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Machine learning (ML) is a subfield of artificial intelligence. The term applies broadly to a collection of computational algorithms and techniques that train systems from raw data rather than a priori models. ML techniques are now…
High-throughput data generation methods and machine learning (ML) algorithms have given rise to a new era of computational materials science by learning relationships among composition, structure, and properties and by exploiting such…
Incorporation of machine learning (ML) techniques into atomic-scale modeling has proven to be an extremely effective strategy to improve the accuracy and reduce the computational cost of simulations. It also entails conceptual and practical…
Electrospinning is a scalable technique for producing fibrous scaffolds with tunable micro- and nanoscale architectures for applications in tissue engineering, drug delivery, and wound care. While machine learning (ML) has been used to…
The increasing demands of sustainable energy, electronics, and biomedical applications call for next-generation functional materials with unprecedented properties. Of particular interest are emerging materials that display exceptional…
Machine learning (ML) models that achieve high average accuracy can still underperform on semantically coherent subsets ("slices") of data. This behavior can have significant societal consequences for the safety or bias of the model in…
Machine learning (ML) course for undergraduates face challenges in assessing student learning and providing practical exposure. Group project-based learning, an increasingly popular form of experiential learning in CS education, encounters…
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…
The scanning transmission electron microscope, a workhorse instrument in materials characterization, is being transformed into an atomic-scale material manipulation platform. With an eye on the trajectory of recent developments and the…
Companies are using machine learning to solve real-world problems and are developing hundreds to thousands of features in the process. They are building feature engineering pipelines as part of MLOps life cycle to transform data from…
Data collection and labeling are critical bottlenecks in the deployment of machine learning applications. With the increasing complexity and diversity of applications, the need for efficient and scalable data collection and labeling…
Machine learning (ML) has become a commodity in our every-day lives. We routinely ask ML empowered smartphones to suggest lovely food places or to guide us through a strange place. ML methods have also become standard tools in many fields…
Datasets play a critical role in medical imaging research, yet issues such as label quality, shortcuts, and metadata are often overlooked. This lack of attention may harm the generalizability of algorithms and, consequently, negatively…
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…
Success of machine learning (ML) in the modern world is largely determined by abundance of data. However at many industrial and scientific problems, amount of data is limited. Application of ML methods to data-scarce scientific problems can…
Across almost all scientific disciplines, the instruments that record our experimental data and the methods required for storage and data analysis are rapidly increasing in complexity. This gives rise to the need for scientific communities…
Sampling one or more effective solutions from large search spaces is a recurring idea in machine learning, and sequential optimization has become a popular solution. Typical examples include data summarization, sample mining for predictive…
Machine learning interatomic potentials (MLIPs) balance high accuracy and lower costs compared to density functional theory calculations, but their performance often depends on the size and diversity of training datasets. Large datasets…
Recent developments in machine learning interatomic potentials (MLIPs) have empowered even non-experts in machine learning to train MLIPs for accelerating materials simulations. However, the current literature lacks clear standards for…
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,…