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Material selection is a crucial step in conceptual design due to its significant impact on the functionality, aesthetics, manufacturability, and sustainability impact of the final product. This study investigates the use of Large Language…

Computation and Language · Computer Science 2024-05-08 Daniele Grandi , Yash Patawari Jain , Allin Groom , Brandon Cramer , Christopher McComb

The recent surge in the adoption of machine learning techniques for materials design, discovery, and characterization has resulted in an increased interest and application of Image Driven Machine Learning (IDML) approaches. In this work, we…

Materials Science · Physics 2021-05-21 Arun Baskaran , Elizabeth J. Kautz , Aritra Chowdhary , Wufei Ma , Bulent Yener , Daniel J. Lewis

In this paper, we present a data-driven model for estimating optimal rework policies in manufacturing systems. We consider a single production stage within a multistage, lot-based system that allows for optional rework steps. While the…

Machine Learning · Computer Science 2024-06-21 Philipp Schwarz , Oliver Schacht , Sven Klaassen , Daniel Grünbaum , Sebastian Imhof , Martin Spindler

Model Driven Engineering (MDE) has been widely applied in software development, aiming to facilitate the coordination among various stakeholders. Such a methodology allows for a more efficient and effective development process.…

Software Engineering · Computer Science 2022-03-14 Juri Di Rocco , Davide Di Ruscio , Claudio Di Sipio , Phuong T. Nguyen , Alfonso Pierantonio

The selection of a validation basis from a full dataset is often required in industrial use of supervised machine learning algorithm. This validation basis will serve to realize an independent evaluation of the machine learning model. To…

Machine Learning · Statistics 2021-04-30 Bertrand Iooss

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

Materials design and development typically takes several decades from the initial discovery to commercialization with the traditional trial and error development approach. With the accumulation of data from both experimental and…

Materials Science · Physics 2017-07-18 Xiaojiao Yu

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

Multi-label classification (MLC) is an ML task of predictive modeling in which a data instance can simultaneously belong to multiple classes. MLC is increasingly gaining interest in different application domains such as text mining,…

Machine Learning · Computer Science 2022-11-22 Ana Kostovska , Carola Doerr , Sašo Džeroski , Dragi Kocev , Panče Panov , Tome Eftimov

When selecting data for training large-scale models, standard practice is to filter for examples that match human notions of data quality. Such filtering yields qualitatively clean datapoints that intuitively should improve model behavior.…

Machine Learning · Computer Science 2024-01-24 Logan Engstrom , Axel Feldmann , Aleksander Madry

In this paper, we delve into the critical aspect of dataset quality assessment in machine learning classification tasks. Leveraging a variety of nine distinct datasets, each crafted for classification tasks with varying complexity levels,…

Machine Learning · Computer Science 2023-06-28 Szymon Mazurek , Maciej Wielgosz

Materials design is an important component of modern science and technology, yet traditional approaches rely heavily on trial-and-error and can be inefficient. Computational techniques, enhanced by modern artificial intelligence (AI), have…

In the era of big data, analysts usually explore various statistical models or machine learning methods for observed data in order to facilitate scientific discoveries or gain predictive power. Whatever data and fitting procedures are…

Machine Learning · Statistics 2018-10-24 Jie Ding , Vahid Tarokh , Yuhong Yang

Most materials science datasets are limited to atomic geometries (e.g., XYZ files), restricting their utility for multimodal learning and comprehensive data-centric analysis. These constraints have historically impeded the adoption of…

Machine Learning · Computer Science 2025-07-22 Can Polat , Erchin Serpedin , Mustafa Kurban , Hasan Kurban

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

Bayesian optimization is used in many areas of AI for the optimization of black-box processes and has achieved impressive improvements of the state of the art for a lot of applications. It intelligently explores large and complex design…

Materials Science · Physics 2021-08-03 Lars Kotthoff , Hud Wahab , Patrick Johnson

Since the surge of data in materials science research and the advancement in machine learning methods, an increasing number of researchers are introducing machine learning techniques into the next generation of materials discovery, ranging…

Soft Condensed Matter · Physics 2024-08-12 Maya M. Martirossyan , Hongjin Du , Julia Dshemuchadse , Chrisy Xiyu Du

Model selection is a strategy aimed at creating accurate and robust models. A key challenge in designing these algorithms is identifying the optimal model for classifying any particular input sample. This paper addresses this challenge and…

Machine Learning · Computer Science 2023-05-22 James Kotary , Vincenzo Di Vito , Ferdinando Fioretto

Understanding structure-property relationships in materials is fundamental in condensed matter physics and materials science. Over the past few years, machine learning (ML) has emerged as a powerful tool for advancing this understanding and…

Strategically locating sawmills is critical for the efficiency, profitability, and sustainability of timber supply chains, yet it involves a series of complex decision-making affected by various factors, such as proximity to resources and…

Machine Learning · Computer Science 2025-04-08 Mahid Ahmed , Ali Dogru , Chaoyang Zhang , Chao Meng