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Recent regulatory initiatives like the European AI Act and relevant voices in the Machine Learning (ML) community stress the need to describe datasets along several key dimensions for trustworthy AI, such as the provenance processes and…

Digital Libraries · Computer Science 2024-05-27 Joan Giner-Miguelez , Abel Gómez , Jordi Cabot

Studies of dataset development in machine learning call for greater attention to the data practices that make model development possible and shape its outcomes. Many argue that the adoption of theory and practices from archives and data…

Computers and Society · Computer Science 2024-05-07 Eshta Bhardwaj , Harshit Gujral , Siyi Wu , Ciara Zogheib , Tegan Maharaj , Christoph Becker

Machine learning (ML)-accelerated discovery requires large amounts of high-fidelity data to reveal predictive structure-property relationships. For many properties of interest in materials discovery, the challenging nature and high cost of…

Chemical Physics · Physics 2021-11-04 Aditya Nandy , Chenru Duan , Heather J. Kulik

We apply machine learning techniques in an attempt to predict and classify stellar properties from noisy and sparse time series data. We preprocessed over 94 GB of Kepler light curves from MAST to classify according to ten distinct physical…

Instrumentation and Methods for Astrophysics · Physics 2018-06-27 Trisha Hinners , Kevin Tat , Rachel Thorp

Data heterogeneity plays a pivotal role in determining the performance of machine learning (ML) systems. Traditional algorithms, which are typically designed to optimize average performance, often overlook the intrinsic diversity within…

Machine Learning · Computer Science 2025-06-03 Jiashuo Liu , Peng Cui

Large Language Models (LLMs) are of great interest in vulnerability detection and repair. The effectiveness of these models hinges on the quality of the datasets used for both training and evaluation. Our investigation reveals that a number…

Software Engineering · Computer Science 2025-03-11 Anurag Swarnim Yadav , Joseph N. Wilson

The reasoning capabilities of Large Language Models (LLMs) play a critical role in many downstream tasks, yet depend strongly on the quality of training data. Despite various proposed data construction methods, their practical utility in…

Computation and Language · Computer Science 2025-10-09 Yike Zhao , Simin Guo , Ziqing Yang , Shifan Han , Dahua Lin , Fei Tan

High-entropy materials (HEMs) have recently emerged as a significant category of materials, offering highly tunable properties. However, the scarcity of HEM data in existing density functional theory (DFT) databases, primarily due to…

Materials Science · Physics 2024-06-04 Kangming Li , Kamal Choudhary , Brian DeCost , Michael Greenwood , Jason Hattrick-Simpers

Nuclear materials are often demanded to function for extended time in extreme environments, including high radiation fluxes and transmutation, high temperature and temperature gradients, stresses, and corrosive coolants. They also have a…

Materials Science · Physics 2022-11-18 Dane Morgan , Ghanshyam Pilania , Adrien Couet , Blas P. Uberuaga , Cheng Sun , Ju Li

To retrieve and compare scientific data of simulations and experiments in materials science, data needs to be easily accessible and machine readable to qualify and quantify various materials science phenomena. The recent progress in open…

Materials Science · Physics 2025-03-25 Balduin Katzer , Steffen Klinder , Katrin Schulz

The promise of data-driven materials discovery remains constrained by the scarcity of large, high-quality, and accessible experimental datasets. Here, we introduce a generalizable large language model (LLM)-powered pipeline for automated…

Materials Science · Physics 2026-04-28 Zhanzhao Li , Kengran Yang , Qiyao He , Kai Gong

Data curation is the problem of how to collect and organize samples into a dataset that supports efficient learning. Despite the centrality of the task, little work has been devoted towards a large-scale, systematic comparison of various…

Computer Vision and Pattern Recognition · Computer Science 2024-10-08 Benjamin Feuer , Jiawei Xu , Niv Cohen , Patrick Yubeaton , Govind Mittal , Chinmay Hegde

Large Language Models have become the de facto approach to sequence-to-sequence text generation tasks, but for specialized tasks/domains, a pretrained LLM lacks specific capabilities to produce accurate or well-formatted responses.…

Computation and Language · Computer Science 2024-03-20 Jiuhai Chen , Jonas Mueller

We report the machine learning (ML)-based approach allowing thermoelectric generator (TEG) efficiency evaluation directly from 5 parameters: 2 physical properties - carriers density and energy gap, and 3 engineering parameters - external…

Materials Science · Physics 2024-08-23 Anastasiia Tukmakova , Patrizio Graziosi

Machine Learning (ML) has offered innovative perspectives for accelerating the discovery of new functional materials, leveraging the increasing availability of material databases. Despite the promising advances, data-driven methods face…

The information content of crystalline materials becomes astronomical when collective electronic behavior and their fluctuations are taken into account. In the past decade, improvements in source brightness and detector technology at modern…

Machine learning algorithms have become increasingly prevalent in multiple domains, such as autonomous driving, healthcare, and finance. In such domains, data preparation remains a significant challenge in developing accurate models,…

Databases · Computer Science 2023-04-27 Mohamed Abdelaal , Rashmi Koparde , Harald Schoening

Although the convergence of high-performance computing, automation, and machine learning has significantly altered the materials design timeline, transformative advances in functional materials and acceleration of their design will require…

Machine learning (ML) is revolutionizing the world, affecting almost every field of science and industry. Recent algorithms (in particular, deep networks) are increasingly data-hungry, requiring large datasets for training. Thus, the…

Machine Learning · Computer Science 2022-11-16 Chen Shani , Jonathan Zarecki , Dafna Shahaf

Background: Electronic Health Records (EHRs) contain rich information of patients' health history, which usually include both structured and unstructured data. There have been many studies focusing on distilling valuable information from…

Machine Learning · Computer Science 2021-11-10 Ziyi Liu , Jiaqi Zhang , Yongshuai Hou , Xinran Zhang , Ge Li , Yang Xiang