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Automated experiments in 4D Scanning Transmission Electron Microscopy are implemented for rapid discovery of local structures, symmetry-breaking distortions, and internal electric and magnetic fields in complex materials. Deep kernel…

Materials Science · Physics 2022-04-22 Kevin M. Roccapriore , Ondrej Dyck , Mark P. Oxley , Maxim Ziatdinov , Sergei V. Kalinin

The current focus in Autonomous Experimentation (AE) is on developing robust workflows to conduct the AE effectively. This entails the need for well-defined approaches to guide the AE process, including strategies for hyperparameter tuning…

Machine Learning · Computer Science 2024-08-27 Boris N. Slautin , Yongtao Liu , Hiroshi Funakubo , Sergei V. Kalinin

Self-driving laboratories or autonomous experimentation are emerging as transformative platforms for accelerating scientific discovery. Bayesian optimization (BO) is among the most widely used machine learning frameworks for these purposes,…

Recent progress in machine learning methods, and the emerging availability of programmable interfaces for scanning probe microscopes (SPMs), have propelled automated and autonomous microscopies to the forefront of attention of the…

Materials Science · Physics 2022-08-22 Maxim Ziatdinov , Yongtao Liu , Kyle Kelley , Rama Vasudevan , Sergei V. Kalinin

Microscopy combined with local spectroscopy is widely used to correlate nanoscale structure with functional properties in materials, but conventional measurements rely heavily on human-selected sampling locations and predefined targets,…

Materials Science · Physics 2026-03-19 Jiawei Gong , Danqing Ma , Ralph Bulanadi , Robert Moore , Rama Vasudevan , Lianfeng Zhao , Yongtao Liu

The rapid development of computation power and machine learning algorithms has paved the way for automating scientific discovery with a scanning probe microscope (SPM). The key elements towards operationalization of automated SPM are the…

Physics-driven discovery in an autonomous experiment has emerged as a dream application of machine learning in physical sciences. Here we develop and experimentally implement a deep kernel learning workflow combining the correlative…

Materials Science · Physics 2022-11-24 Kevin M. Roccapriore , Sergei V. Kalinin , Maxim Ziatdinov

As vast databases of chemical identities become increasingly available, the challenge shifts to how we effectively explore and leverage these resources to study molecular properties. This paper presents an active learning approach for…

Machine Learning · Computer Science 2025-07-17 Ayana Ghosh , Maxim Ziatdinov , Sergei V. Kalinin

The broad adoption of machine learning (ML)-based automated and autonomous experiments (AE) in physical characterization and synthesis requires development of strategies for understanding and intervention in the experimental workflow. Here,…

Materials Science · Physics 2024-11-15 Yongtao Liu , Maxim Ziatdinov , Rama Vasudevan , Sergei V. Kalinin

Active learning methods are rapidly becoming the integral component of automated experiment workflows in imaging, materials synthesis, and computation. The distinctive aspect of many experimental scenarios is the presence of multiple…

Machine Learning · Computer Science 2022-03-22 Maxim Ziatdinov , Yongtao Liu , Sergei V. Kalinin

Modern automated microscopy faces a fundamental discovery challenge: in many systems, the most important scientific information does not reside in the immediately visible image features, but in the target space of sequentially acquired…

For over three decades, scanning probe microscopy (SPM) has been a key method for exploring material structures and functionalities at nanometer and often atomic scales in ambient, liquid, and vacuum environments. Historically, SPM…

Machine learning and artificial intelligence (ML/AI) are rapidly becoming an indispensable part of physics research, with domain applications ranging from theory and materials prediction to high-throughput data analysis. In parallel, the…

Scanning Transmission Electron Microscopy (STEM) coupled with Electron Energy Loss Spectroscopy (EELS) presents a powerful platform for detailed material characterization via rich imaging and spectroscopic data. Modern electron microscopes…

Instrumentation and Detectors · Physics 2024-06-18 Utkarsh Pratiush , Austin Houston , Sergei V Kalinin , Gerd Duscher

Rapidly determining structure-property correlations in materials is an important challenge in better understanding fundamental mechanisms and greatly assists in materials design. In microscopy, imaging data provides a direct measurement of…

Machine learning (ML) has become critical for post-acquisition data analysis in (scanning) transmission electron microscopy, (S)TEM, imaging and spectroscopy. An emerging trend is the transition to real-time analysis and closed-loop…

Scanning probe microscopy (SPM) is a valuable technique by which one can investigate the physical characteristics of the surfaces of materials. However, its widespread use is hampered by the time-consuming nature of running an experiment…

Instrumentation and Detectors · Physics 2025-09-03 Nicholas J. Sullivan , Julio J. Valdés , Kirk H. Bevan , Peter Grutter

Atomic arrangements and local sub-structures fundamentally influence emergent material functionalities. The local structures are conventionally probed using spatially resolved studies and the property correlations are usually deciphered by…

Materials Science · Physics 2024-04-11 Ganesh Narasimha , Dejia Kong , Paras Regmi , Rongying Jin , Zheng Gai , Rama Vasudevan , Maxim Ziatdinov

Autonomous experimentation has transformed microscopy and materials discovery by enabling closed-loop optimization including imaging and spectroscopy tuning, strucutre property relationship discovery, and exploration of combinatorial…

Materials Science · Physics 2026-05-11 Boris Slautin , Utkarsh Pratiush , Yu Liu , Kamyar Barakati , Sergei Kalinin

Scanning transmission electron microscopy (STEM) is now the primary tool for exploring functional materials on the atomic level. Often, features of interest are highly localized in specific regions in the material, such as ferroelectric…

Materials Science · Physics 2021-08-11 Nicole Creange , Ondrej Dyck , Rama K. Vasudevan , Maxim Ziatdinov , Sergei V. Kalinin
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