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While copper-graphene (Cu/Gr) composites have been promising materials due to their theoretically high strength and conductivity, their design has been hampered by the large number of variables affecting their properties. We applied four…

Materials Science · Physics 2022-09-29 Milan Rohatgi , Amir Kordijazi

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

The development of large databases of material properties, together with the availability of powerful computers, has allowed machine learning (ML) modeling to become a widely used tool for predicting material performances. While confidence…

Materials Science · Physics 2023-10-23 Francesca Tavazza , Kamal Choudhary , Brian DeCost

This paper explores the application of automated machine learning (AutoML) techniques to the construction industry, a sector vital to the global economy. Traditional ML model construction methods were complex, time-consuming, reliant on…

Software Engineering · Computer Science 2023-08-04 Rui Zhao , Zhongze Yang , Dong Liang , Fan Xue

The capabilities of supervised machine learning (SML), especially compared to human abilities, are being discussed in scientific research and in the usage of SML. This study provides an answer to how learning performance differs between…

Artificial Intelligence · Computer Science 2020-12-08 Niklas Kühl , Marc Goutier , Lucas Baier , Clemens Wolff , Dominik Martin

As in many other areas of engineering and applied science, Machine Learning (ML) is having a profound impact in the domain of Weather and Climate Prediction. A very recent development in this area has been the emergence of fully data-driven…

Machine Learning · Statistics 2023-11-06 Massimo Bonavita

Accurately predicting when and how materials fail is critical to designing safe, reliable structures, mechanical systems, and engineered components that operate under stress. Yet, fracture behavior remains difficult to model across the…

Machine learning (ML) is emerging as a transformative tool for the design of architected materials, offering properties that far surpass those achievable through lab-based trial-and-error methods. However, a major challenge in current…

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

Machine learning (ML) enables the development of interatomic potentials that promise the accuracy of first principles methods while retaining the low cost and parallel efficiency of empirical potentials. While ML potentials traditionally…

Over the past decade inter-atomic potentials based on machine-learning (ML) techniques have become an indispensable tool in the atomic-scale modeling of materials. Trained on energies and forces obtained from electronic-structure…

Materials Science · Physics 2022-08-15 Michele Ceriotti

Numerical modeling of different structural materials that have highly nonlinear behaviors has always been a challenging problem in engineering disciplines. Experimental data is commonly used to characterize this behavior. This study aims to…

Machine Learning · Computer Science 2020-07-28 Elif Ecem Bas , Denis Aslangil , Mohamed A. Moustafa

Traditional metrics like accuracy, F1-score, and precision are frequently used to evaluate machine learning models, however they may not be sufficient for evaluating performance on tiny, unbalanced, or high-dimensional datasets. A…

Machine Learning · Computer Science 2024-12-11 Serzhan Ossenov

Machine Learning (ML) is accelerating the progress of materials prediction and classification, with particular success in CGNN designs. While classical ML methods remain accessible, advanced deep networks are still challenging to build and…

Other Condensed Matter · Physics 2025-02-04 Gavin Nop , Micah Mundy , Durga Paudyal , Jonathan Smith

The increasing capabilities of Machine Learning (ML) models go hand in hand with an immense amount of data and computational power required for training. Therefore, training is usually outsourced into HPC facilities, where we have started…

Machine Learning · Computer Science 2025-01-28 Sabrina Herbst , Vincenzo De Maio , Ivona Brandic

The reliability of machine learning (ML) software systems is heavily influenced by changes in data over time. For that reason, ML systems require regular maintenance, typically based on model retraining. However, retraining requires…

Machine Learning · Computer Science 2025-06-18 Lorena Poenaru-Olaru , June Sallou , Luis Cruz , Jan Rellermeyer , Arie van Deursen

Machine learning (ML) is redefining what is possible in data-intensive fields of science and engineering. However, applying ML to problems in the physical sciences comes with a unique set of challenges: scientists want physically…

Computational Physics · Physics 2020-07-06 Kathleen Champion , Peng Zheng , Aleksandr Y. Aravkin , Steven L. Brunton , J. Nathan Kutz

Data-driven techniques are increasingly used to replace electronic-structure calculations of matter. In this context, a relevant question is whether machine learning (ML) should be applied directly to predict the desired properties or be…

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…

This research develops and evaluates machine learning models to predict the mechanical properties of steel-polypropylene fiber-reinforced high-performance concrete (HPC). Three model families were investigated: Extra Trees with XGBoost…

Machine Learning · Computer Science 2025-12-29 Jagaran Chakma , Zhiguang Zhou , Badhan Chakma