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High-throughput data generation methods and machine learning (ML) algorithms have given rise to a new era of computational materials science by learning relationships among composition, structure, and properties and by exploiting such…

The integration of machine learning and robotics into thin film deposition is transforming material discovery and optimization. However, challenges remain in achieving a fully autonomous cycle of deposition, characterization, and…

Materials Science · Physics 2026-02-24 Yuanlong Zheng , Connor Blake , Layla Mravac , Fengxue Zhang , Yuxin Chen , Shuolong Yang

In this paper, we advocate the adoption of metric preservation as a powerful prior for learning latent representations of deformable 3D shapes. Key to our construction is the introduction of a geometric distortion criterion, defined…

Machine Learning · Computer Science 2020-12-14 Luca Cosmo , Antonio Norelli , Oshri Halimi , Ron Kimmel , Emanuele Rodolà

We estimate the spatial distribution of heterogeneous physical parameters involved in the formation of magnetic domain patterns of polycrystalline thin films by using convolutional neural networks. We propose a method to obtain a spatial…

Materials Science · Physics 2023-11-03 Naoya Mamada , Masaichiro Mizumaki , Ichiro Akai , Toru Aonishi

Multi-technique high resolution X-ray mapping enhanced by the recent advent of 4th generation synchrotron facilities can produce colossal datasets, challenging traditional analysis methods. Such difficulty is clearly materialized when…

Predicting the properties of a material from the arrangement of its atoms is a fundamental goal in materials science. While machine learning has emerged in recent years as a new paradigm to provide rapid predictions of materials properties,…

Materials Science · Physics 2021-01-29 Chi Chen , Yunxing Zuo , Weike Ye , Xiangguo Li , Shyue Ping Ong

We address the problem of merging graph and feature-space information while learning a metric from structured data. Existing algorithms tackle the problem in an asymmetric way, by either extracting vectorized summaries of the graph…

Machine Learning · Computer Science 2020-02-17 Nicolo Colombo

The optimization along the chain processing-structure-properties-performance is one of the core objectives in data-driven materials science. In this sense, processes are supposed to manufacture workpieces with targeted material…

Materials Science · Physics 2022-03-24 Tarek Iraki , Lukas Morand , Johannes Dornheim , Norbert Link , Dirk Helm

Honeycomb-like microstructures have been shown to exhibit local elastic buckling under compression, with three possible geometric buckling modes, or pattern transformations. The individual pattern transformations, and consequently also…

Soft Condensed Matter · Physics 2020-04-14 O. Rokoš , M. M. Ameen , R. H. J. Peerlings , M. G. D. Geers

Coupling of physics across length and time scales plays an important role in the response of microstructured materials to external loads. In a multi-scale framework, unresolved (subgrid) meso-scale dynamics is upscaled to the homogenized…

We present a new approach for representing and reconstructing multidimensional magnetic resonance imaging (MRI) data. Our method builds on a novel, learned feature-based image representation that disentangles different types of features,…

Image and Video Processing · Electrical Eng. & Systems 2026-01-01 Ruiyang Zhao , Fan Lam

Crystal property prediction, governed by quantum mechanical principles, is computationally prohibitive to solve exactly for large many-body systems using traditional density functional theory. While machine learning models have emerged as…

Materials Science · Physics 2026-01-28 Bin Cao , Yang Liu , Longhan Zhang , Yifan Wu , Zhixun Li , Yuyu Luo , Hong Cheng , Yang Ren , Tong-Yi Zhang

Understanding and predicting microstructure evolution is fundamental to materials science, as it governs the resulting properties and performance of materials. Traditional simulation methods, such as phase-field models, offer high-fidelity…

Machine Learning · Computer Science 2026-02-24 Michael Trimboli , Mohammed Alsubaie , Sirani M. Perera , Ke-Gang Wang , Xianqi Li

The adoption of machine learning in materials science has rapidly transformed materials property prediction. Hurdles limiting full capitalization of recent advancements in machine learning include the limited development of methods to learn…

Machine Learning · Computer Science 2024-06-12 Shufeng Kong , Dan Guevarra , Carla P. Gomes , John M. Gregoire

We apply recent advances in machine learning and computer vision to a central problem in materials informatics: The statistical representation of microstructural images. We use activations in a pre-trained convolutional neural network to…

Computational Physics · Physics 2018-12-04 Nicholas Lubbers , Turab Lookman , Kipton Barros

We present a scalable and efficient framework for the inference of spatially-varying parameters of continuum materials from image observations of their deformations. Our goal is the nondestructive identification of arbitrary damage,…

Numerical Analysis · Mathematics 2024-08-21 Joseph Kirchhoff , Dingcheng Luo , Thomas O'Leary-Roseberry , Omar Ghattas

Determining material properties from camera images can expand the ability to identify complex objects in indoor environments, which is valuable for consumer robotics applications. To support this, we introduce MatPredict, a dataset that…

Computer Vision and Pattern Recognition · Computer Science 2025-05-20 Yuzhen Chen , Hojun Son , Arpan Kusari

Few-shot segmentation models excel in metal defect detection due to their rapid generalization ability to new classes and pixel-level segmentation, rendering them ideal for addressing data scarcity issues and achieving refined object…

Computer Vision and Pattern Recognition · Computer Science 2024-03-19 Hanze Ding , Zhangkai Wu , Jiyan Zhang , Ming Ping , Yanfang Liu

Machine learning has been applied to the problem of X-ray diffraction phase prediction with promising results. In this paper, we describe a method for using machine learning to predict crystal structure phases from X-ray diffraction data of…

Materials Science · Physics 2023-05-26 Maksim Zhdanov , Andrey Zhdanov

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