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Materials informatics offers a promising pathway towards rational materials design, replacing the current trial-and-error approach and accelerating the development of new functional materials. Through the use of sophisticated data analysis…

Materials Science · Physics 2018-05-17 Cormac Toher , Corey Oses , Stefano Curtarolo

Due to the complexity of modeling the elastic properties of materials, the use of machine learning algorithms is continuously increasing for tactile sensing applications. Recent advances in deep neural networks applied to computer vision…

Robotics · Computer Science 2020-06-05 Carmelo Sferrazza , Raffaello D'Andrea

The effectiveness and efficiency of machine learning methodologies are crucial, especially with respect to the quality of results and computational cost. This paper discusses different model optimization techniques, providing a…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-05-30 Marcin Lawenda , Kyrylo Khloponin , Krzesimir Samborski , Łukasz Szustak

Fatigue properties of additively manufactured (AM) materials depend on many factors such as AM processing parameter, microstructure, residual stress, surface roughness, porosities, post-treatments, etc. Their evaluation inevitably requires…

Materials Science · Physics 2023-04-25 Min Yi , Ming Xue , Peihong Cong , Yang Song , Haiyang Zhang , Lingfeng Wang , Liucheng Zhou , Yinghong Li , Wanlin Guo

The use of machine learning (ML) techniques has allowed rapid advancements in many scientific and engineering fields. One of these problems is that of surface soil taxonomy, a research area previously hindered by the reliance on…

Machine Learning · Computer Science 2026-04-24 Haley Dozier , Althea Henslee , Ashley Abraham , Andrew Strelzoff , Mark Chappell

The influence of material characteristics - i.e., type or surface texture - to wetting properties is nowadays increased by the implementation of ultrafast lasers for nanostructuring. In this account, we exposed multilayer thin metal film…

Hyperspectral sensors enable the study of the chemical properties of scene materials remotely for the purpose of identification, detection, and chemical composition analysis of objects in the environment. Hence, hyperspectral images…

Computer Vision and Pattern Recognition · Computer Science 2019-02-12 Utsav B. Gewali , Sildomar T. Monteiro , Eli Saber

Potential Energy Surfaces (PESs) are an indispensable tool to investigate, characterise and understand chemical and biological systems in the gas and condensed phases. Advances in Machine Learning (ML) methodologies have led to the…

Chemical Physics · Physics 2025-11-04 Valerii Andreichev , Sena Aydin , Kai Töpfer , Markus Meuwly , Luis Itza Vazquez-Salazar

Machine learning (ML) is shown to predict new alloys and their performances in a high dimensional, multiple-target-property design space that considers chemistry, multi-step processing routes, and characterization methodology variations. A…

Materials Science · Physics 2020-10-12 Sen Liu , Branden B. Kappes , Behnam Amin-ahmadi , Othmane Benafan , Xiaoli Zhang , Aaron P. Stebner

Picosecond laser pulses have been used as a surface colouring technique for noble metals, where the colours result from plasmonic resonances in the metallic nanoparticles created and redeposited on the surface by ablation and deposition…

Machine learning (ML) accelerates the exploration of material properties and their links to the structure of the underlying molecules. In previous work [J. Shi, M. J. Quevillon, P. H. A. Valen\c{c}a, and J. K. Whitmer, \textit{ACS Appl.…

Soft Condensed Matter · Physics 2023-01-06 Jiale Shi , Fahed Albreiki , Yamil J. Colón , Samanvaya Srivastava , Jonathan K. Whitmer

Pooling layers (e.g., max and average) may overlook important information encoded in the spatial arrangement of pixel intensity and/or feature values. We propose a novel lacunarity pooling layer that aims to capture the spatial…

Computer Vision and Pattern Recognition · Computer Science 2024-07-09 Akshatha Mohan , Joshua Peeples

Surface parameterization is a fundamental concept in fields such as differential geometry and computer graphics. It involves mapping a surface in three-dimensional space onto a two-dimensional parameter space. This process allows for the…

Numerical Analysis · Mathematics 2024-12-16 Shu-Yung Liu , Mei-Heng Yueh

This paper illustrates an application of machine learning (ML) within a complex system that performs grade estimation. In surface mining, assay measurements taken from production drilling often provide useful information that allows…

Geophysics · Physics 2021-09-15 Raymond Leung , Mehala Balamurali , Alexander Lowe

A class of algorithms for the solution of discrete material optimization problems in electromagnetic applications is discussed. The idea behind the algorithm is similar to that of the sequential programming. However, in each major iteration…

Optimization and Control · Mathematics 2017-07-14 Johannes Semmler , Lukas Pflug , Michael Stingl

The structural characterization is an essential task in the study of porous materials. To achieve reliable results, it requires to evaluate images with hundreds of pores. Current methods require large time amounts and are subjected to human…

Soft Condensed Matter · Physics 2025-02-12 Jorge Torre , Suset Barroso-Solares , M. A. Rodríguez-Pérez , Javier Pinto

Automated per-instance algorithm selection and configuration have shown promising performances for a number of classic optimization problems, including satisfiability, AI planning, and TSP. The techniques often rely on a set of features…

Neural and Evolutionary Computing · Computer Science 2020-10-01 Tome Eftimov , Gorjan Popovski , Quentin Renau , Peter Korosec , Carola Doerr

Over the past decade inter-atomic potentials based on machine-learning (ML) techniques have become an indispensable tool in the atomic-scale modeling of materials. Trained on energies and forces obtained from electronic-structure…

Materials Science · Physics 2022-08-15 Michele Ceriotti

The success of machine learning algorithms generally depends on data representation, and we hypothesize that this is because different representations can entangle and hide more or less the different explanatory factors of variation behind…

Machine Learning · Computer Science 2014-04-24 Yoshua Bengio , Aaron Courville , Pascal Vincent

Recent advances in 3D deep learning have shown that it is possible to train highly effective deep models for 3D shape generation, directly from 2D images. This is particularly interesting since the availability of 3D models is still limited…

Computer Vision and Pattern Recognition · Computer Science 2019-11-05 Shichen Liu , Shunsuke Saito , Weikai Chen , Hao Li