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The sampling problem lies at the heart of atomistic simulations and over the years many different enhanced sampling methods have been suggested towards its solution. These methods are often grouped into two broad families. On the one hand…

Computational Physics · Physics 2020-11-25 Michele Invernizzi , Pablo Miguel Piaggi , Michele Parrinello

Consider an $n \times p$ data matrix $X$ whose rows are independently sampled from a population with covariance $\Sigma$. When $n,p$ are both large, the eigenvalues of the sample covariance matrix are substantially different from those of…

Numerical Analysis · Mathematics 2017-10-03 Edgar Dobriban

We present an abstract framework for asymptotic analysis of convergence based on the notions of eventual families of sets that we define. A family of subsets of a given set is called here an "eventual family" if it is upper hereditary with…

Functional Analysis · Mathematics 2022-03-08 Yair Censor , Eliahu Levy

The iterative ensemble Kalman filter (IEnKF) is widely used in inverse problems to estimate system parameters from limited observations. However, the IEnKF, when applied to nonlinear systems, can be plagued by poor convergence. Here we…

Optimization and Control · Mathematics 2019-10-11 Jiacheng Wu , Jian-Xun Wang , Shawn C. Shadden

The wrapped normal distribution arises when a the density of a one-dimensional normal distribution is wrapped around the circle infinitely many times. At first look, evaluation of its probability density function appears tedious as an…

Computation · Statistics 2018-01-01 Gerhard Kurz , Igor Gilitschenski , Uwe D. Hanebeck

In this paper, we study the maximum entropy sampling problem (MESP) and its variants. MESP seeks to identify a small subset of variables that maximizes the determinant of a covariance submatrix, and is a fundamental model in optimal…

Optimization and Control · Mathematics 2026-04-14 Lingqing Shen , Fatma Kılınç-Karzan

We generalize the well-known zero bias distribution and the $\lambda$-Stein pair to an approximate zero bias distribution and an approximate $\lambda,R$-Stein pair, respectively. Berry Esseen type bounds to the normal, based on approximate…

Probability · Mathematics 2017-11-27 Nathakhun Wiroonsri

The Calculus of Wrapped Compartments (CWC) is a variant of the Calculus of Looping Sequences (CLS). While keeping the same expressiveness, CWC strongly simplifies the development of automatic tools for the analysis of biological systems.…

Computational Engineering, Finance, and Science · Computer Science 2010-06-29 Mario Coppo , Ferruccio Damiani , Maurizio Drocco , Elena Grassi , Angelo Troina

We study the complexity of classically sampling from the output distribution of an Ising spin model, which can be implemented naturally in a variety of atomic, molecular, and optical systems. In particular, we construct a specific example…

Quantum Physics · Physics 2017-09-20 Bill Fefferman , Michael Foss-Feig , Alexey V. Gorshkov

The problem to express a natural number N as a product of natural numbers without regard to order corresponds to a thermally isolated non-interacting Bose gas in a one-dimensional potential with logarithmic energy eigenvalues. This…

Statistical Mechanics · Physics 2007-05-23 Christoph Weiss , Steffen Page , Martin Holthaus

Biological sequences do not come at random. Instead, they appear with particular frequencies that reflect properties of the associated system or phenomenon. Knowing how biological sequences are distributed in sequence space is thus a…

Biological Physics · Physics 2024-04-18 Wei-Chia Chen , Juannan Zhou , David M. McCandlish

The unconstrained exponential family of random graphs assumes no prior knowledge of the graph before sampling, but it is natural to consider situations where partial information about the graph is known, for example the total number of…

Probability · Mathematics 2017-04-19 Richard Kenyon , Mei Yin

We discuss in detail the asymptotic distribution of sample expectiles. First, we show uniform consistency under the assumption of a finite mean. In case of a finite second moment, we show that for expectiles other then the mean, only the…

Methodology · Statistics 2016-07-14 Hajo Holzmann , Bernhard Klar

Until recently, the use of Bayesian inference in population genetics was limited to a few cases because for many realistic population genetic models the likelihood function cannot be calculated analytically . The situation changed with the…

Methodology · Statistics 2009-01-16 Christoph Leuenberger Daniel Wegmann Laurent Excoffier

We develop a Laplace's method to compute the asymptotic expansions of sums of sharply peaked sequences. These series arise as discretizations (Riemann sums) of sharply-peaked integrals, whose asymptotic behavior can be computed by the…

Mathematical Physics · Physics 2015-02-24 Davide Masoero

Within the framework of likelihood-based statistical tests for high energy physics measurements, we derive generalized expressions for estimating the statistical significance of discovery using the asymptotic approximations of Wilks and…

Data Analysis, Statistics and Probability · Physics 2021-12-21 M. J. Basso

A random composition of $n$ appears when the points of a random closed set $\widetilde{\mathcal{R}}\subset[0,1]$ are used to separate into blocks $n$ points sampled from the uniform distribution. We study the number of parts $K_n$ of this…

Probability · Mathematics 2007-05-23 Alexander Gnedin , Jim Pitman , Marc Yor

Boltzmann generators approach the sampling problem in many-body physics by combining a normalizing flow and a statistical reweighting method to generate samples of a physical system's equilibrium density. The equilibrium distribution is…

Computational Physics · Physics 2020-12-02 Manuel Dibak , Leon Klein , Frank Noé

A two-parameter family of exchangeable partitions with a simple updating rule is introduced. The partition is identified with a randomized version of a standard symmetric Dirichlet species-sampling model with finitely many types. A…

Probability · Mathematics 2010-01-27 Alexander Gnedin

A random set is a generalisation of a random variable, i.e. a set-valued random variable. The random set theory allows a unification of other uncertainty descriptions such as interval variable, mass belief function in Dempster-Shafer theory…

Numerical Analysis · Mathematics 2018-11-27 Truong-Vinh Hoang , Hermann G. Matthies
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