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Optical materials with special optical properties are widely used in a broad span of technologies, from computer displays to solar energy utilization leading to large dataset accumulated from years of extensive materials synthesis and…

材料科学 · 物理学 2020-11-26 Rongzhi Dong , Yabo Dan , Xiang Li , Jianjun Hu

On-demand vibration mitigation in a mechanical system needs the suitable design of multiscale metastructures, involving complex unit cells. In this study, immersing in the world of patterns and examining the structural details of some…

Bayesian optimization (BO) has been broadly applied to computational expensive problems, but it is still challenging to extend BO to high dimensions. Existing works are usually under strict assumption of an additive or a linear embedding…

机器学习 · 计算机科学 2019-07-23 Miao Zhang , Huiqi Li , Steven Su

The demand for innovative synthetic polymers with improved properties is high, but their structural complexity and vast design space hinder rapid discovery. Machine learning-guided molecular design is a promising approach to accelerate…

软凝聚态物质 · 物理学 2024-10-07 Gabriel Vogel , Jana M. Weber

Surrogate model-based optimization has been increasingly used in the field of engineering design. It involves creating a surrogate model with objective functions or constraints based on the data obtained from simulations or real-world…

最优化与控制 · 数学 2023-08-28 Minyoung Jwa , Jihoon Kim , Seungyeon Shin , Ah-hyeon Jin , Dongju Shin , Namwoo Kang

Machine learning-based compact models provide a rapid and efficient approach for estimating device behavior across multiple input parameter variations. In this study, we introduce two reverse-design algorithms that utilize these compact…

新兴技术 · 计算机科学 2025-08-29 Diego Ferrer , Jack Hutchins , Revanth Koduru , Sumeet Kumar Gupta , Admedullah Aziz

An ultimate goal of materials science is to deliver materials with desired properties at will. In the theoretical study, a standard approach consists of constructing a Hamiltonian based on phenomenology or first principles, calculating…

强关联电子 · 物理学 2023-03-24 Koji Inui , Yukitoshi Motome

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…

计算物理 · 物理学 2025-07-25 Mohammad Saber Hashemi , Masoud Safdari , Azadeh Sheidaei

In recent years, there has been a growing interest in accelerated materials innovation in the context of the process-structure-property chain. In this regard, it is essential to take into account manufacturing processes and tailor materials…

材料科学 · 物理学 2024-11-12 Lukas Morand , Tarek Iraki , Johannes Dornheim , Stefan Sandfeld , Norbert Link , Dirk Helm

Designing physical artifacts that serve a purpose - such as tools and other functional structures - is central to engineering as well as everyday human behavior. Though automating design has tremendous promise, general-purpose methods do…

Inverse design (ID) is a computational method that systematically explores a design space to find optimal device geometries based on specific performance criteria. In silicon photonics, ID often leads to devices with design features that…

系统与控制 · 电气工程与系统科学 2024-10-11 Shaheer Khan , Mustafa Hammood , Nicolas A. F. Jaeger , Lukas Chrostowski

Inverse design, the process of matching a device or process parameters to exhibit a desired performance, is applied in many disciplines ranging from material design over chemical processes and to engineering. Machine learning has emerged as…

机器学习 · 计算机科学 2022-08-31 Michel Frising , Jorge Bravo-Abad , Ferry Prins

Microstructural materials design is one of the most important applications of inverse modeling in materials science. Generally speaking, there are two broad modeling paradigms in scientific applications: forward and inverse. While the…

机器学习 · 计算机科学 2021-01-27 Zijiang Yang , Dipendra Jha , Arindam Paul , Wei-keng Liao , Alok Choudhary , Ankit Agrawal

The article considers the nonlinear inverse problem of identifying the material parameters in viscoelastic structures based on a generalized Maxwell model. The aim is to reconstruct the model parameters from stress data acquired from a…

数值分析 · 数学 2025-03-18 Rebecca Rothermel , Thomas Schuster

Inverse design represents a paradigm shift in the development of nanophotonic devices, where optimal geometries and materials are discovered by an algorithm rather than symmetry considerations or intuition. Here we present a very general…

量子物理 · 物理学 2020-04-29 Robert Bennett , Stefan Yoshi Buhmann

The field of magnonics offers a new type of low-power information processing, in which magnons, the quanta of spin waves, carry and process data instead of electrons. Many magnonic devices were demonstrated recently, but the development of…

应用物理 · 物理学 2021-06-09 Qi Wang , Andrii V. Chumak , Philipp Pirro

This paper is concerned with the numerical solution of model-based, Bayesian inverse problems. We are particularly interested in cases where the cost of each likelihood evaluation (forward-model call) is expensive and the number of un-…

统计计算 · 统计学 2016-07-25 Isabell M. Franck , P. S. Koutsourelakis

For many materials, macroscopic mechanical behavior is determined by an intricate microstructure. Understanding the relation between these two scales helps scientists and engineers design better materials. The relation which maps…

计算物理 · 物理学 2026-05-13 Arnaud Vadeboncoeur , Mark Girolami , Kaushik Bhattacharya , Andrew M. Stuart

In this work, geometry optimization of mechanical truss using computer-aided finite element analysis is presented. The shape of the truss is a dominant factor in determining the capacity of load it can bear. At a given parameter space, our…

应用统计 · 统计学 2023-07-04 Bhawani Sandeep , Surjeet Singh , Sumit Kumar

Materials design can be cast as an optimization problem with the goal of achieving desired properties, by varying material composition, microstructure morphology, and processing conditions. Existence of both qualitative and quantitative…