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Automated machine learning techniques benefited from tremendous research progress in recently. These developments and the continuous-growing demand for machine learning experts led to the development of numerous AutoML tools. However, these…

Machine Learning · Computer Science 2021-06-15 Alexandru-Ionut Imbrea

Data science, and machine learning in particular, is rapidly transforming the scientific and industrial landscapes. The aerospace industry is poised to capitalize on big data and machine learning, which excels at solving the types of…

Traditionally, yield strength prediction relies on detailed and resource-intensive microstructural characterization combined with empirical equations. However, quantifying microstructural feature length scales for novel processes like…

Materials Science · Physics 2024-12-12 Abhinav Chandraker , Sampad Barik , Nichenametla Jai Sai , Ankur Chauhan

Machine Learning is transitioning from an art and science into a technology available to every developer. In the near future, every application on every platform will incorporate trained models to encode data-based decisions that would be…

Materials properties depend strongly on chemical composition, i.e., the relative amounts of each chemical element. Changes in composition lead to entirely different chemical arrangements, which vary in complexity from perfectly ordered…

Materials Science · Physics 2025-06-24 Killian Sheriff , Daniel Xiao , Yifan Cao , Lewis R. Owen , Rodrigo Freitas

Building models from data is an integral part of the majority of data science workflows. While data scientists are often forced to spend the majority of the time available for a given project on data cleaning and exploratory analysis, the…

Human-Computer Interaction · Computer Science 2019-11-07 Florian Pfisterer , Janek Thomas , Bernd Bischl

Jewelry has been an integral part of human culture since ages. One of the most popular styles of jewelry is created by putting together precious and semi-precious stones in diverse patterns. While technology is finding its way in the…

Artificial Intelligence · Computer Science 2018-11-22 Khyatti Gupta , Sonam Damani , Kedhar Nath Narahari

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

This paper reviews past and ongoing efforts in using high-throughput ab-inito calculations in combination with machine learning models for materials design. The primary focus is on bulk materials, i.e., materials with fixed, ordered,…

Materials Science · Physics 2020-07-08 Rickard Armiento

New discoveries in chemistry and materials science, with increasingly expanding volume of requisite knowledge and experimental workload, provide unique opportunities for machine learning (ML) to take critical roles in accelerating research…

Machine Learning (ML) techniques have begun to dominate data analytics applications and services. Recommendation systems are a key component of online service providers. The financial industry has adopted ML to harness large volumes of data…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-03-29 Richard Mortier , Hamed Haddadi , Sandra Servia , Liang Wang

Data scientists often develop machine learning models to solve a variety of problems in the industry and academy but not without facing several challenges in terms of Model Development. The problems regarding Machine Learning Development…

Software Engineering · Computer Science 2021-02-16 Giuliano Lorenzoni , Paulo Alencar , Nathalia Nascimento , Donald Cowan

Automated machine learning (AutoML) is envisioned to make ML techniques accessible to ordinary users. Recent work has investigated the role of humans in enhancing AutoML functionality throughout a standard ML workflow. However, it is also…

Human-Computer Interaction · Computer Science 2024-04-05 Yuan Sun , Qiurong Song , Xinning Gui , Fenglong Ma , Ting Wang

Although the tailored metal active sites and porous architectures of MOFs hold great promise for engineering challenges ranging from gas separations to catalysis, a lack of understanding of how to improve their stability limits their use in…

Materials Science · Physics 2021-06-28 Aditya Nandy , Chenru Duan , Heather J. Kulik

Accelerated discovery with machine learning (ML) has begun to provide the advances in efficiency needed to overcome the combinatorial challenge of computational materials design. Nevertheless, ML-accelerated discovery both inherits the…

Materials Science · Physics 2022-05-09 Chenru Duan , Fang Liu , Aditya Nandy , Heather J. Kulik

While Machine Learning (ML) technologies are widely adopted in many mission critical fields to support intelligent decision-making, concerns remain about system resilience against ML-specific security attacks and privacy breaches as well as…

Machine Learning · Computer Science 2022-02-15 Pulei Xiong , Scott Buffett , Shahrear Iqbal , Philippe Lamontagne , Mohammad Mamun , Heather Molyneaux

Machine learning (ML) is becoming increasingly crucial in many fields of engineering but has not yet played out its full potential in bioprocess engineering. While experimentation has been accelerated by increasing levels of lab automation,…

In the dynamic and rapidly advancing battery field, alloy anode materials are a focal point due to their superior electrochemical performance. Traditional screening methods are inefficient and time-consuming. Our research introduces a…

Materials Science · Physics 2024-09-17 Xingyue Shi , Linming Zhou , Yuhui Huang , Yongjun Wu , Zijian Hong

Being able to predict the remaining useful life (RUL) of an engineering system is an important task in prognostics and health management. Recently, data-driven approaches to RUL predictions are becoming prevalent over model-based approaches…

Machine Learning · Computer Science 2025-01-20 Marc-André Zöller , Fabian Mauthe , Peter Zeiler , Marius Lindauer , Marco F. Huber

The purpose of this study is to investigate the development process for Artificial inelegance (AI) and machine learning (ML) applications in order to provide the best support environment. The main stages of ML are problem understanding,…

Software Engineering · Computer Science 2023-08-16 Taha Khamis , Hamam Mokayed
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