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Data-driven design of mechanical metamaterials is an increasingly popular method to combat costly physical simulations and immense, often intractable, geometrical design spaces. Using a precomputed dataset of unit cells, a multiscale…

Computational Engineering, Finance, and Science · Computer Science 2021-12-08 Yu-Chin Chan , Faez Ahmed , Liwei Wang , Wei Chen

Micro-structured materials consisting of an array of microstructures are engineered to provide the specific material properties. This present work investigates the design of cellular materials under the framework of level set, so as to…

Computational Engineering, Finance, and Science · Computer Science 2018-11-13 Jie Gao , Hao Li , Zhen Luo , Liang Gao , Peigen Li

This chapter discusses the importance of incorporating three-dimensional symmetries in the context of statistical learning models geared towards the interpolation of the tensorial properties of atomic-scale structures. We focus on Gaussian…

Chemical Physics · Physics 2019-04-04 Andrea Grisafi , David M. Wilkins , Michael J. Willatt , Michele Ceriotti

Parametric optimization is an important product design technique, especially in the context of the modern parametric feature-based CAD paradigm. Realizing its full potential, however, requires a closed loop between CAD and CAE (i.e.,…

Computational Engineering, Finance, and Science · Computer Science 2023-03-28 Ming Li , Chengfeng Lin , Wei Chen , Yusheng Liu , Shuming Gao , Qiang Zou

The reconfigurability of radio environments with programmable metasurfaces is considered a key feature of next-generation wireless networks. Identifying suitable metasurface configurations for desired wireless functionalities requires a…

Signal Processing · Electrical Eng. & Systems 2023-08-07 Jérôme Sol , Hugo Prod'homme , Luc Le Magoarou , Philipp del Hougne

Inverse design of large-area metasurfaces can potentially exploit the full parameter space that such devices offer and achieve highly efficient multifunctional flat optical elements. However, since practically useful flat optics elements…

The modeling of atomistic biomolecular simulations using kinetic models such as Markov state models (MSMs) has had many notable algorithmic advances in recent years. The variational principle has opened the door for a nearly fully automated…

Biological Physics · Physics 2019-11-26 Martin K. Scherer , Brooke E. Husic , Moritz Hoffmann , Fabian Paul , Hao Wu , Frank Noé

Atomic diffusion affects the properties of various engineering materials, which predominantly occur in the polycrystalline state. A rigorous description of polycrystalline diffusion must therefore account for crystallographic defects,…

Materials Science · Physics 2025-10-21 Lena Scholz , Yongliang Ou , Blazej Grabowski , Felix Fritzen

Tissue engineering aims to grow artificial tissues \emph{in vitro} to replace those in the body that have been damaged through age, trauma or disease. A recent approach to engineer artificial cartilage involves seeding cells within a…

Soft Condensed Matter · Physics 2017-12-05 M. J. Chen , L. S. Kimpton , J. P. Whiteley , M. Castilho , J. Malda , C. P. Please , S. L. Waters , H. M. Byrne

Over the last two decades, scientific literature has been blooming with various means of simulating epithelial cell colonies. Each of these simulations can be separated by their respective efficiency (expressed in terms of consumed…

Computational Physics · Physics 2022-12-20 Kevin Höllring , Ana-Sunčana Smith

A computer simulation has to be fast to be helpful, if it is employed to study the behavior of a multicomponent dynamic system. This paper discusses modeling concepts and algorithmic techniques useful for creating such fast simulations.…

Data Structures and Algorithms · Computer Science 2007-05-23 Boris D. Lubachevsky

In this work we propose a novel and fully automated method for extracting the yarn geometrical features in woven composites so that a direct parametrization of the textile reinforcement is achieved (e.g., FE mesh). Thus, our aim is not only…

Computer Vision and Pattern Recognition · Computer Science 2021-06-29 Arturo Mendoza , Roger Trullo , Yanneck Wielhorski

Data-driven approaches such as deep learning can result in predictive models for material properties with exceptional accuracy and efficiency. However, in many applications, data is sparse, severely limiting their accuracy and…

Machine Learning · Computer Science 2025-10-29 Robert J Appleton , Brian C Barnes , Alejandro Strachan

The study is devoted to the geometrically nonlinear simulation of fiber-reinforced composite structures. The applicability of the multiplicative approach to the simulation of viscoelastic properties of a composite material is assessed,…

Applied Physics · Physics 2021-03-15 I. I. Tagiltsev , P. P. Laktionov , A. V. Shutov

Evaluating the quality of learned representations without relying on a downstream task remains one of the challenges in representation learning. In this work, we present Geometric Component Analysis (GeomCA) algorithm that evaluates…

Machine Learning · Computer Science 2021-05-27 Petra Poklukar , Anastasia Varava , Danica Kragic

Artificial intelligence for scientific discovery has recently generated significant interest within the machine learning and scientific communities, particularly in the domains of chemistry, biology, and material discovery. For these…

The optimization of geometries for aerodynamic design often relies on a large number of expensive simulations to evaluate and iteratively improve the geometries. It is possible to reduce the number of simulations by providing a starting…

Computational Engineering, Finance, and Science · Computer Science 2024-09-23 Thomas Wagenaar , Simone Mancini , Andrés Mateo-Gabín

The ever-increasing parameter counts of deep learning models necessitate effective compression techniques for deployment on resource-constrained devices. This paper explores the application of information geometry, the study of…

Machine Learning · Computer Science 2025-07-15 Zakhar Shumaylov , Vasileios Tsiaras , Yannis Stylianou

The research and development cycle of advanced manufacturing processes traditionally requires a large investment of time and resources. Experiments can be expensive and are hence conducted on relatively small scales. This poses problems for…

Computer Vision and Pattern Recognition · Computer Science 2023-02-17 Scott Howland , Lara Kassab , Keerti Kappagantula , Henry Kvinge , Tegan Emerson

The prediction of the effective elastic properties of polymer bonded explosives using direct numerical simulations is computationally expensive because of the high volume fraction of particles in these particulate composites ($\sim$0.90)…

Materials Science · Physics 2012-01-13 Biswajit Banerjee , Daniel O. Adams