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Multiscale modeling is essential for understanding the complex behavior of materials. However, accurately transferring all relevant information from one scale to another has remained an outstanding challenge. Neural operators,…

Materials Science · Physics 2026-05-12 Kaushik Bhattacharya

Purpose: From the myofibrils to the whole muscle scale, muscle micro-constituents exhibit passive and active mechanical properties, potentially coupled to electrical, chemical, and thermal properties. Experimental characterization of some…

Medical Physics · Physics 2024-06-25 Aude Loumeaud , Philippe Pouletaut , Sabine Bensamoun , Daniel George , Simon Chatelin

The modeling and uncertainty quantification of closed curves is an important problem in the field of shape analysis, and can have significant ramifications for subsequent statistical tasks. Many of these tasks involve collections of closed…

Machine Learning · Statistics 2023-03-15 Hengrui Luo , Justin D. Strait

Several multiscale methods account for sub-grid scale features using coarse scale basis functions. For example, in the Multiscale Finite Volume method the coarse scale basis functions are obtained by solving a set of local problems over…

Machine Learning · Computer Science 2017-11-15 Shing Chan , Ahmed H. Elsheikh

Multilevel or hierarchical data structures can occur in many areas of research, including economics, psychology, sociology, agriculture, medicine, and public health. Over the last 25 years, there has been increasing interest in developing…

Methodology · Statistics 2018-01-08 Bernet S. Kato , Carel F. W. Peeters

In this paper we sum up our works on multiscale programs, mainly simulations. We first start with describing what multiscaling is about, how it helps perceiving signal from a background noise in a ?ow of data for example, for a direct…

Artificial Intelligence · Computer Science 2016-11-25 Pierrick Tranouez , Antoine Dutot

Molecular simulations and biophysical experiments can be used to provide independent and complementary insights into the molecular origin of biological processes. A particularly useful strategy is to use molecular simulations as a modelling…

Chemical Physics · Physics 2019-12-10 Simone Orioli , Andreas Haahr Larsen , Sandro Bottaro , Kresten Lindorff-Larsen

The complexity of biological systems and processes, spanning molecular to macroscopic scales, necessitates the use of multiscale simulations to get a comprehensive understanding. Quantum mechanics/molecular mechanics (QM/MM) molecular…

Model-based experimental design is attracting increasing attention in chemical process engineering. Typically, an iterative procedure is pursued: an approximate model is devised, prescribed experiments are then performed and the resulting…

Optimization and Control · Mathematics 2021-01-25 Charlie Vanaret , Philipp Seufert , Jan Schwientek , Gleb Karpov , Gleb Ryzhakov , Ivan Oseledets , Norbert Asprion , Michael Bortz

Multidimensional population balance models (PBMs) describe chemical and biological processes having a distribution over two or more intrinsic properties (such as size and age, or two independent spatial variables). The incorporation of…

Computational Engineering, Finance, and Science · Computer Science 2025-04-29 Pavan Inguva , Richard D. Braatz

Electrostatic forces play many important roles in molecular biology, but are hard to model due to the complicated interactions between biomolecules and the surrounding solvent, a fluid composed of water and dissolved ions. Continuum model…

Numerical Analysis · Mathematics 2015-12-29 Jaydeep P. Bardhan , Matthew G. Knepley

The evolution of local defects such as dislocations and cracks often determines the performance of engineering materials. For a proper description and understanding of these phenomena, one needs to descend to a very small scale, at which…

Soft Condensed Matter · Physics 2021-05-04 K. Mikeš , F. Bormann , O. Rokoš , R. H. J. Peerlings

A trend across most areas where simulation-driven development is used is the ever increasing size and complexity of the systems under consideration, pushing established methods of modeling and simulation towards their limits. This paper…

Numerical Analysis · Mathematics 2019-09-04 Gerald Schweiger , Henrik Nilsson , Josef Schoeggl , Wolfgang Birk , Alfred Posch

The applicability of computational models to the biological world is an active topic of debate. We argue that a useful path forward results from abandoning hard boundaries between categories and adopting an observer-dependent, pragmatic…

Multiagent Systems · Computer Science 2022-12-22 Joshua Bongard , Michael Levin

Applications in quantitative finance such as optimal trade execution, risk management of options, and optimal asset allocation involve the solution of high dimensional and nonlinear Partial Differential Equations (PDEs). The connection…

Machine Learning · Statistics 2019-10-28 Batuhan Güler , Alexis Laignelet , Panos Parpas

We explore probability modelling of discretization uncertainty for system states defined implicitly by ordinary or partial differential equations. Accounting for this uncertainty can avoid posterior under-coverage when likelihoods are…

Methodology · Statistics 2016-10-25 Oksana A. Chkrebtii , David A. Campbell , Ben Calderhead , Mark A. Girolami

In this paper, a methodology for fine scale modeling of large scale structures is proposed, which combines the variational multiscale method, domain decomposition and model order reduction. The influence of the fine scale on the coarse…

Computational Engineering, Finance, and Science · Computer Science 2023-07-06 Philipp Diercks , Karen Veroy , Annika Robens-Radermacher , Jörg F. Unger

This article presents an empirical validation of the functional multidimensional scaling model, a novel approach that improves the smoothness of time-varying dissimilarities in a low-dimensional space, embedding a modified Adam stochastic…

Applications · Statistics 2025-05-21 Liting Li

Advances in architectural design, data availability, and compute have driven remarkable progress in semantic segmentation. Yet, these models often rely on relaxed Bayesian assumptions, omitting critical uncertainty information needed for…

Computer Vision and Pattern Recognition · Computer Science 2026-02-19 M. M. A. Valiuddin , R. J. G. van Sloun , C. G. A. Viviers , P. H. N. de With , F. van der Sommen

Multilevel modeling and simulation (M&S) is becoming increasingly relevant due to the benefits that this methodology offers. Multilevel models allow users to describe a system at multiple levels of detail. From one side, this can make…

Software Engineering · Computer Science 2024-03-26 Luca Serena , Moreno Marzolla , Gabriele D'Angelo , Stefano Ferretti