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Hierarchically designed mechanical metamaterials involve nested levels of structural organization, mimicking natural structures (such as bones, wood, and bird feathers) to create advanced functional materials. Compositional hierarchy, a…

Soft Condensed Matter · Physics 2026-05-21 Shammo Dutta , Girish Krishnan , Sree Kalyan Patiballa

There has been a growing interest in statistical inference from data satisfying the so-called manifold hypothesis, assuming data points in the high-dimensional ambient space to lie in close vicinity of a submanifold of much lower dimension.…

Methodology · Statistics 2023-01-04 Rong Tang , Yun Yang

Owing to additive manufacturing techniques, a structure at millimeter length scale (macroscale) can be produced by using a lattice substructure at micrometer length scale (microscale). Such a system is called a metamaterial at the…

Computational Engineering, Finance, and Science · Computer Science 2019-11-25 H. Yang , B. E. Abali , W. H. Müller , D. Timofeev

Machine learning models for functional materials design require precise and informative representations of material systems. Common representations encode atomic composition and bonding but often do not include local coordination…

Materials Science · Physics 2026-03-17 Anoj Aryal , Weiyi Gong , Huta Banjade , Qimin Yan

Binary deterministic sensing matrices are highly desirable for sampling sparse signals, as they require only a small number of sum-operations to generate the measurement vector. Furthermore, sparse sensing matrices enable the use of…

Signal Processing · Electrical Eng. & Systems 2025-02-20 Mohamad Mahdi Mohades , Hossein Mohades , S. Fatemeh Zamanian

Architected materials achieve unique mechanical properties through precisely engineered microstructures that minimize material usage. However, a key challenge of low-density materials is balancing high stiffness with stable deformability up…

Materials Science · Physics 2024-09-20 Matheus I. N. Rosa , Konstantinos Karapiperis , Kaoutar Radi , Dennis M. Kochmann

When deformation gradients act on the scale of the microstructure of a part due to geometry and loading, spatial correlations and finite-size effects in simulation cells cannot be neglected. We propose a multiscale method that accounts for…

Determination of design parameters based on electromagnetic simulations of microwave circuits is an iterative and often time-consuming procedure. Space mapping is a powerful technique to optimize such complex models by efficiently…

Other Computer Science · Computer Science 2010-04-27 Saeed Tavakoli , Mahdieh Zeinadini , Shahram Mohanna

Since its foundations, more than one hundred years ago, the field of structural biology has strived to understand and analyze the properties of molecules and their interactions by studying the structure that they take in 3D space. However,…

Biomolecules · Quantitative Biology 2023-02-27 Gabriele Corso

This work is concerned with the dynamics of a slow-fast stochastic evolutionary system quantified with a scale parameter. An invariant foliation decomposes the state space into geometric regions of different dynamical regimes, and thus…

Analysis of PDEs · Mathematics 2013-11-04 Guanggan Chen , Jinqiao Duan , Jian Zhang

Procedural material models have been gaining traction in many applications thanks to their flexibility, compactness, and easy editability. We explore the inverse rendering problem of procedural material parameter estimation from…

Graphics · Computer Science 2025-04-22 Yu Guo , Milos Hasan , Lingqi Yan , Shuang Zhao

High-throughput computational materials design promises to greatly accelerate the process of discovering new materials and compounds, and of optimizing their properties. The large databases of structures and properties that result from…

Chemical Physics · Physics 2016-11-22 Sandip De , Felix Musil , Teresa Ingram , Carsten Baldauf , Michele Ceriotti

Phase-field modeling is an elegant and versatile computation tool to predict microstructure evolution in materials in the mesoscale regime. However, these simulations require rigorous numerical solutions of differential equations, which are…

Materials Science · Physics 2023-08-08 Owais Ahmad , Naveen Kumar , Rajdip Mukherjee , Somnath Bhowmick

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…

The Manifold Hypothesis is a widely accepted tenet of Machine Learning which asserts that nominally high-dimensional data are in fact concentrated near a low-dimensional manifold, embedded in high-dimensional space. This phenomenon is…

Methodology · Statistics 2025-03-24 Nick Whiteley , Annie Gray , Patrick Rubin-Delanchy

This article combines shape optimization and homogenization techniques by looking for the optimal design of the microstructure in composite materials and of scaffolds. The development of materials with specific properties is of huge…

Optimization and Control · Mathematics 2019-07-16 Marc Dambrine , Helmut Harbrecht

A goal in the kinetic characterization of a macromolecular system is the description of its slow relaxation processes, involving (i) identification of the structural changes involved in these processes, and (ii) estimation of the rates or…

Chemical Physics · Physics 2015-06-15 Guillermo Perez-Hernandez , Fabian Paul , Toni Giorgino , Gianni de Fabritiis , Frank Noé

The evolution of interfaces is intrinsic to many physical processes ranging from cavitation in fluids to recrystallization in solids. Computational modeling of interface motion entails a number of challenges, many of which are related to…

Materials Science · Physics 2022-07-26 Erdem Eren , Brandon Runnels , Jeremy Mason

Understanding cellular trajectories via time-resolved single-cell transcriptomics is vital for studying development, regeneration, and disease. A key challenge is inferring continuous trajectories from discrete snapshots. Biological…

High-dimensional data are ubiquitous, with examples ranging from natural images to scientific datasets, and often reside near low-dimensional manifolds. Leveraging this geometric structure is vital for downstream tasks, including signal…

Machine Learning · Statistics 2025-06-24 Yihan Shen , Shiyu Wang , Arnaud Lamy , Mariam Avagyan , John Wright