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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

Kernel-based subspace clustering, which addresses the nonlinear structures in data, is an evolving area of research. Despite noteworthy progressions, prevailing methodologies predominantly grapple with limitations relating to (i) the…

Machine Learning · Computer Science 2025-01-22 Kunpeng Xu , Lifei Chen , Shengrui Wang

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

The behaviors and skills of models in many geosciences (e.g., hydrology and ecosystem sciences) strongly depend on spatially-varying parameters that need calibration. A well-calibrated model can reasonably propagate information from…

Machine Learning · Computer Science 2022-03-24 Wen-Ping Tsai , Dapeng Feng , Ming Pan , Hylke Beck , Kathryn Lawson , Yuan Yang , Jiangtao Liu , Chaopeng Shen

Advances in robotic control and sensing have propelled the rise of automated scientific laboratories capable of high-throughput experiments. However, automated scientific laboratories are currently limited by human intuition in their…

Machine Learning · Computer Science 2024-12-18 Saaketh Desai , Sadhvikas Addamane , Jeffrey Y. Tsao , Igal Brener , Laura P. Swiler , Remi Dingreville , Prasad P. Iyer

Deep learning has proven effective for various application tasks, but its applicability is limited by the reliance on annotated examples. Self-supervised learning has emerged as a promising direction to alleviate the supervision bottleneck,…

Machine Learning · Computer Science 2021-07-28 Hoifung Poon , Hai Wang , Hunter Lang

Automated decision-making is becoming key for automated characterization including electron and scanning probe microscopies and nano indentation. Most machine learning driven workflows optimize a single predefined objective and tend to…

Materials Science · Physics 2026-04-07 Kamyar Barakati , Boris N. Slautin , Utkarsh Pratiush , Hiroshi Funakubo , Sergei V. Kalinin

In robotics, deep learning (DL) methods are used more and more widely, but their general inability to provide reliable confidence estimates will ultimately lead to fragile and unreliable systems. This impedes the potential deployments of DL…

Robotics · Computer Science 2020-11-02 Matthias Humt , Jongseok Lee , Rudolph Triebel

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

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

Bayesian Optimization (BO) is a powerful tool for optimizing complex non-linear systems. However, its performance degrades in high-dimensional problems with tightly coupled parameters and highly asymmetric objective landscapes, where…

Machine Learning · Computer Science 2026-02-12 Aashwin Mishra , Matt Seaberg , Ryan Roussel , Daniel Ratner , Apurva Mehta

The fusion of experimental automation and machine learning has catalyzed a new era in materials research, prominently featuring Gaussian Process Bayesian Optimization (GPBO) driven autonomous experiments navigating complex experimental…

Materials Science · Physics 2024-05-28 Sumner B. Harris , Rama Vasudevan , Yongtao Liu

Bayesian Optimization (BO) has shown great promise for the global optimization of functions that are expensive to evaluate, but despite many successes, standard approaches can struggle in high dimensions. To improve the performance of BO,…

Machine Learning · Computer Science 2022-06-17 Sebastian Ament , Carla Gomes

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…

Adopting large-scale AI models in enterprise information systems is often hindered by high training costs and long development cycles, posing a significant managerial challenge. The standard end-to-end backpropagation (BP) algorithm is a…

Machine Learning · Computer Science 2026-02-04 Ming-Yao Ho , Cheng-Kai Wang , You-Teng Lin , Hung-Hsuan Chen

The breakthrough in Deep Learning neural networks has transformed the use of AI and machine learning technologies for the analysis of very large experimental datasets. These datasets are typically generated by large-scale experimental…

Machine Learning · Computer Science 2021-10-26 Jeyan Thiyagalingam , Mallikarjun Shankar , Geoffrey Fox , Tony Hey

Bayesian Optimisation (BO) refers to a suite of techniques for global optimisation of expensive black box functions, which use introspective Bayesian models of the function to efficiently search for the optimum. While BO has been applied…

Often, applications of self-supervised learning to 3D medical data opt to use 3D variants of successful 2D network architectures. Although promising approaches, they are significantly more computationally demanding to train, and thus reduce…

Computer Vision and Pattern Recognition · Computer Science 2024-02-27 David Torpey , Richard Klein

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 project them into low-dimensional representation spaces. In this…

Machine Learning · Computer Science 2023-09-20 Mani Valleti , Rama K. Vasudevan , Maxim A. Ziatdinov , Sergei V. Kalinin

By redefining the conventional notions of layers, we present an alternative view on finitely wide, fully trainable deep neural networks as stacked linear models in feature spaces, leading to a kernel machine interpretation. Based on this…

Machine Learning · Statistics 2020-12-02 Shiyu Duan , Shujian Yu , Jose Principe
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