arXiv AI

Context-Aware Deep Learning for Defect Classification in Atomic-Resolution STEM

arXiv:2606. 09419v1 Announce Type: cross Abstract: Artificial intelligence is rapidly advancing materials characterization, yet most applications in electron microscopy rely solely on image contrast, overlooking the chemical and experimental context that shapes image formation.

arXiv AI
Jun 19

Overcoming Labelled Data Scarcity for Defect Classification in Scanning Tunneling Microscopy

arXiv:2506. 01678v2 Announce Type: replace-cross Abstract: Scanning tunnelling microscopy (STM) is a powerful technique for imaging surfaces with atomic resolution, providing insight into physical and chemical processes at the level of single atoms and molecules.

By Nikola L. Kolev, Max Trouton, Filippo Federici Canova, Geoff Thornton, David Z. Gao, Neil J. Curson, Taylor J. Z. Stock
arXiv AI
Jul 28

AutoMat: Enabling Automated Crystal Structure Reconstruction from Microscopy via Agentic Tool Use

arXiv:2505. 12650v2 Announce Type: replace-cross Abstract: Reconstructing atomistic crystal structures from a single noisy STEM projection is an ill-posed inverse problem: multiple lattices can explain similar contrast, and purely feed-forward models cannot verify physical validity.

By Yaotian Yang, Yiwen Tang, Yizhe Chen, Xiao Chen, Jiangjie Qiu, Hao Xiong, Haoyu Yin, Zhiyao Luo, Yifei Zhang, Sijia Tao, Wentao Li, Qinghua Zhang, Yuqiang Li, Wanli Ouyang, Bin Zhao, Xiaonan Wang, Fei Wei
Hugging Face Trending Papers
Jun 28

STEMGym: Benchmarking Sequential Decision-Making under Dose Budgets in Autonomous Electron Microscopy

A central premise of autonomous scientific imaging is that smarter navigation, whether Bayesian, RL-based, or otherwise adaptive, is the principal lever for sample-efficient acquisition. We present evidence to the contrary in scanning transmission electron microscopy (STEM), an atomic-resolution imaging modality whose every measurement deposits damaging electron dose.

arXiv Machine Learning
Jun 10

Unsupervised Deep Learning for Limited-Angle STEM-EDX Tomography -- Application to 3D Chemical Analysis of Phase-Change Memory Devices

arXiv:2606. 10547v1 Announce Type: cross Abstract: Energy Dispersive X-ray (EDX) tomography in Scanning Transmission Electron Microscopy (STEM) enables 3D compositional and elemental mapping at the nanoscale, but its use is limited by restricted tilt ranges and low-dose conditions required to avoid beam damage.

By Daniel del Pozo Bueno, Serge Brosset, Theo Monniez, Gabriele Navarro, Philippe Ciuciu, Zineb Saghi
arXiv Machine Learning
Jun 2

Towards Automated Discovery: A Review of Generative Models, Multimodal Learning and Closed-Loop Workflows in Inverse Materials Design

arXiv:2606. 02507v1 Announce Type: cross Abstract: Inverse materials design is shifting materials discovery from forward prediction to targeted proposal of candidates that satisfy objectives under physical constraints.

By Anand Babu, Rog\'erio Almeida Gouv\^ea, Gian-Marco Rignanese
arXiv Machine Learning
Jul 10

MatBind: A Shared Embedding Space for Multimodal Materials Characterization

arXiv:2607. 08470v1 Announce Type: new Abstract: Fully characterizing a crystalline material requires integrating heterogeneous data sources -- atomic structures, diffraction patterns, electronic density of states, and natural language -- each of which captures a different facet of the same physical object.

By Le Yang (Institute for Advanced Simulations), Anoop K. Chandran (J\"ulich Supercomputing Centre, Forschungszentrum J\"ulich), Jona \"Ostreicher (Institute of Nanotechnology, Karlsruhe Institute of Technology), Evgenii Sovetkin (J\"ulich Supercomputing Centre, Forschungszentrum J\"ulich), Adrian Mirza (Helmholtz-Zentrum Berlin f\"ur Materialien und Energie, Helmholtz Institute for Polymers in Energy Applications Jena), Sebastien Bompas (Institute for Advanced Simulations), Bashir Kazimi (Institute for Advanced Simulations), Pascal Friederich (Institute of Nanotechnology, Karlsruhe Institute of Technology), Stefan Kesselheim (J\"ulich Supercomputing Centre, Forschungszentrum J\"ulich, 1. Physikalisches Institut, University of Cologne), Kevin Maik Jablonka (Helmholtz Institute for Polymers in Energy Applications Jena, Center for Energy and Environmental Chemistry Jena, Friedrich Schiller University Jena), Stefan Sandfeld (Institute for Advanced Simulations, Faculty 5 - Georesources and Materials Engineering, RWTH Aachen University)
arXiv Machine Learning
Jun 16

Unlocking Latent Dimensions: Exploring Representations of Large-Scale X-ray Scattering Data using Variational Autoencoders

arXiv:2606. 14999v1 Announce Type: new Abstract: Scientific user facilities generate X-ray scattering data faster than traditional workflows can process them.

By Monika Choudhary, Xiaoya Chong, Runbo Jiang, Wiebke Koepp, Petrus H. Zwart, Damon English, Gregory M. Su, Eric Schaible, Chenhui Zhu, Mostafa Nassr, Noah P. Wamble, Kelvin Kam-Yun Li, Jonathan M. Chan, Jose Carlos Diaz, Cameron McKay, Lynn Katz, Benny Freeman, Guillaume Freychet, Yevgen Matviychuk, Eliot Gann, Daniel B. Allan, Benedikt Sochor, Frank Schluenzen, Stephan V. Roth, Ethan Crumlin, Dylan McReynolds, Tanny Chavez, Alexander Hexemer