we demonstrate the emulators to be extremely accurate and efficient. The computing time for emulation is on the scale of milliseconds (on a laptop), with relative errors ranging from ${10}^{\ensuremath{-}13}$ to ${10}^{\ensuremath{-}4}$ depending on the case. The emulators also require little memory. We argue that these emulators can be generalized to even more challenging scattering problems. Furthermore, this general strategy may be applicable for building the same type of emulators in other fields, wherever variational methods can be developed for evaluating physical models.
Emulating the Green's function using reduced-order equations is challenging because of the amount of information it contains. This information includes the one-particle spectroscopy over the entire energy spectrum, the one-body density matrix, and the ground-state energy. Nevertheless, the computational speedup offered by emulators is essential for applications requiring repeated model evaluations, which are ubiquitous in many-body physics. These include parameter calibration, uncertainty quantification, phase-diagram mapping, and geometry optimization. In this Letter, we introduce a systematically improvable emulator based on eigenvector continuation and moment-matching. The resulting approximation, which we refer to as an ``eigenvector-continued Green's function,'' can be obtained by solving linear equations, enabling an efficient separation of the computational workload into offline and online stages.