Nested sampling for physical scientists

G Ashton, N Bernstein, J Buchner, X Chen… - Nature Reviews …, 2022 - nature.com
Abstract This Primer examines Skilling's nested sampling algorithm for Bayesian inference
and, more broadly, multidimensional integration. The principles of nested sampling are …

Structural properties of sub-nanometer metallic clusters

F Baletto - Journal of Physics: Condensed Matter, 2019 - iopscience.iop.org
At the nanoscale, the investigation of structural features becomes fundamental as we can
establish relationships between cluster geometries and their physicochemical properties …

Energy landscapes for proteins: From single funnels to multifunctional systems

K Röder, JA Joseph, BE Husic… - Advanced Theory and …, 2019 - Wiley Online Library
This report advances the hypothesis that multifunctional systems may be associated with
multifunnel potential and free energy landscapes, with particular focus on biomolecules. It …

Nested sampling for materials

LB Pártay, G Csányi, N Bernstein - The European Physical Journal B, 2021 - Springer
We review the materials science applications of the nested sampling (NS) method, which
was originally conceived for calculating the evidence in Bayesian inference. We describe …

Deep learning and genetic algorithms for cosmological Bayesian inference speed-up

I Gómez-Vargas, JA Vázquez - Physical Review D, 2024 - APS
In this paper, we present a novel approach to accelerate the Bayesian inference process,
focusing specifically on the nested sampling algorithms. Bayesian inference plays a crucial …

Determining pressure-temperature phase diagrams of materials

RJN Baldock, LB Pártay, AP Bartók, MC Payne… - Physical Review B, 2016 - APS
We extend the nested sampling algorithm to simulate materials under periodic boundary
and constant pressure conditions, and show how it can be used to determine the complete …

Understanding population annealing Monte Carlo simulations

M Weigel, L Barash, L Shchur, W Janke - Physical Review E, 2021 - APS
Population annealing is a recent addition to the arsenal of the practitioner in computer
simulations in statistical physics and it proves to deal well with systems with complex free …

Superposition enhanced nested sampling

S Martiniani, JD Stevenson, DJ Wales, D Frenkel - Physical Review X, 2014 - APS
The theoretical analysis of many problems in physics, astronomy, and applied mathematics
requires an efficient numerical exploration of multimodal parameter spaces that exhibit …

Bayesian inference of the spatial distributions of material properties

A Vigliotti, G Csányi, VS Deshpande - Journal of the Mechanics and Physics …, 2018 - Elsevier
The inverse problem of estimating the spatial distributions of elastic material properties from
noisy strain measurements is ill-posed. However, it is still typically treated as an optimisation …

Unbiased and consistent nested sampling via sequential Monte Carlo

R Salomone, LF South, AM Johansen… - arxiv preprint arxiv …, 2018 - arxiv.org
We introduce a new class of sequential Monte Carlo methods called nested sampling via
sequential Monte Carlo (NS-SMC), which reformulates the essence of the nested sampling …