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Neutron reflectometry is a critical tool for investigating the structure of thin films and interfaces. However, the misapplication of the Born approximation to reflection geometry leads some to assume that the minimum thickness that may be…

Soft Condensed Matter · Physics 2024-03-21 Nicolas Shiaelis , Luke A. Clifton , Andrew R. McCluskey

When designing materials to optimize certain properties, there are often many possible configurations of designs that need to be explored. For example, the materials' composition of elements will affect properties such as strength or…

Machine Learning · Computer Science 2025-03-20 Shaan Pakala , Dawon Ahn , Evangelos Papalexakis

The development of science-based categorization strategies for regulatory purposes is not a simple task. It requires understanding the needs and capacity of a wide variety of stakeholders and should consider the potential risks and…

Materials Science · Physics 2021-01-12 Scott C. Brown

We present a novel method for characterizing the microstructure of a material from volumetric datasets such as 3D image data from computed tomography (CT). The method is based on a new statistical model for the distribution of voxel…

Materials Science · Physics 2021-01-06 Elise Otterlei Brenne , Vedrana Andersen Dahl , Peter Stanley Jørgensen

Dielectric structures composed of many inclusions that manipulate light in ways the bulk materials cannot are commonly seen in the field of metamaterials. In these structures, each inclusion depends on a set of parameters such as location…

Computational Physics · Physics 2019-03-05 Boaz Blankrot , Clemens Heitzinger

A common representation of a three dimensional object in computer applications, such as graphics and design, is in the form of a triangular mesh. In many instances, individual or groups of triangles in such representation need to satisfy…

Optimization and Control · Mathematics 2019-04-08 Valentin R. Koch , Hung M. Phan

This paper addresses problems on the structural design of control systems taking explicitly into consideration the possible application to large-scale systems. We provide an efficient and unified framework to solve the following major…

Optimization and Control · Mathematics 2014-09-23 Sergio Pequito , Soummya Kar , A. Pedro Aguiar

We develop a representation theory of categories as a means to explore characteristic structures in algebra. Characteristic structures play a critical role in isomorphism testing of groups and algebras, and their construction and…

Group Theory · Mathematics 2025-11-20 Peter A. Brooksbank , Heiko Dietrich , Joshua Maglione , E. A. O'Brien , James B. Wilson

Predicting the physico-chemical properties of pure substances and mixtures is a central task in thermodynamics. Established prediction methods range from fully physics-based ab-initio calculations, which are only feasible for very simple…

Machine Learning · Computer Science 2024-12-02 Johannes Zenn , Dominik Gond , Fabian Jirasek , Robert Bamler

Recovering an unknown but structured signal from its measurements is a challenging problem with significant applications in fields such as imaging restoration, wireless communications, and signal processing. In this paper, we consider the…

Information Theory · Computer Science 2026-01-09 Yijun Zhong , Yi Shen

We introduce a uniform representation of general objects that captures the regularities with respect to their structure. It allows a representation of a general class of objects including geometric patterns and images in a sparse, modular,…

Computational Complexity · Computer Science 2008-06-12 Hiroshi Ishikawa

Maximizing the precision in estimating parameters in a quantum system subject to instrumentation constraints is cast as a convex optimization problem. We account for prior knowledge about the parameter range by developing a worst-case and…

Quantum Physics · Physics 2008-04-01 Robert L. Kosut

The dynamics of anisotropic particles are dictated by forces and torques that can be challenging to mathematically represent in computer simulations. Several data-driven approaches have been developed to approximate these interactions, but…

Soft Condensed Matter · Physics 2025-12-19 Mohammadreza Fakhraei , Michaela Bush , Chris A. Kieslich , Michael P. Howard

The visual world is vast and varied, but its variations divide into structured and unstructured factors. We compose free-form filters and structured Gaussian filters, optimized end-to-end, to factorize deep representations and learn both…

Computer Vision and Pattern Recognition · Computer Science 2019-04-26 Evan Shelhamer , Dequan Wang , Trevor Darrell

An important new trend in additive manufacturing is the use of optimization to automatically design industrial objects, such as beams, rudders or wings. Topology optimization, as it is often called, computes the best configuration of…

Finding an optimal match between two different crystal structures underpins many important materials science problems, including describing solid-solid phase transitions, developing models for interface and grain boundary structures. In…

Materials Science · Physics 2020-02-21 Félix Therrien , Peter Graf , Vladan Stevanović

The architecture of mechanical metamaterialsis designed to harness geometry, non-linearity and topology to obtain advanced functionalities such as shape morphing, programmability and one-way propagation. While a purely geometric framework…

Soft Condensed Matter · Physics 2018-02-14 Corentin Coulais , Chris Kettenis , Martin van Hecke

We propose a novel method of introducing structure into existing machine learning techniques by developing structure-based similarity and distance measures. To learn structural information, low-dimensional structure of the data is captured…

Machine Learning · Statistics 2011-10-27 Joseph Wang , Venkatesh Saligrama , David A. Castañón

Atomistic simulations have become a powerful tool in materials research due to the extremely fine spatial and temporal resolution provided by such techniques. In order to understand the fundamental principles which govern material behavior…

Materials Science · Physics 2014-08-26 Jason F. Panzarino , Timothy J. Rupert

Combinatorial problems arising in puzzles, origami, and (meta)material design have rare sets of solutions, which define complex and sharply delineated boundaries in configuration space. These boundaries are difficult to capture with…

Soft Condensed Matter · Physics 2023-12-21 Ryan van Mastrigt , Marjolein Dijkstra , Martin van Hecke , Corentin Coulais
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