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A novel method combining the ensemble refinement by maximum entropy principle and the force field fitting approach is presented. Its formulation allows to continuously interpolate in between these two methods, which can thus be interpreted…

Chemical Physics · Physics 2024-01-30 Ivan Gilardoni , Thorben Fröhlking , Giovanni Bussi

The macroscopic forcing method (MFM) of Mani and Park and similar methods for obtaining turbulence closure operators, such as the Green's function-based approach of Hamba, recover reduced solution operators from repeated direct numerical…

Computational Physics · Physics 2024-01-19 Spencer H. Bryngelson , Florian Schäfer , Jessie Liu , Ali Mani

Multireference alignment (MRA) refers to the problem of recovering a signal from noisy samples subject to random circular shifts. Expectation--maximization (EM) and variational approaches use statistical modeling to achieve high accuracy at…

Information Theory · Computer Science 2025-10-30 Vahid Shahverdi , Emanuel Ström , Joakim Andén

Conventional methods for computing maximum-likelihood estimators (MLE) often converge slowly in practical situations, leading to a search for simplifying methods that rely on additional assumptions for their validity. In this work, we…

Quantum Physics · Physics 2017-06-28 Jiangwei Shang , Zhengyun Zhang , Hui Khoon Ng

An atomic force microscope (AFM) is capable of producing ultra-high resolution measurements of nanoscopic objects and forces. It is an indispensable tool for various scientific disciplines such as molecular engineering, solid-state physics,…

Applications · Statistics 2017-06-28 Bryan Yates , Aleksander Labuda , Martin Lysy

Atomic Force Microscopy (AFM) allows to reconstruct the topography of surface with a resolution in the nanometer range. The exceptional resolution attainable with the AFM makes this instrument a key tool in nanoscience and technology. The…

Traction Force Microscopy (TFM) computes the forces exerted at the surface of an elastic material by measuring induced deformations in volume. It is used to determine the pattern of the adhesion forces exerted by cells or by cellular…

Biological Physics · Physics 2018-02-09 Stanislav Makarchuk , Nicolas Beyer , Christian Gaiddon , Wilfried Grange , Pascal Hébraud

We propose a novel method for refining force-field parameters of protein systems. In this method, the agreement of the secondary-structure stability and instability between the protein conformations obtained by experiments and those…

Biological Physics · Physics 2013-01-08 Yoshitake Sakae , Yuko Okamoto

We present a method for reconstructing two-dimensional velocity fields at specified length scales using observational data from tracer particles in a flow, without the need for interpolation or smoothing. The algorithm, adapted from…

Fluid Dynamics · Physics 2010-04-28 Douglas H. Kelley , Nicholas T. Ouellette

In this study, we investigate the inverse source problem arising in bioluminescence tomography, the objective of which is to reconstruct both the support and the intensity of an internal light source from boundary measurements governed by…

Numerical Analysis · Mathematics 2025-11-25 Qianqian Wu , Rongfang Gong , Wei Gong , Ziyi Zhang , Shengfeng Zhu

This paper discusses the reconstruction of partially sampled spectrum-images to accelerate the acquisition in scanning transmission electron microscopy (STEM). The problem of image reconstruction has been widely considered in the literature…

Image and Video Processing · Electrical Eng. & Systems 2020-02-05 Etienne Monier , Thomas Oberlin , Nathalie Brun , Xiaoyan Li , Marcel Tencé , Nicolas Dobigeon

Reconstructing charged particle tracks is a fundamental task in modern collider experiments. The unprecedented particle multiplicities expected at the High-Luminosity Large Hadron Collider (HL-LHC) pose significant challenges for track…

High Energy Physics - Experiment · Physics 2025-12-16 Samuel Van Stroud , Philippa Duckett , Max Hart , Nikita Pond , Sébastien Rettie , Gabriel Facini , Tim Scanlon

We focus on a multidimensional field with uncorrelated spectrum, and study the quality of the reconstructed signal when the field samples are irregularly spaced and affected by independent and identically distributed noise. More…

Information Theory · Computer Science 2009-11-13 A. Nordio , C-F. Chiasserini , E. Viterbo

The study of microsystems and the development of nanotechnologies require new techniques to measure piconewton and femtonewton forces at microscopic and nanoscopic scales. Amongst the challenges, there is the need to deal with the…

Statistical Mechanics · Physics 2011-04-22 Thomas Brettschneider , Giovanni Volpe , Laurent Helden , Jan Wehr , Clemens Bechinger

The transport of intensity equation (TIE) has revolutionized phase retrieval in optical microscopy, yet its application to complex media with absorption/scattering remains challenging. Here, we present a coupled TIE-TPE (transport of phase…

Classical empirical force fields have dominated biomolecular simulation for over 50 years. Although widely used in drug discovery, crystal structure prediction, and biomolecular dynamics, they generally lack the accuracy and transferability…

We present an iterative inverse reinforcement learning algorithm to infer optimal cost functions in continuous spaces. Based on a popular maximum entropy criteria, our approach iteratively finds a weight improvement step and proposes a…

Machine Learning · Computer Science 2025-05-14 Sarmad Mehrdad , Avadesh Meduri , Ludovic Righetti

Miniaturization of force probes into nanomechanical oscillators enables ultrasensitive investigations of forces on dimensions smaller than their characteristic length scale. Meanwhile it also unravels the force field vectorial character and…

Mesoscale and Nanoscale Physics · Physics 2017-12-06 Laure Mercier de Lépinay , Benjamin Pigeau , Benjamin Besga , Pascal Vincent , Philippe Poncharal , Olivier Arcizet

In many applications it is important to estimate a fluid flow field from limited and possibly corrupt measurements. Current methods in flow estimation often use least squares regression to reconstruct the flow field, finding the…

Fluid Dynamics · Physics 2019-11-06 Jared Callaham , Kazuki Maeda , Steven L. Brunton

Usual modal analysis techniques are based on the Fourier transform. Due to the Delta T . Delta f limitation, they perform poorly when the modal overlap mu exceeds 30%. A technique based on a high-resolution analysis algorithm and an…

Data Analysis, Statistics and Probability · Physics 2013-11-04 Kerem Ege , Xavier Boutillon , Bertrand David