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In this study, we propose a novel microstructure-sensitive Bayesian optimization (BO) framework designed to enhance the efficiency of materials discovery by explicitly incorporating microstructural information. Traditional materials design…

Materials Science · Physics 2025-02-07 Danial Khatamsaz , Vahid Attari , Raymundo Arroyave

Optimal designs minimize the number of experimental runs (samples) needed to accurately estimate model parameters, resulting in algorithms that, for instance, efficiently minimize parameter estimate variance. Governed by knowledge of past…

Methodology · Statistics 2023-02-03 Nicholas W. Barendregt , Emily G. Webb , Zachary P. Kilpatrick

A topology optimization method is presented for the design of periodic microstructured materials with prescribed homogenized nonlinear constitutive properties over finite strain ranges. The mechanical model assumes linear elastic isotropic…

Computational Engineering, Finance, and Science · Computer Science 2020-05-20 Reza Behrou , Maroun Abi Ghanem , Brianna C. Macnider , Vimarsh Verma , Ryan Alvey , Jinho Hong , Ashley F. Emery , Hyunsun Alicia Kim , Nicholas Boechler

The brain may adopt the strategy of lateral predictive coding (LPC) to construct optimal internal representations for salient features in input sensory signals, reducing the energetic cost of information transmission. Here we first consider…

Neurons and Cognition · Quantitative Biology 2025-09-04 Zhen-Ye Huang , Weikang Wang , Hai-Jun Zhou

The heterogeneous micromechanical properties of biological tissues have profound implications across diverse medical and engineering domains. However, identifying full-field heterogeneous elastic properties of soft materials using…

Numerical Analysis · Mathematics 2025-07-09 Wensi Wu , Mitchell Daneker , Kevin T. Turner , Matthew A. Jolley , Lu Lu

Adhesive joints are increasingly used in industry for a wide variety of applications because of their favorable characteristics such as high strength-to-weight ratio, design flexibility, limited stress concentrations, planar force transfer,…

Modern approaches to perform Bayesian variable selection rely mostly on the use of shrinkage priors. That said, an ideal shrinkage prior should be adaptive to different signal levels, ensuring that small effects are ruled out, while keeping…

Methodology · Statistics 2024-11-14 Santiago Marin , Bronwyn Loong , Anton H. Westveld

We present a computational design methodology for topology optimization of multi-material-based flexoelectric composites. The methodology extends our recently proposed design methodology for a single flexoelectric material. We adopt the…

Computational Physics · Physics 2019-01-31 Hamid Ghasemi , Harold S. Park , Timon Rabczuk

Data and knowledge representation are fundamental concepts in machine learning. The quality of the representation impacts the performance of the learning model directly. Feature learning transforms or enhances raw data to structures that…

Artificial Intelligence · Computer Science 2021-04-26 Filipe Alves Neto Verri , Renato Tinós , Liang Zhao

Neuromorphic computing hardware enables edge computing and can be implemented in flexible electronics for novel applications. Metal oxide materials are promising candidates for fabricating flexible neuromorphic electronics, but suffer from…

Emerging Technologies · Computer Science 2026-04-08 Benius Dunn , Javier Meza-Arroyo , Armi Tiihonen , Mark Lee , Julia W. P. Hsu

Data-driven materials design often encounters challenges where systems require or possess qualitative (categorical) information. Metal-organic frameworks (MOFs) are an example of such material systems. The representation of MOFs through…

Materials Science · Physics 2023-11-16 Yigitcan Comlek , Thang Duc Pham , Randall Snurr , Wei Chen

This work presents a scalable computational framework for optimal design under uncertainty with application to multi-material insulation components of building envelopes. The forward model consists of a multi-phase thermo-mechanical model…

Optimization and Control · Mathematics 2023-04-20 Jingye Tan , Danial Faghihi

In the pursuit of designing safer and more efficient energy-absorbing structures, engineers must tackle the challenge of improving crush performance while balancing multiple conflicting objectives, such as maximising energy absorption and…

Materials Science · Physics 2025-02-25 Hirak Kansara , Siamak F. Khosroshahi , Leo Guo , Miguel A. Bessa , Wei Tan

Electron and scanning probe microscopy produce vast amounts of data in the form of images or hyperspectral data, such as EELS or 4D STEM, that contain information on a wide range of structural, physical, and chemical properties of…

Machine Learning · Computer Science 2023-06-09 Arpan Biswas , Maxim Ziatdinov , Sergei V. Kalinin

The brain interprets ambiguous sensory information faster and more reliably than modern computers, using neurons that are slower and less reliable than logic gates. But Bayesian inference, which underpins many computational models of…

Artificial Intelligence · Computer Science 2014-02-21 Vikash Mansinghka , Eric Jonas

The prediction of crack initiation and propagation in ductile failure processes are challenging tasks for the design and fabrication of metallic materials and structures on a large scale. Numerical aspects of ductile failure dictate a…

Numerical Analysis · Mathematics 2021-04-23 Nima Noii , Amirreza Khodadadian , Jacinto Ulloa , Fadi Aldakheel , Thomas Wick , Stijn Francois , Peter Wriggers

Evolution in time-varying environments naturally leads to adaptable biological systems that can easily switch functionalities. Advances in the synthesis of environmentally-responsive materials therefore open up the possibility of creating a…

This study presents a novel optimisation technique for atomic structure calculations using the Flexible Atomic Code, focussing on complex multielectron systems relevant to $r$-process nucleosynthesis and kilonova modelling. We introduce a…

Design of printed circuit board (PCB) stack-up requires the consideration of characteristic impedance, insertion loss and crosstalk. As there are many parameters in a PCB stack-up design, the optimization of these parameters needs to be…

Other Statistics · Statistics 2019-11-12 Jiayi He , Aravind Sampath Kumar , Arun Chada , Bhyrav Mutnury , James Drewniak

Automotive companies are increasingly looking for ways to make their products lighter, using novel materials and novel bonding processes to join these materials together. Finding the optimal process parameters for such adhesive bonding…