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Ferroelectric polarization switching underpins the functional performance of a wide range of materials and devices, yet its dependence on complex local microstructural features renders systematic exploration by manual or grid-based…

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

Emergent functionalities of structural and topological defects in ferroelectric materials underpin an extremely broad spectrum of applications ranging from domain wall electronics to high dielectric and electromechanical responses. Many of…

Inferring parameters of high-dimensional partial differential equations (PDEs) poses significant computational and inferential challenges, primarily due to the curse of dimensionality and the inherent limitations of traditional numerical…

Computational Engineering, Finance, and Science · Computer Science 2025-09-18 Weihao Yan , Christoph Brune , Mengwu Guo

Ferroelectric materials have remained one of the foci of condensed matter physics and materials science for over 50 years. In the last 20 years, the development of voltage-modulated scanning probe microscopy techniques, exemplified by…

Materials Science · Physics 2017-01-06 Rama K. Vasudevan , Nina Balke , Peter Maksymovych , Stephen Jesse , Sergei V. Kalinin

We develop and implement an automated experiment in multimodal imaging to probe structural, chemical, and functional behaviors in complex materials and elucidate the dominant physical mechanisms that control device function. Here the…

Recent years have seen rapid progress at the intersection between causality and machine learning. Motivated by scientific applications involving high-dimensional data, in particular in biomedicine, we propose a deep neural architecture for…

Machine Learning · Computer Science 2022-12-12 Kai Lagemann , Christian Lagemann , Bernd Taschler , Sach Mukherjee

Deep kernel learning is a promising combination of deep neural networks and nonparametric function learning. However, as a data driven approach, the performance of deep kernel learning can still be restricted by scarce or insufficient data,…

Machine Learning · Statistics 2022-01-20 Zheng Wang , Wei Xing , Robert Kirby , Shandian Zhe

Coupling between electrical and mechanical phenomena is a near-universal characteristic of inorganic and biological systems alike, with examples ranging from ferroelectric perovskites to electromotor proteins in cellular membranes.…

Materials Science · Physics 2016-11-15 Sergei V. Kalinin , Andrei Rar , Stephen Jesse

In this work, we investigate the inverse problem of determining the kernel functions that best describe the mechanical behavior of a complex medium modeled by a general nonlocal viscoelastic wave equation. To this end, we minimize a…

Causal discovery, beyond the inference of a network as a collection of connected dots, offers a crucial functionality in scientific discovery using artificial intelligence. The questions that arise in multiple domains, such as physics,…

Machine Learning · Computer Science 2021-06-03 M. Ali Vosoughi , Axel Wismuller

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…

Knowledge driven discovery of novel materials necessitates the development of the causal models for the property emergence. While in classical physical paradigm the causal relationships are deduced based on the physical principles or via…

Machine learning has emerged as a powerful tool for the analysis of mesoscopic and atomically resolved images and spectroscopy in electron and scanning probe microscopy, with the applications ranging from feature extraction to information…

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

Microscopy techniques have played vital roles in materials science, biology, and nanotechnology, offering high-resolution imaging and detailed insights into properties at nanoscale and atomic level. The automation of microscopy experiments,…

Materials Science · Physics 2024-08-06 Utkarsh Pratiush , Hiroshi Funakubo , Rama Vasudevan , Sergei V. Kalinin , Yongtao Liu

Strong coupling between electrical and mechanical phenomena and the presence of switchable polarization have enabled applications of ferroelectric materials for nonvolatile memories (FeRAM), data storage, and ferroelectric lithography.…

Previously, we showed that computational mechanic's causal states -- predictively-equivalent trajectory classes for a stochastic dynamical system -- can be cast into a reproducing kernel Hilbert space. The result is a widely-applicable…

Machine Learning · Computer Science 2024-10-03 Alexandra M. Jurgens , Nicolas Brodu

Prediction of properties from composition is a fundamental goal of materials science and can greatly accelerate development of functional materials. It is particularly relevant for ferroelectric perovskite solid solutions where…

The functionality of ferroelastic domain walls in ferroelectric materials is explored in real-time via the in-situ implementation of computer vision algorithms in scanning probe microscopy (SPM) experiment. The robust deep convolutional…

Materials Science · Physics 2022-06-24 Yongtao Liu , Kyle P. Kelley , Hiroshi Funakubo , Sergei V. Kalinin , Maxim Ziatdinov
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