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In this paper, we leverage predictive uncertainty of deep neural networks to answer challenging questions material scientists usually encounter in machine learning based materials applications workflows. First, we show that by leveraging…

Materials Science · Physics 2021-04-26 Jize Zhang , Bhavya Kailkhura , T. Yong-Jin Han

In many scientific and data-driven applications, machine learning models are increasingly used as measurement instruments, rather than merely as predictors of predefined labels. When the measurement function is learned from data, the…

Machine Learning · Computer Science 2026-01-27 Indrė Žliobaitė

Uncertainty quantification in Artificial Intelligence (AI)-based predictions of material properties is of immense importance for the success and reliability of AI applications in material science. While confidence intervals are commonly…

Machine Learning · Computer Science 2023-01-16 Francesca Tavazza , Brian De Cost , Kamal Choudhary

To predict the future movements of stock markets, numerous studies concentrate on daily data and employ various machine learning (ML) models as benchmarks that often vary and lack standardization across different research works. This paper…

Computational Finance · Quantitative Finance 2024-07-16 Han Gui

During the past decade, metal additive manufacturing (MAM) has experienced significant developments and gained much attention due to its ability to fabricate complex parts, manufacture products with functionally graded materials, minimize…

Machine Learning · Computer Science 2023-07-06 Sina Tayebati , Kyu Taek Cho

Modern applications of machine learning (ML) deal with increasingly heterogeneous datasets comprised of data collected from overlapping latent subpopulations. As a result, traditional models trained over large datasets may fail to recognize…

Machine Learning · Statistics 2019-10-16 Benjamin Lengerich , Bryon Aragam , Eric P. Xing

The use of machine learning systems in clinical routine is still hampered by the necessity of a medical device certification and/or by difficulty to implement these systems in a clinic's quality management system. In this context, the key…

Medical Physics · Physics 2022-10-18 Lorenzo Mercolli , Axel Rominger , Kuangyu Shi

Machine Learning (ML) models have gained popularity in medical imaging analysis given their expert level performance in many medical domains. To enhance the trustworthiness, acceptance, and regulatory compliance of medical imaging models…

Human-Computer Interaction · Computer Science 2025-06-06 Mischa Dombrowski , Andrea Prenner , Bernhard Kainz

Machine Learning (ML) models are often complex and difficult to interpret due to their 'black-box' characteristics. Interpretability of a ML model is usually defined as the degree to which a human can understand the cause of decisions…

Methodology · Statistics 2020-06-25 Simon Kocbek , Primoz Kocbek , Leona Cilar , Gregor Stiglic

Machine learning (ML) is a revolutionary technology with demonstrable applications across multiple disciplines. Within the Earth science community, ML has been most visible for weather forecasting, producing forecasts that rival modern…

In the context of industrially mass-manufactured products, quality management is based on physically inspecting a small sample from a large batch and reasoning about the batch's quality conformance. When complementing physical inspections…

Applications · Statistics 2024-02-22 Simon Cramer , Tobias Müller , Robert H. Schmitt

A common use of machine learning (ML) models is predicting the class of a sample. Object detection is an extension of classification that includes localization of the object via a bounding box within the sample. Classification, and by…

Machine Learning · Computer Science 2025-08-07 Erin Lanus , Daniel Wolodkin , Laura J. Freeman

Unsupervised deep metric learning (UDML) focuses on learning a semantic representation space using only unlabeled data. This challenging problem requires accurately estimating the similarity between data points, which is used to supervise a…

Computer Vision and Pattern Recognition · Computer Science 2024-03-25 Shubhang Bhatnagar , Narendra Ahuja

Many machine learning (ML) approaches are widely used to generate bioclimatic models for prediction of geographic range of organism as a function of climate. Applications such as prediction of range shift in organism, range of invasive…

Machine Learning · Computer Science 2013-06-19 Maumita Bhattacharya

Despite the fundamental progress in autonomous molecular and materials discovery, data scarcity throughout chemical compound space still severely hampers the use of modern ready-made machine learning models as they rely heavily on the…

Chemical Physics · Physics 2023-11-30 Dominik Lemm , Guido Falk von Rudorff , O. Anatole von Lilienfeld

Machine Learning (ML) is accelerating the progress of materials prediction and classification, with particular success in CGNN designs. While classical ML methods remain accessible, advanced deep networks are still challenging to build and…

Other Condensed Matter · Physics 2025-02-04 Gavin Nop , Micah Mundy , Durga Paudyal , Jonathan Smith

Applied machine learning (ML) has rapidly spread throughout the physical sciences; in fact, ML-based data analysis and experimental decision-making has become commonplace. We suggest a shift in the conversation from proving that ML can be…

Materials Science · Physics 2021-12-21 Naohiro Fujinuma , Brian L. DeCost , Jason Hattrick-Simpers , Samuel E. Lofland

Machine Learning (ML) has become a ubiquitous tool for predicting and classifying data and has found application in several problem domains, including Software Development (SD). This paper reviews the literature between 2000 and 2019 on the…

Magnet errors in storage rings significantly degrade beam performance, impacting the brightness and stability of the light source. Therefore, beam-based correction is crucial for the safe operation of machines and the stability of radiated…

Accelerator Physics · Physics 2025-12-18 Jianhao Xu

Recently, there has been a growing interest in applying machine learning methods to problems in engineering mechanics. In particular, there has been significant interest in applying deep learning techniques to predicting the mechanical…

Machine Learning · Computer Science 2023-03-15 Saeed Mohammadzadeh , Peerasait Prachaseree , Emma Lejeune