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Consider the macroscale modelling of microscale spatiotemporal dynamics. Here we develop a new approach to ensure coarse scale discrete models preserve important self-adjoint properties of the fine scale dynamics. The first part explores…

Cellular Automata and Lattice Gases · Physics 2008-11-06 A. J. Roberts

In the present work, a machine learning based constitutive model for electro-mechanically coupled material behavior at finite deformations is proposed. Using different sets of invariants as inputs, an internal energy density is formulated…

Computational Engineering, Finance, and Science · Computer Science 2022-08-30 Dominik K. Klein , Rogelio Ortigosa , Jesús Martínez-Frutos , Oliver Weeger

Coupled length and time scales determine the dynamic behavior of polymers and underlie their unique viscoelastic properties. To resolve the long-time dynamics it is imperative to determine which time and length scales must be correctly…

Soft Condensed Matter · Physics 2016-02-16 K. Michael Salerno , Anupriya Agrawal , Dvora Perahia , Gary S. Grest

Predicting and enhancing inherent properties based on molecular structures is paramount to design tasks in medicine, materials science, and environmental management. Most of the current machine learning and deep learning approaches have…

Machine Learning · Computer Science 2024-04-08 Zachary R. Fox , Ayana Ghosh

Due to the intrinsic complexity and nonlinearity of chemical reactions, direct applications of traditional machine learning algorithms may face with many difficulties. In this study, through two concrete examples with biological background,…

Molecular Networks · Quantitative Biology 2020-06-02 Wuyue Yang , Liangrong Peng , Yi Zhu , Liu Hong

Machine learning of microstructure--property relationships from data is an emerging approach in computational materials science. Most existing machine learning efforts focus on the development of task-specific models for each…

Computer Vision and Pattern Recognition · Computer Science 2025-06-27 Sheila E. Whitman , Marat I. Latypov

In this work, we propose a multi-stage training strategy for the development of deep learning algorithms applied to problems with multiscale features. Each stage of the pro-posed strategy shares an (almost) identical network structure and…

Numerical Analysis · Mathematics 2020-09-25 Eric Chung , Wing Tat Leung , Sai-Mang Pun , Zecheng Zhang

Accurately predicting friction in sliding interfaces that contain third body wear particles is critical for engineering applications such as sliding movement in pistons, bearings, or metal forming. We present a hierarchical multiscale…

In all but the most trivial optimization problems, the structure of the solutions exhibit complex interdependencies between the input parameters. Decades of research with stochastic search techniques has shown the benefit of explicitly…

Neural and Evolutionary Computing · Computer Science 2017-03-23 Shumeet Baluja

The properties of constrained fluids have increasingly gained relevance for applications ranging from materials to biology. In this work, we propose a multiscale model using twin neural networks to investigate the properties of a fluid…

Chemical Physics · Physics 2024-08-07 Peiyuan Gao , George Em Karniadakis , Panos Stinis

Neural network based models have emerged as a powerful tool in multiscale modeling of materials. One promising approach is to use a neural network based model, trained using data generated from repeated solution of an expensive small scale…

Applied Physics · Physics 2024-02-21 Yupeng Zhang , Kaushik Bhattacharya

This paper investigates the impact of multiscale data on machine learning algorithms, particularly in the context of deep learning. A dataset is multiscale if its distribution shows large variations in scale across different directions.…

Machine Learning · Computer Science 2024-02-07 Juncai He , Liangchen Liu , Yen-Hsi Richard Tsai

Representation learning has been widely studied in the context of meta-learning, enabling rapid learning of new tasks through shared representations. Recent works such as MAML have explored using fine-tuning-based metrics, which measure the…

Machine Learning · Computer Science 2021-05-06 Kurtland Chua , Qi Lei , Jason D. Lee

Recent years have seen rapid progress at the intersection between causality and machine learning. Motivated by scientific applications involving high-dimensional data, in particular in biomedicine, we propose a deep neural architecture for…

Machine Learning · Computer Science 2022-12-12 Kai Lagemann , Christian Lagemann , Bernd Taschler , Sach Mukherjee

The ability to automatically discover interpretable mathematical models from data could forever change how we model soft matter systems. For convex discovery problems with a unique global minimum, model discovery is well-established. It…

Soft Condensed Matter · Physics 2024-04-11 Kevin Linka , Ellen Kuhl

Deep neural networks can be powerful tools, but require careful application-specific design to ensure that the most informative relationships in the data are learnable. In this paper, we apply deep neural networks to the nonlinear…

Machine Learning · Computer Science 2019-12-04 Matthew A. Wright , Simon F. G. Ehlers , Roberto Horowitz

Flexible piezoelectric devices made of polymeric materials are widely used for micro- and nano-electro-mechanical systems. In particular, numerous recent applications concern energy harvesting. Due to the importance of computational…

Computational Physics · Physics 2014-10-06 Claudio Maruccio , Laura De Lorenzis , Luana Persano , Dario Pisignano

The large time and length scales and, not least, the vast number of particles involved in industrial-scale simulations inflate the computational costs of the Discrete Element Method (DEM) excessively. Coarse grain models can help to lower…

Computational Physics · Physics 2017-05-11 Daniel Queteschiner , Thomas Lichtenegger , Simon Schneiderbauer , Stefan Pirker

In multiscale modelling, multiple models are used simultaneously to describe scale-dependent phenomena in a system of interest. Here we introduce a machine learning (ML)-based multiscale modelling framework for modelling hierarchical…

Geophysics · Physics 2022-04-13 Mark Ashworth , Ahmed Elsheikh , Florian Doster

Multiscale modeling is a systematic approach to describe the behavior of complex systems by coupling models from different scales. The approach has been demonstrated to be very effective in areas of science as diverse as materials science,…

Computational Physics · Physics 2020-01-08 Ting Wang , Kenneth W. Leiter , Petr Plechac , Jaroslaw Knap
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