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Maximum a posteriori (MAP) estimation, like all Bayesian methods, depends on prior assumptions. These assumptions are often chosen to promote specific features in the recovered estimate. The form of the chosen prior determines the shape of…

Methodology · Statistics 2022-11-15 Zilai Si , Yucong Liu , Alexander Strang

We present a new, biased Monte Carlo scheme for simulating complex, cyclic peptides. Backbone atoms are equilibrated with a biased rebridging scheme, and side-chain atoms are equilibrated with a look-ahead configurational bias Monte Carlo.…

Biological Physics · Physics 2009-10-31 Minghong G. Wu , Michael W. Deem

Second order stochastic optimization methods, such as the linear method, couple the updates of different parameters and, in so doing, allow statistical uncertainty in one parameter to affect the update of other parameters. In simple tests,…

Chemical Physics · Physics 2025-08-26 Trine Kay Quady , Eric Neuscamman

We present powerful new analysis techniques to constrain effective field theories at the LHC. By leveraging the structure of particle physics processes, we extract extra information from Monte-Carlo simulations, which can be used to train…

High Energy Physics - Phenomenology · Physics 2018-09-19 Johann Brehmer , Kyle Cranmer , Gilles Louppe , Juan Pavez

While Spectral Methods have long been used for Principal Component Analysis, this survey focusses on work over the last 15 years with three salient features: (i) Spectral methods are useful not only for numerical problems, but also discrete…

Data Structures and Algorithms · Computer Science 2010-04-09 Ravindran Kannan

In this work we present a novel 3D Monte Carlo photon transport program for simulation of multiple refractive scattering based on the refractive properties of X-rays in highly scattering media, like lung tissue. Multiple scattering reduces…

Medical Physics · Physics 2010-02-03 A. N. Khromova , L. Rigon , F. Arfelli , R. H. Menk , H. J. Besch , H. Plothow-Besch

Computing the conditional mode of a distribution, better known as the $\mathit{maximum\ a\ posteriori}$ (MAP) assignment, is a fundamental task in probabilistic inference. However, MAP estimation is generally intractable, and remains hard…

Machine Learning · Computer Science 2026-01-23 Matthew Shorvon , Frederik Mallmann-Trenn , David S. Watson

We present a multi-level Monte Carlo (MLMC) algorithm with adaptively refined meshes and accurately computed stopping-criteria utilizing adjoint-based a posteriori error analysis for differential equations. This is in contrast to classical…

Numerical Analysis · Mathematics 2022-06-08 Jehanzeb Chaudhry , Zachary Stevens

We apply multilevel Monte Carlo for option pricing problems using exponential L\'{e}vy models with a uniform timestep discretisation to monitor the running maximum required for lookback and barrier options. The numerical results demonstrate…

Computational Finance · Quantitative Finance 2017-05-31 Mike Giles , Yuan Xia

Monte Carlo dropout may effectively capture model uncertainty in deep learning, where a measure of uncertainty is obtained by using multiple instances of dropout at test time. However, Monte Carlo dropout is applied across the whole network…

Signal Processing · Electrical Eng. & Systems 2020-02-03 Liangping Ma , John Kaewell

This article reviews the application of advanced Monte Carlo techniques in the context of Multilevel Monte Carlo (MLMC). MLMC is a strategy employed to compute expectations which can be biased in some sense, for instance, by using the…

Computation · Statistics 2017-04-25 Ajay Jasra , Kody Law , Carina Suciu

The rank envelope test (Myllym\"aki et al., Global envelope tests for spatial processes, arXiv:1307.0239 [stat.ME]) is proposed as a solution to multiple testing problem for Monte Carlo tests. Three different situations are recognized: 1) a…

Methodology · Statistics 2015-06-05 Tomáš Mrkvička , Mari Myllymäki , Ute Hahn

In lattice QCD the calculation of disconnected quark loops from the trace of the inverse quark matrix has large noise variance. A multilevel Monte Carlo method is proposed for this problem that uses different degree polynomials on a…

High Energy Physics - Lattice · Physics 2024-02-02 Paul Lashomb , Ronald B. Morgan , Travis Whyte , Walter Wilcox

A reliable support detection is essential for a greedy algorithm to reconstruct a sparse signal accurately from compressed and noisy measurements. This paper proposes a novel support detection method for greedy algorithms, which is referred…

Information Theory · Computer Science 2016-08-24 Namyoon Lee

In recent years there has been much interest in the Monte Carlo tree search algorithm, a new, adaptive, randomized optimization algorithm. In fields as diverse as Artificial Intelligence, Operations Research, and High Energy Physics,…

Distributed, Parallel, and Cluster Computing · Computer Science 2016-05-17 S. Ali Mirsoleimani , Aske Plaat , Jaap van den Herik , Jos Vermaseren

Monte-Carlo (MC) methods, based on random updates and the trial-and-error principle, are well suited to retrieve particle size distributions from small-angle scattering patterns of dilute solutions of scatterers. The size sensitivity of…

Data Analysis, Statistics and Probability · Physics 2013-03-19 Brian Richard Pauw , Jan-Skov Pedersen , Samuel Tardif , Masaki Takata , Bo Brummersted Iversen

We present a new proximal bundle method for Maximum-A-Posteriori (MAP) inference in structured energy minimization problems. The method optimizes a Lagrangean relaxation of the original energy minimization problem using a multi plane…

Machine Learning · Computer Science 2019-04-08 Paul Swoboda , Vladimir Kolmogorov

The spectral representation separates the contributions of geometrical arrangement (topology) and intrinsic constituent properties in a composite. The aim of paper is to present a numerical algorithm based on the Monte Carlo integration and…

Other Condensed Matter · Physics 2007-05-23 Enis Tuncer

A Monte Carlo model was used to study the scattering error of an absorption meter with a divergent light beam and a limited acceptance angle of the receiver. Reflections at both ends of the tube were taken into account. Calculations of the…

Atmospheric and Oceanic Physics · Physics 2009-11-06 Jacek Piskozub , Piotr J. Flatau , J. V. R. Zaneveld

Least squares Monte Carlo methods are a popular numerical approximation method for solving stochastic control problems. Based on dynamic programming, their key feature is the approximation of the conditional expectation of future rewards by…

Optimization and Control · Mathematics 2022-03-28 Christian Bayer , Denis Belomestny , Paul Hager , Paolo Pigato , John Schoenmakers , Vladimir Spokoiny