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We present a new framework for the simultaneous optimiziation of both the topology as well as the relative density grading of cellular structures and materials, also known as lattices. Due to manufacturing constraints, the optimization…

Computational Engineering, Finance, and Science · Computer Science 2025-05-27 Jonathan Stollberg , Tarun Gangwar , Oliver Weeger , Dominik Schillinger

We propose a multiscale method for mixed-dimensional elliptic problems with highly heterogeneous coefficients arising, for example, in the modeling of fractured porous media. The method is based on the Localized Orthogonal Decomposition…

Numerical Analysis · Mathematics 2026-03-23 Moritz Hauck , Axel Målqvist , Malin Mosquera

Effective and accurate characterization and quantification of complex microstructure of a heterogeneous material and its evolution under external stimuli are very challenging, yet crucial to achieving reliable material performance…

Materials Science · Physics 2019-05-20 Pei-En Chen , Wenxiang Xu , Nikhilesh Chawla , Yi Ren , and Yang Jiao

As technology scaling is approaching the physical limit, lithography hotspot detection has become an essential task in design for manufacturability. While the deployment of pattern matching or machine learning in hotspot detection can help…

Machine Learning · Computer Science 2021-08-02 Xuezhong Lin , Jingyu Pan , Jinming Xu , Yiran Chen , Cheng Zhuo

A supervised machine learning (ML) based computational methodology for the design of particulate multifunctional composite materials with desired thermal conductivity (TC) is presented. The design variables are physical descriptors of the…

Computational Physics · Physics 2025-07-25 Mohammad Saber Hashemi , Masoud Safdari , Azadeh Sheidaei

We propose a hierarchy of multi-level kinetic Monte Carlo methods for sampling high-dimensional, stochastic lattice particle dynamics with complex interactions. The method is based on the efficient coupling of different spatial resolution…

Numerical Analysis · Mathematics 2012-08-06 Evangelia Kalligiannaki , Markos A. Katsoulakis , Petr Plechac

Lattice metamaterials enable lightweight, multifunctional structures, yet homogenization-based evaluation of their effective properties remains computationally expensive. Neural surrogates offer speed but often lack the accuracy and…

Graphics · Computer Science 2026-04-30 Yu Xing , Yang Liu , Tianyang Xue , Lin Lu

Establishing structure-property linkages in polycrystalline materials requires representative two- (2D) and three- (3D) dimensional microstructural inputs for full-field simulations. A core objective of microstructure characterization and…

Multi-fidelity modeling and calibration are data fusion tasks that ubiquitously arise in engineering design. In this paper, we introduce a novel approach based on latent-map Gaussian processes (LMGPs) that enables efficient and accurate…

Machine Learning · Statistics 2022-01-17 Nicholas Oune , Jonathan Tammer Eweis-Labolle , Ramin Bostanabad

We determine the effective behavior of a class of composites in finite-strain crystal plasticity, based on a variational model for materials made of fine parallel layers of two types. While one component is completely rigid in the sense…

Analysis of PDEs · Mathematics 2016-04-13 Fabian Christowiak , Carolin Kreisbeck

Precise characterization of three-dimensional heterogeneous media is indispensable in finding the relationships between structure and macroscopic physical properties (permeability, conductivity, and others). The most widely used…

Materials Science · Physics 2021-09-15 Aleksei Cherkasov , Andrey Ananev , Marina Karsanina , Aleksey Khlyupin , Kirill Gerke

We propose an algorithm for the computational homogenization of locally periodic hyperelastic structures undergoing large deformations due to external quasi-static loading. The algorithm performs clustering of macroscopic deformations into…

Numerical Analysis · Mathematics 2026-02-26 Vladimír Lukeš , Eduard Rohan

Recent years have seen growing application potential for Lattice-skin Plate Structures in advanced manufacturing fields such as aerospace and automotive engineering. For multiscale performance evaluation of such structures, conventional…

Computational Engineering, Finance, and Science · Computer Science 2026-05-04 Zhongkai Ji , Dawei Li , Yong Zhao , Wenhe Liao

The paper contains a development of the previously proposed generalized lattice model (GLM). In contrast to usual lattice models, the difference of the specific atomic volumes of the components is taken in account in GLM. In addition to…

Statistical Mechanics · Physics 2010-03-16 A. Yu. Zakharov , A. A. Schneider , A. L. Udovsky

We address the problem to infer physical material parameters and boundary conditions from the observed motion of a homogeneous deformable object via the solution of an inverse problem. Parameters are estimated from potentially unreliable…

Graphics · Computer Science 2022-07-26 Sebastian Weiss , Robert Maier , Rüdiger Westermann , Daniel Cremers , Nils Thuerey

We propose R3GS, a robust reconstruction and relocalization framework tailored for unconstrained datasets. Our method uses a hybrid representation during training. Each anchor combines a global feature from a convolutional neural network…

Computer Vision and Pattern Recognition · Computer Science 2025-05-22 Xu yan , Zhaohui Wang , Rong Wei , Jingbo Yu , Dong Li , Xiangde Liu

In this work, we have developed a multiscale computational algorithm to couple finite element method with an open source molecular dynamics code --- the Large scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) --- to perform…

Soft Condensed Matter · Physics 2019-09-17 Takahiro Murashima , Shingo Urata , Shaofan Li

Inferring the graph structure from observed data is a key task in graph machine learning to capture the intrinsic relationship between data entities. While significant advancements have been made in learning the structure of homogeneous…

Machine Learning · Computer Science 2025-03-13 Keyue Jiang , Bohan Tang , Xiaowen Dong , Laura Toni

A multiscale asymptotic homogenization method for periodic microstructured materials in presence of thermoelasticity with periodic spatially dependent one relaxation time is introduced. The asymptotic expansions of the micro-displacement…

Materials Science · Physics 2021-04-12 Deison Préve , Andrea Bacigalupo , Marco Paggi

Hyper-spectral data can be analyzed to recover physical properties at large planetary scales. This involves resolving inverse problems which can be addressed within machine learning, with the advantage that, once a relationship between…

Applications · Statistics 2015-12-31 Antoine Deleforge , Florence Forbes , Sileye Ba , Radu Horaud