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High-throughput computational and experimental design of materials aided by machine learning have become an increasingly important field in material science. This area of research has emerged in leaps and bounds in the thermal sciences, in…

Materials Science · Physics 2019-06-17 Hang Zhang , Kedar Hippalgaonkar , Tonio Buonassisi , Ole M. Løvvik , Espen Sagvolden , Ding Ding

Crystal-graph attention networks have emerged recently as remarkable tools for the prediction of thermodynamic stability and materials properties from unrelaxed crystal structures. Previous networks trained on two million materials…

Science-based simulation tools such as Finite Element (FE) models are routinely used in scientific and engineering applications. While their success is strongly dependent on our understanding of underlying governing physical laws, they…

Machine Learning · Computer Science 2021-03-31 Navid Zobeiry , Anoush Poursartip

In general, large datasets enable deep learning models to perform with good accuracy and generalizability. However, massive high-fidelity simulation datasets (from molecular chemistry, astrophysics, computational fluid dynamics (CFD), etc.…

Machine Learning · Computer Science 2022-07-27 Wai Tong Chung , Ki Sung Jung , Jacqueline H. Chen , Matthias Ihme

Machine learning datasets are powerful but unwieldy. Despite the fact that large datasets commonly contain problematic material--whether from a technical, legal, or ethical perspective--datasets are valuable resources when handled carefully…

Computers and Society · Computer Science 2025-01-28 Sarah Ciston , Mike Ananny , Kate Crawford

In this big data era, the use of large dataset in conjunction with machine learning (ML) has been increasingly popular in both industry and academia. In recent times, the field of materials science is also undergoing a big data revolution,…

Materials Science · Physics 2023-09-27 Sue Sin Chong , Yi Sheng Ng , Hui-Qiong Wang , Jin-Cheng Zheng

Macro-management is an important problem in StarCraft, which has been studied for a long time. Various datasets together with assorted methods have been proposed in the last few years. But these datasets have some defects for boosting the…

Artificial Intelligence · Computer Science 2023-04-04 Huikai Wu , Yanqi Zong , Junge Zhang , Kaiqi Huang

With the expansion of data availability, machine learning (ML) has achieved remarkable breakthroughs in both academia and industry. However, imbalanced data distributions are prevalent in various types of raw data and severely hinder the…

Machine Learning · Computer Science 2025-09-15 Xinyi Gao , Dongting Xie , Yihang Zhang , Zhengren Wang , Chong Chen , Conghui He , Hongzhi Yin , Wentao Zhang

LLMs have demonstrated impressive performance in answering medical questions, such as achieving passing scores on medical licensing examinations. However, medical board exams or general clinical questions do not capture the complexity of…

Computation and Language · Computer Science 2026-02-19 Hanjie Chen , Zhouxiang Fang , Yash Singla , Mark Dredze

Machine learning (ML) models utilizing structure-based features provide an efficient means for accurate property predictions across diverse chemical spaces. However, obtaining equilibrium crystal structures typically requires expensive…

Materials Science · Physics 2021-04-22 Yunxing Zuo , Mingde Qin , Chi Chen , Weike Ye , Xiangguo Li , Jian Luo , Shyue Ping Ong

Machine learning can provide deep insights into data, allowing machines to make high-quality predictions and having been widely used in real-world applications, such as text mining, visual classification, and recommender systems. However,…

Machine Learning · Computer Science 2020-08-11 Meng Wang , Weijie Fu , Xiangnan He , Shijie Hao , Xindong Wu

The research of machine learning (ML) algorithms for human activity recognition (HAR) has made significant progress with publicly available datasets. However, most research prioritizes statistical metrics over examining negative sample…

Machine Learning · Computer Science 2024-12-13 Daniel Geissler , Dominique Nshimyimana , Vitor Fortes Rey , Sungho Suh , Bo Zhou , Paul Lukowicz

The thickness of 2D materials not only plays a crucial role in determining the performance of nanoelectronic and optoelectronic devices but also introduces complexities in predicting volume-dependent properties such as energy storage…

Materials Science · Physics 2024-05-27 Chinedu Ekuma

Machine learning (ML) holds great promise for clinical applications but is often hindered by limited access to high-quality data due to privacy concerns, high costs, and long timelines associated with clinical trials. While large language…

Computation and Language · Computer Science 2026-03-27 Zerui Xu , Fang Wu , Yingzhou Lu , Yuanyuan Zhang , Yue Zhao

Large language models (LLMs) offer new opportunities for automated data extraction and property prediction across materials science, yet their use in superconductivity research remains limited. Here we construct a large experimental…

Materials Science · Physics 2025-12-12 Suman Itani , Yibo Zhang , Ranjit Itani , Jiadong Zang

Dataset curation has become a basis for strong large language model (LLM) performance. While various rule-based filtering heuristics exist for English and multilingual datasets, model-based filtering techniques have primarily focused on…

Computation and Language · Computer Science 2026-02-20 Bettina Messmer , Vinko Sabolčec , Martin Jaggi

The study of plasma physics under conditions of extreme temperatures, densities and electromagnetic field strengths is significant for our understanding of astrophysics, nuclear fusion and fundamental physics. These extreme physical systems…

Data quality remains an important challenge in data-driven systems, as errors in tabular data can severely compromise downstream analytics and machine learning performance. Although numerous error detection algorithms have been proposed,…

Databases · Computer Science 2026-03-10 Xinyuan Liu , Jiahui Chen , Bocheng Hu , Yu Sun , Xinyang Chen , Shaoxu Song , Yongxin Tong

The electric grid is a key enabling infrastructure for the ambitious transition towards carbon neutrality as we grapple with climate change. With deepening penetration of renewable energy resources and electrified transportation, the…

Machine Learning · Computer Science 2022-05-24 Xiangtian Zheng , Nan Xu , Loc Trinh , Dongqi Wu , Tong Huang , S. Sivaranjani , Yan Liu , Le Xie

Self-supervised features are the cornerstone of modern machine learning systems. They are typically pre-trained on data collections whose construction and curation typically require extensive human effort. This manual process has some…

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