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Over the recent years, there has been an extensive adoption of Machine Learning (ML) in a plethora of real-world applications, ranging from computer vision to data mining and drug discovery. In this paper, we utilize ML to facilitate…

Materials Science · Physics 2022-02-10 Ayush Arunachalam , S. Novia Berriel , Parag Banerjee , Kanad Basu

Machine Learning (ML) and Deep Learning (DL) based framework have evolved rapidly and generated considerable interests for predicting the properties of materials. In this work, we utilize ML-DL framework to predict the electrochemical…

In situ reflective high-energy electron diffraction (RHEED) is widely used to monitor the surface crystalline state during thin-film growth by molecular beam epitaxy (MBE) and pulsed laser deposition. With the recent development of machine…

Self-driving labs (SDLs), employing automation and machine learning (ML) to accelerate experimental procedures, have enormous potential in the discovery of new materials. However, in thin film science, SDLs are mainly restricted to…

Machine Learning · Computer Science 2026-01-12 Sanna Jarl , Jens Sjölund , Robert J. W. Frost , Anders Holst , Jonathan J. S. Scragg

As a critical component of coherent X-ray diffraction imaging (CDI), phase retrieval has been extensively applied in X-ray structural science to recover the 3D morphological information inside measured particles. Despite meeting all the…

Image and Video Processing · Electrical Eng. & Systems 2021-10-29 Longlong Wu , Shinjae Yoo , Ana F. Suzana , Tadesse A. Assefa , Jiecheng Diao , Ross J. Harder , Wonsuk Cha , Ian K. Robinson

Materials synthesis platforms that are designed for autonomous experimentation are capable of collecting multimodal diagnostic data that can be utilized for feedback to optimize material properties. Pulsed laser deposition (PLD) is emerging…

Materials Science · Physics 2024-11-01 Sumner B. Harris , Christopher M. Rouleau , Kai Xiao , Rama K. Vasudevan

We explore the application of computer vision and machine learning (ML) techniques to predict material properties (e.g. compressive strength) based on SEM images. We show that it's possible to train ML models to predict materials…

Recent studies show that deep learning (DL) based MRI reconstruction outperforms conventional methods, such as parallel imaging and compressed sensing (CS), in multiple applications. Unlike CS that is typically implemented with…

Image and Video Processing · Electrical Eng. & Systems 2022-08-22 Hongyi Gu , Burhaneddin Yaman , Steen Moeller , Il Yong Chun , Mehmet Akçakaya

Synthesis of advanced inorganic materials with minimum number of trials is of paramount importance towards the acceleration of inorganic materials development. The enormous complexity involved in existing multi-variable synthesis methods…

Materials Science · Physics 2020-11-02 Bijun Tang , Yuhao Lu , Jiadong Zhou , Han Wang , Prafful Golani , Manzhang Xu , Quan Xu , Cuntai Guan , Zheng Liu

The integration of machine learning (ML) models enhances the efficiency, affordability, and reliability of feature detection in microscopy, yet their development and applicability are hindered by the dependency on scarce and often flawed…

Computer Vision and Pattern Recognition · Computer Science 2025-09-04 Matthew J. Lynch , Ryan Jacobs , Gabriella Bruno , Priyam Patki , Dane Morgan , Kevin G. Field

Automation and high-throughput characterization and synthesis for material development are becoming increasingly common; these approaches require machine learning (ML) tools to assess material properties, ideally based on a single…

Materials Science · Physics 2025-12-17 Frank M. Abel , Paige Burke , Daniel Wines , Brian Donovan , Michelle E. Jamer , Kamal Choudhary

Deep learning (DL) models for disease classification or segmentation from medical images are increasingly trained using transfer learning (TL) from unrelated natural world images. However, shortcomings and utility of TL for specialized…

Machine Learning · Statistics 2021-11-11 Sambuddha Ghosal , Pratik Shah

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

Electron microscopy is widely used to explore defects in crystal structures, but human detecting of defects is often time-consuming, error-prone, and unreliable, and is not scalable to large numbers of images or real-time analysis. In this…

Functional properties of transition-metal oxides strongly depend on crystallographic defects. In transition-metal-oxide electrocatalysts such as SrIrO3 (SIO), crystallographic lattice deviations can affect ionic diffusion and adsorbate…

Accurate grain orientation mapping is essential for understanding and optimizing the performance of polycrystalline materials, particularly in energy-related applications. Lithium nickel oxide (LiNiO$_{2}$) is a promising cathode material…

Disordered Systems and Neural Networks · Physics 2025-11-26 Sebastian Wissel , Jonas Scheunert , Aaron Dextre , Shamail Ahmed , Andreas Bayer , Kerstin Volz , Bai-Xiang Xu

Machine learning (ML) methods are becoming integral to scientific inquiry in numerous disciplines, such as material sciences. In this manuscript, we demonstrate how ML can be used to predict several properties in solid-state chemistry, in…

Materials Science · Physics 2020-11-24 Jean-Claude Crivello , Nataliya Sokolovska , Jean-Marc Joubert

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…

Computational Physics · Physics 2025-07-25 Mohammad Saber Hashemi , Masoud Safdari , Azadeh Sheidaei

The revolution in materials in the past century was built on a knowledge of the atomic arrangements and the structure-property relationship. The sine qua non for obtaining quantitative structural information is single crystal…

Computational Physics · Physics 2023-12-27 Gabe Guo , Judah Goldfeder , Ling Lan , Aniv Ray , Albert Hanming Yang , Boyuan Chen , Simon JL Billinge , Hod Lipson

We present a novel deep learning (DL) approach to produce highly accurate predictions of macroscopic physical properties of solid solution binary alloys and magnetic systems. The major idea is to make use of the correlations between…

Computational Physics · Physics 2021-01-29 Massimiliano Lupo Pasini , Ying Wai Li , Junqi Yin , Jiaxin Zhang , Kipton Barros , Markus Eisenbach
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