arXiv Machine Learning

Mapping Order in Semicrystalline Polymers using Machine Learning of Nanobeam Electron Diffraction

arXiv:2607. 16570v1 Announce Type: cross Abstract: Organic mixed ionic electronic conductors (OMIECs) are a promising class of polymer materials for applications spanning neuromorphic computation to energy efficient electronics and bioelectronics.

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
arXiv AI
Jun 9

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.

By Jiadong Dan, Cheng Zhang, Leyi Loh, Ivan Verzhbitskiy, Yuan Chen, Goki Eda, Michel Bosman, N. Duane Loh
arXiv AI
Jun 8

Multi-Scale Feature Attention Network for Polymer Classification using THz Dual-Comb Spectroscopy

arXiv:2606. 06554v1 Announce Type: cross Abstract: Reliable polymer identification is essential for ensuring the quality and safety of recycled plastics, yet conventional sorting and spectroscopic techniques often struggle to deliver robust discrimination.

By Roshni Mahtani, Il\'an Carretero, Laura Monroy, Aldo Moreno-Oyervides, Oscar El\'ias Bonilla-Manrique, Roc\'io del Amor
arXiv Machine Learning
Jul 23

OrbitAll: A Unified Quantum Mechanical Representation Deep Learning Framework for All Molecular Systems

arXiv:2507. 03853v2 Announce Type: replace Abstract: We introduce OrbitAll, a geometry- and physics-informed deep learning framework that encodes any molecular system with arbitrary charges, spins, and environmental effects using electronic structure information.

By Beom Seok Kang, Vignesh C. Bhethanabotla, Amin Tavakoli, Maurice D. Hanisch, Arimitsu Horikawa-Strakovsky, Miguel Nouman, Danish Khan, William A. Goddard III, Anima Anandkumar
arXiv Machine Learning
Jul 24

Machine Learning for Charge State Characterization of Isolated Double Quantum Dots

arXiv:2607. 20871v1 Announce Type: cross Abstract: Scaling semiconductor quantum dot arrays toward fault-tolerant quantum computing requires efficient tuneup of spin qubits, a process that depends on the analysis of charge stability maps (CSMs) and remains largely manual.

By Hyma Vallabhapurapu, Marco Candido, Krishna Choudhary, Paul Steinacker, Ensar Vahapoglu, Chris Escott, Wee Han Lim, Andre Saraiva, Nard Dumoulin Stuyck, MengKe Feng
arXiv AI
Jun 9

Multi-Scale Feature Attention Network for Polymer Classification Using Terahertz Spectroscopy

arXiv:2606. 06554v2 Announce Type: replace-cross Abstract: Reliable polymer identification is essential for ensuring the quality and safety of recycled plastics, yet conventional sorting and spectroscopic techniques often struggle to deliver robust discrimination.

By Roshni Mahtani, Il\'an Carretero, Laura Monroy, Aldo Moreno-Oyervides, Oscar El\'ias Bonilla-Manrique, Roc\'io del Amor