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Material scientists are increasingly adopting the use of machine learning (ML) for making potentially important decisions, such as, discovery, development, optimization, synthesis and characterization of materials. However, despite ML's…

Computational Physics · Physics 2019-03-12 Bhavya Kailkhura , Brian Gallagher , Sookyung Kim , Anna Hiszpanski , T. Yong-Jin Han

In a standard classification framework a set of trustworthy learning data are employed to build a decision rule, with the final aim of classifying unlabelled units belonging to the test set. Therefore, unreliable labelled observations,…

Applications · Statistics 2019-11-20 Andrea Cappozzo , Francesca Greselin , Thomas Brendan Murphy

Ensemble models often achieve higher accuracy than single learners, but their ability to maintain small generalization gaps is not always well understood. This study examines how ensembles balance accuracy and overfitting across four…

Machine Learning · Computer Science 2025-12-08 Zubair Ahmed Mohammad

Selective classification allows models to abstain from making predictions (e.g., say "I don't know") when in doubt in order to obtain better effective accuracy. While typical selective models can be effective at producing more accurate…

Machine Learning · Computer Science 2024-06-24 Adam Fisch , Tommi Jaakkola , Regina Barzilay

Machine-learning models of atomic-scale interactions achieve the accuracy of the quantum mechanical calculations on which they are trained, but at a dramatically lower computational cost. Their predictions can be made trustworthy by…

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 2013-03-13 Maumita Bhattacharya

Uncertainty quantification is essential for scientific analysis, as it allows for the evaluation and interpretation of variability and reliability in complex systems and datasets. In their original form, multivariate statistical regression…

A persistent challenge in astronomical machine learning is a systematic bias where predictions compress the dynamic range of true values-high values are consistently predicted too low while low values are predicted too high. Understanding…

Instrumentation and Methods for Astrophysics · Physics 2025-07-17 Yuan-Sen Ting

Accurate uncertainty quantification is crucial for the safe deployment of machine learning models, and prior research has demonstrated improvements in the calibration of modern language models (LMs). We study in-context learning (ICL), a…

Computation and Language · Computer Science 2024-03-29 Hanlin Zhang , Yi-Fan Zhang , Yaodong Yu , Dhruv Madeka , Dean Foster , Eric Xing , Himabindu Lakkaraju , Sham Kakade

Label smoothing is widely used in deep neural networks for multi-class classification. While it enhances model generalization and reduces overconfidence by aiming to lower the probability for the predicted class, it distorts the predicted…

Machine Learning · Computer Science 2021-10-12 Mohamed Maher , Meelis Kull

Gyroscopes are crucial for accurate angular velocity measurements in navigation, stabilization, and control systems. MEMS gyroscopes offer advantages like compact size and low cost but suffer from errors and inaccuracies that are complex…

Machine Learning · Computer Science 2024-10-11 Yaoyao Long , Zhenming Liu , Cong Hao , Farrokh Ayazi

Post-hoc recalibration methods are widely used to ensure that classifiers provide faithful probability estimates. We argue that parametric recalibration functions based on logistic regression can be motivated from a simple theoretical…

Machine Learning · Computer Science 2026-03-11 Eugène Berta , David Holzmüller , Michael I. Jordan , Francis Bach

The frequency dependence of dielectric material properties of water saturated and unsaturated porous materials such as soil is not only disturbing in applications with high frequency electromagnetic (HF-EM) techniques but also contains…

Geophysics · Physics 2024-06-25 Norman Wagner , Frank Daschner , Alexander Scheuermann , Moritz Schwing

There are several algorithms for measuring fairness of ML models. A fundamental assumption in these approaches is that the ground truth is fair or unbiased. In real-world datasets, however, the ground truth often contains data that is a…

Machine Learning · Computer Science 2023-11-02 Srinivasan H Sengamedu , Hien Pham

Widespread Pb (lead) contamination of urban soil significantly impacts food safety and public health and hinders city greening efforts. However, most existing technologies for measuring Pb are labor-intensive and costly. In this study, we…

Emerging Technologies · Computer Science 2025-12-19 Yixuan Gao , Tanvir Ahmed , Mikhail Mohammed , Zhongqi Cheng , Rajalakshmi Nandakumar

This paper presents an explainable machine learning (ML) approach for predicting surface roughness in milling. Utilizing a dataset from milling aluminum alloy 2017A, the study employs random forest regression models and feature importance…

Machine Learning · Computer Science 2024-09-17 Dennis Gross , Helge Spieker , Arnaud Gotlieb , Ricardo Knoblauch , Mohamed Elmansori

Residuals in regression models are often spatially correlated. Prominent examples include studies in environmental epidemiology to understand the chronic health effects of pollutants. I consider the effects of residual spatial structure on…

Methodology · Statistics 2010-11-05 Christopher J. Paciorek

The tools and technology that are currently used to analyze chemical compound structures that identify polymer types in microplastics are not well-calibrated for environmentally weathered microplastics. Microplastics that have been degraded…

Machine Learning · Computer Science 2025-01-09 Sheela Ramanna , Danila Morozovskii , Sam Swanson , Jennifer Bruneau

Machine Learning (ML) algorithms have been used for assessing soil quality parameters along with non-destructive methodologies. Among spectroscopic analytical methodologies, energy dispersive X-ray fluorescence (EDXRF) is one of the more…

Using machine learning (ML), high performance computing, and a large body of geospatial information, we develop surrogate models to predict soil liquefaction across regional scales. Two sets of models - one global and one specific to New…

Computational Engineering, Finance, and Science · Computer Science 2025-09-16 Morgan D. Sanger , Mertcan Geyin , Brett W. Maurer