430 citations · 1.7k across the 114 of their papers we have counts for
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Autonomous convergence of STM control parameters using Bayesian Optimization
Ganesh Narasimha, Saban Hus, Arpan Biswas +2
Scanning Tunneling microscopy (STM) is a widely used tool for atomic imaging of novel materials and its surface energetics. However, the optimization of the imaging conditions is a…
Dynamic STEM-EELS for single atom and defect measurement during electron beam transformations
Kevin M. Roccapriore, Riccardo Torsi, Joshua Robinson +2
On- and off-axis electron energy loss spectroscopy (EELS) is a powerful method for probing local electronic structure on single atom level. However, many materials undergo electron…
When the atoms dance: exploring mechanisms of electron-beam induced modifications of materials with machine-learning assisted high temporal resolution electron microscopy
Matthew G. Boebinger, Ayana Ghosh, Kevin M. Roccapriore +6
Directed atomic fabrication using an aberration-corrected scanning transmission electron microscope (STEM) opens new pathways for atomic engineering of functional materials. In thi…
Physics-driven discovery and bandgap engineering of hybrid perovskites
Sheryl L. Sanchez, Elham Foadian, Maxim Ziatdinov +4
The unique aspect of the hybrid perovskites is their tunability, allowing to engineer the bandgap via substitution. From application viewpoint, this allows creation of the tandem c…
Human-in-the-loop: The future of Machine Learning in Automated Electron Microscopy
Sergei V. Kalinin, Yongtao Liu, Arpan Biswas +5
Machine learning methods are progressively gaining acceptance in the electron microscopy community for de-noising, semantic segmentation, and dimensionality reduction of data post-…
Towards Lightweight Data Integration using Multi-workflow Provenance and Data Observability
Renan Souza, Tyler J. Skluzacek, Sean R. Wilkinson +2
Modern large-scale scientific discovery requires multidisciplinary collaboration across diverse computing facilities, including High Performance Computing (HPC) machines and the Ed…
Cyber Framework for Steering and Measurements Collection Over Instrument-Computing Ecosystems
Anees Al-Najjar, Nageswara S. V. Rao, Ramanan Sankaran +4
We propose a framework to develop cyber solutions to support the remote steering of science instruments and measurements collection over instrument-computing ecosystems. It is base…
A dynamic Bayesian optimized active recommender system for curiosity-driven Human-in-the-loop automated experiments
Arpan Biswas, Yongtao Liu, Nicole Creange +6
Optimization of experimental materials synthesis and characterization through active learning methods has been growing over the last decade, with examples ranging from measurements…
Deep Learning for Automated Experimentation in Scanning Transmission Electron Microscopy
Sergei V. Kalinin, Debangshu Mukherjee, Kevin M. Roccapriore +9
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…
Physics and Chemistry from Parsimonious Representations: Image Analysis via Invariant Variational Autoencoders
Mani Valleti, Yongtao Liu, Sergei Kalinin
Electron, optical, and scanning probe microscopy methods are generating ever increasing volume of image data containing information on atomic and mesoscale structures and functiona…
Roadmap on Deep Learning for Microscopy
Giovanni Volpe, Carolina Wählby, Lei Tian +72
Through digital imaging, microscopy has evolved from primarily being a means for visual observation of life at the micro- and nano-scale, to a quantitative tool with ever-increasin…
Deep Kernel Methods Learn Better: From Cards to Process Optimization
Mani Valleti, Rama K. Vasudevan, Maxim A. Ziatdinov +1
The ability of deep learning methods to perform classification and regression tasks relies heavily on their capacity to uncover manifolds in high-dimensional data spaces and projec…
A processing and analytics system for microscopy data workflows: the Pycroscopy ecosystem of packages
Rama Vasudevan, Mani Valleti, Maxim Ziatdinov +2
Major advancements in fields as diverse as biology and quantum computing have relied on a multitude of microscopic techniques. All optical, electron and scanning probe microscopy a…
Post-Experiment Forensics and Human-in-the-Loop Interventions in Explainable Autonomous Scanning Probe Microscopy
Yongtao Liu, Maxim Ziatdinov, Rama Vasudevan +1
The broad adoption of machine learning (ML)-based automated and autonomous experiments (AE) in physical characterization and synthesis requires development of strategies for unders…
Designing Workflows for Materials Characterization
Sergei V. Kalinin, Maxim Ziatdinov, Mahshid Ahmadi +4
Experimental science is enabled by the combination of synthesis, imaging, and functional characterization. Synthesis of a new material is typically followed by a set of characteriz…
Combining Variational Autoencoders and Physical Bias for Improved Microscopy Data Analysis
Arpan Biswas, Maxim Ziatdinov, Sergei V. Kalinin
Electron and scanning probe microscopy produce vast amounts of data in the form of images or hyperspectral data, such as EELS or 4D STEM, that contain information on a wide range o…
Discovery of structure-property relations for molecules via hypothesis-driven active learning over the chemical space
Ayana Ghosh, Sergei V. Kalinin, Maxim A. Ziatdinov
Discovery of the molecular candidates for applications in drug targets, biomolecular systems, catalysts, photovoltaics, organic electronics, and batteries, necessitates development…