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To optimize diffusion MRI acquisition protocols for IMPULSED model at clinical 3T scanner using Bayesian experimental design, enabling accurate cellular-scale parameter estimation under realistic scan time and scanner hardware constraints.…

The sample efficiency of Bayesian optimization algorithms depends on carefully crafted acquisition functions (AFs) guiding the sequential collection of function evaluations. The best-performing AF can vary significantly across optimization…

Atomic scale simulations are a key element of modern science in that they allow to understand, and even predict, complex physical or chemical phenomena on the basis of the fundamental laws of nature. Among the different existing atomic…

Materials Science · Physics 2021-07-20 Alexandre Boulle , Alain Chartier , Aurélien Debelle , Xin Jin , Jean-Paul Crocombette

Quantum sensing harnesses the unique properties of quantum systems to enable precision measurements of physical quantities such as time, magnetic and electric fields, acceleration, and gravitational gradients well beyond the limits of…

Quantum Physics · Physics 2025-07-23 Ivana Nikoloska , Ruud Van Sloun , Osvaldo Simeone

Image acquisition techniques such as micro-computed tomography are nowadays widely available. Quantitative analysis of the resulting 3D image data enables geometric characterization of the micro-structure of materials. Stochastic geometry…

Numerical Analysis · Mathematics 2025-01-28 Anne Jung , Claudia Redenbach , Katja Schladitz , Sarah Staub

In cryo-electron microscopy (EM), molecular structures are determined from large numbers of projection images of individual particles. To harness the full power of this single-molecule information, we use the Bayesian inference of EM…

Biomolecules · Quantitative Biology 2018-01-17 Pilar Cossio , David Rohr , Fabio Baruffa , Markus Rampp , Volker Lindenstruth , Gerhard Hummer

We introduce a Bayesian genetic algorithm for reconstructing atomic models of nanoparticles from a single projection using Z-contrast imaging. The number of atoms in a projected atomic column obtained from annular dark field scanning…

Materials Science · Physics 2022-03-31 Annick De Backer , Sandra Van Aert , Peter D. Nellist , Lewys Jones

This study presents an advanced numerical framework that integrates experimentally acquired Atomic Force Microscope (AFM) data into high-fidelity simulations for adhesive rough contact problems, bridging the gap between experimental physics…

Computational Engineering, Finance, and Science · Computer Science 2025-04-04 Maria Rosaria Marulli , Jacopo Bonari , Pasqualantonio Pingue , Marco Paggi

Relevant to broad applied fields and natural processes, interfacial ionic hydrates has been widely studied by ultrahigh-resolution atomic force microscopy (AFM). However, the complex relationship between AFM signal and the investigated…

Mesoscale and Nanoscale Physics · Physics 2023-04-25 Binze Tang , Yizhi Song , Mian Qin , Ye Tian , Duanyun Cao , Zhen Wei Wu , Ying Jiang , Limei Xu

A significant challenge in object detection is accurate identification of an object's position in image space, whereas one algorithm with one set of parameters is usually not enough, and the fusion of multiple algorithms and/or parameters…

Computer Vision and Pattern Recognition · Computer Science 2018-03-20 Pan Wei , John E. Ball , Derek T. Anderson

Artificial intelligence (AI) and machine learning have promised to revolutionize the way we live and work, and one of particularly promising areas for AI is image analysis. Nevertheless, many current AI applications focus on post-processing…

Materials Science · Physics 2020-07-31 Boyuan Huang , Zhenghao Li , Jiangyu Li

The study explores machine learning methods for revealing chemical sensitivity in Helium spin-echo spectroscopy, in order to obtain ultra-sensitive surface analytic technique. We model bi-species co-adsorbed systems and demonstrate that by…

Chemical Physics · Physics 2020-12-04 Reinis Irmejs , Nadav Avidor

It is a common practice to exploit pyramidal feature representation to tackle the problem of scale variation in object instances. However, most of them still predict the objects in a certain range of scales based solely or mainly on a…

Computer Vision and Pattern Recognition · Computer Science 2020-12-10 Zehui Gong , Dong Li

Accurate protein structural ensembles can be determined with metainference, a Bayesian inference method that integrates experimental information with prior knowledge of the system and deals with all sources of uncertainty and errors as well…

Quantitative Methods · Quantitative Biology 2019-01-24 Thomas Löhr , Carlo Camilloni , Massimiliano Bonomi , Michele Vendruscolo

Cosmological probes pose an inverse problem where the measurement result is obtained through observations, and the objective is to infer values of model parameters which characterize the underlying physical system -- our Universe. Modern…

Instrumentation and Methods for Astrophysics · Physics 2019-05-21 Timur Takhtaganov , Zarija Lukic , Juliane Mueller , Dmitriy Morozov

Virtual screening can accelerate drug discovery by identifying promising candidates for experimental evaluation. Machine learning is a powerful method for screening, as it can learn complex structure-property relationships from experimental…

Machine Learning · Computer Science 2021-02-22 Simon Axelrod , Rafael Gomez-Bombarelli

Numerical integration and emulation are fundamental topics across scientific fields. We propose novel adaptive quadrature schemes based on an active learning procedure. We consider an interpolative approach for building a surrogate…

Computation · Statistics 2021-01-20 F. Llorente , L. Martino , V. Elvira , D. Delgado , J. López-Santiago

In spite of their ubiquitous applications, the characterization of glass fibers by means of all-optical techniques is still facing some limitations. Recently, X-ray absorption has been proposed as a method for visualizing the inner…

Multiple kernel learning algorithms are proposed to combine kernels in order to obtain a better similarity measure or to integrate feature representations coming from different data sources. Most of the previous research on such methods is…

Machine Learning · Computer Science 2012-07-03 Mehmet Gonen

Bloom filters are widely used data structures that compactly represent sets of elements. Querying a Bloom filter reveals if an element is not included in the underlying set or is included with a certain error rate. This membership testing…

Databases · Computer Science 2022-08-08 Angjela Davitkova , Damjan Gjurovski , Sebastian Michel