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This work presents a fast and scalable approach for predicting surface stability and equilibrium crystal morphology in ionic materials using electrostatic analysis. The method constructs stoichiometric slab terminations and evaluates their…

Materials Science · Physics 2026-04-30 Sourav Baiju , Payam Kaghazchi

Forensic scientists are often criticised for the lack of quantitative support for the conclusions of their examinations. While scholars advocate for the use of a Bayes factor to quantify the weight of forensic evidence, it is often…

Any of two or more two-dimensional (2D) materials with similar properties can be alloyed into a new layered material, namely, 2D alloy. Individual monolayer in 2D alloys are kept together by Van der Waals interactions. The property of…

Materials Science · Physics 2015-12-22 Xiao-Fen Qiao , Xiao-Li Li , Xin Zhang , Wei Shi , Jiang-Bin Wu , Tao Chen , Ping-Heng Tan

In this study, we employ Graph Neural Networks (GNNs) to accelerate the discovery of novel 2D magnetic materials which have transformative potential in spintronics applications. Using data from the Materials Project database and the…

Disordered Systems and Neural Networks · Physics 2024-02-06 Ahmed Elrashidy , James Della-Giustina , Jia-An Yan

This paper tackles two key challenges: detecting small, dense, and overlapping objects (a major hurdle in computer vision) and improving the quality of noisy images, especially those encountered in industrial environments. [1, 2]. Our focus…

Computer Vision and Pattern Recognition · Computer Science 2025-09-04 Oussama Messai , Abbass Zein-Eddine , Abdelouahid Bentamou , Mickaël Picq , Nicolas Duquesne , Stéphane Puydarrieux , Yann Gavet

The material characterization of ultra-thin solid sheets, including two-dimensional materials like graphene, is often performed through indentation tests on a flake suspended over a hole in a substrate. While this `suspended indentation' is…

Materials Science · Physics 2020-09-03 Thomas G. J. Chandler , Dominic Vella

High-dimensional data classification is a fundamental task in machine learning and imaging science. In this paper, we propose a two-stage multiphase semi-supervised classification method for classifying high-dimensional data and…

Numerical Analysis · Mathematics 2019-05-22 Xiaohao Cai , Raymond Chan , Xiaoyu Xie , Tieyong Zeng

Empowered by deep learning, recent methods for material capture can estimate a spatially-varying reflectance from a single photograph. Such lightweight capture is in stark contrast with the tens or hundreds of pictures required by…

Graphics · Computer Science 2019-06-28 Valentin Deschaintre , Miika Aittala , Fredo Durand , George Drettakis , Adrien Bousseau

The use of machine learning algorithms is an attractive way to produce very fast detector simulations for scattering reactions that can otherwise be computationally expensive. Here we develop a factorised approach where we deal with each…

Data Analysis, Statistics and Probability · Physics 2022-07-26 D. Darulis , R. Tyson , D. G. Ireland , D. I. Glazier , B. McKinnon , P. Pauli

Artificial intelligence (AI) and machine learning (ML) models in materials science are predominantly trained on ideal bulk crystals, limiting their transferability to real-world applications where surfaces, interfaces, and defects dominate.…

Materials Science · Physics 2026-03-31 Vsevolod Biryukov , Kamal Choudhary , Timur Bazhirov

Procedural material models have been gaining traction in many applications thanks to their flexibility, compactness, and easy editability. We explore the inverse rendering problem of procedural material parameter estimation from…

Graphics · Computer Science 2025-04-22 Yu Guo , Milos Hasan , Lingqi Yan , Shuang Zhao

Tactile perception is crucial for embodied intelligent robots to recognize objects. Vision-based tactile sensors extract object physical attributes multidimensionally using high spatial resolution; however, this process generates abundant…

Robotics · Computer Science 2025-10-15 Muxing Huang , Zibin Chen , Weiliang Xu , Zilan Li , Yuanzhi Zhou , Guoyuan Zhou , Wenjing Chen , Xinming Li

Realistic microscale domains are an essential step towards making modern multiscale simulations more applicable to computational materials engineering. For this purpose, 3D computed tomography scans can be very expensive or technically…

The ability to automatically discover interpretable mathematical models from data could forever change how we model soft matter systems. For convex discovery problems with a unique global minimum, model discovery is well-established. It…

Soft Condensed Matter · Physics 2024-04-11 Kevin Linka , Ellen Kuhl

Despite the potential the ability to identify granular materials creates for applications such as robotic cooking or earthmoving, granular material identification remains a challenging area, existing methods mostly relying on shaking the…

Robotics · Computer Science 2025-11-05 Samuli Hynninen , Tran Nguyen Le , Ville Kyrki

Two-dimensional (2D) materials are promising candidates for next-generation spintronic devices due to their tunable properties and potential for efficient spin-charge interconversion. However, discovering materials with intrinsically high…

Materials Science · Physics 2025-12-25 Abhijeet J. Kale , Sanjeev S. Navaratna , Pratik Sahu , Henry Chan , B. R. K. Nanda , Rohit Batra

Manual modeling of material parameters and 3D geometry is a time consuming yet essential task in the gaming and film industries. While recent advances in 3D reconstruction have enabled accurate approximations of scene geometry and…

Computer Vision and Pattern Recognition · Computer Science 2025-12-23 Philipp Langsteiner , Jan-Niklas Dihlmann , Hendrik P. A. Lensch

Nowadays, 2D barcodes have been widely used for advertisement, mobile payment, and product authentication. However, in applications related to product authentication, an authentic 2D barcode can be illegally copied and attached to a…

Computer Vision and Pattern Recognition · Computer Science 2022-05-24 Anselmo Ferreira , Changcheng Chen , Mauro Barni

The classical method of determining the atomic structure of complex molecules by analyzing diffraction patterns is currently undergoing drastic developments. Modern techniques for producing extremely bright and coherent X-ray lasers allow a…

Biomolecules · Quantitative Biology 2015-10-12 Tomas Ekeberg , Stefan Engblom , Jing Liu

Optimal extraction is a key step in processing the raw images of spectra as registered by two-dimensional detector arrays to a one-dimensional format. Previously reported algorithms reconstruct models for a mean one-dimensional spatial…

Instrumentation and Methods for Astrophysics · Physics 2015-06-18 M. Zechmeister , G. Anglada-Escudé , A. Reiners