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Microstructure--property relationships are key to effective design of structural materials for advanced applications. Advances in computational methods enabled modeling microstructure-sensitive properties using 3D models (e.g., finite…

Materials Science · Physics 2023-03-20 Guangyu Hu , Marat I. Latypov

Machine learning is essentially the sciences of playing with data. An adaptive data selection strategy, enabling to dynamically choose different data at various training stages, can reach a more effective model in a more efficient way. In…

Machine Learning · Computer Science 2017-03-01 Yang Fan , Fei Tian , Tao Qin , Jiang Bian , Tie-Yan Liu

Herein we review aspects of leading-edge research and innovation in chemistry which exploits big data and machine learning (ML), two computer science fields that combine to yield machine intelligence. ML can accelerate the solution of…

Biodiversity research requires complete and detailed information to study ecosystem dynamics at different scales. Employing data-driven methods like Machine Learning is getting traction in ecology and more specific biodiversity, offering…

Quantitative Methods · Quantitative Biology 2025-10-27 Stylianos Stasinos , Martino Mensio , Elena Lazovik , Athanasios Trantas

Federated Learning is a distributed machine learning approach that enables geographically distributed data silos to collaboratively learn a joint machine learning model without sharing data. Most of the existing work operates on…

Machine Learning · Computer Science 2023-05-17 Dimitris Stripelis , Jose Luis Ambite

The machine learning community currently has no standardized process for documenting datasets, which can lead to severe consequences in high-stakes domains. To address this gap, we propose datasheets for datasets. In the electronics…

The true power of computational research typically can lay in either what it accomplishes or what it enables others to accomplish. In this work, both avenues are simultaneously embraced across several distinct efforts existing at three…

Materials Science · Physics 2024-11-06 Adam M. Krajewski

The digitalisation of research requires data management systems capable of supporting a broad spectrum of usage scenarios, ranging from document-oriented repositories to fully factographic environments. This paper introduces a…

Digital Libraries · Computer Science 2025-10-22 Victor Dudarev , Alfred Ludwig

In machine learning (ML), efficient asset management, including ML models, datasets, algorithms, and tools, is vital for resource optimization, consistent performance, and a streamlined development lifecycle. This enables quicker…

Software Engineering · Computer Science 2024-06-19 Zhimin Zhao , Yihao Chen , Abdul Ali Bangash , Bram Adams , Ahmed E. Hassan

Nowadays it is inevitable to use intelligent systems to improve the performance and optimization of different components of devices or factories. Furthermore, it's so essential to have appropriate predictions to make better decisions in…

Artificial Intelligence · Computer Science 2021-01-01 Ashkan Yousefi Zadeh , Meysam Shahbazy

The "Workshop on Machine learning in heterogeneous porous materials" brought together international scientific communities of applied mathematics, porous media, and material sciences with experts in the areas of heterogeneous materials,…

The sustainability of Machine Learning-Enabled Systems (MLS), particularly with regard to energy efficiency, is an important challenge in their development and deployment. Self-adaptation techniques, recognized for their potential in energy…

Software Engineering · Computer Science 2024-04-18 Meghana Tedla , Shubham Kulkarni , Karthik Vaidhyanathan

Universal Machine Learning Interactomic Potentials (MLIPs) enable accelerated simulations for materials discovery. However, current research efforts fail to impactfully utilize MLIPs due to: 1. Overreliance on Density Functional Theory…

Materials Science · Physics 2025-02-07 Santiago Miret , Kin Long Kelvin Lee , Carmelo Gonzales , Sajid Mannan , N. M. Anoop Krishnan

Recent advances in distributed learning raise environmental concerns due to the large energy needed to train and move data to/from data centers. Novel paradigms, such as federated learning (FL), are suitable for decentralized model training…

Machine Learning · Computer Science 2021-11-15 Stefano Savazzi , Sanaz Kianoush , Vittorio Rampa , Mehdi Bennis

Machine learning was utilized to efficiently boost the development of soft magnetic materials. The design process includes building a database composed of published experimental results, applying machine learning methods on the database,…

Machine learning techniques are being increasingly used as flexible non-linear fitting and prediction tools in the physical sciences. Fitting functions that exhibit multiple solutions as local minima can be analysed in terms of the…

Machine learning algorithms have become indispensable in today's world. They support and accelerate the way we make decisions based on the data at hand. This acceleration means that data structures that were valid at one moment could no…

Machine Learning · Computer Science 2025-02-11 Cedric Kulbach , Lucas Cazzonelli , Hoang-Anh Ngo , Minh-Huong Le-Nguyen , Albert Bifet

Deep decarbonization of the energy sector will require massive penetration of stochastic renewable energy resources and an enormous amount of grid asset coordination; this represents a challenging paradigm for the power system operators who…

Systems and Control · Electrical Eng. & Systems 2022-07-15 Jochen Stiasny , Samuel Chevalier , Rahul Nellikkath , Brynjar Sævarsson , Spyros Chatzivasileiadis

In this study, we present a sophisticated hybrid machine-learning framework that significantly improves the accuracy of predicting hydrogen storage capacities in metal hydrides. This is a critical challenge due to the scarcity of…

Materials Science · Physics 2024-08-29 Satadeep Bhattacharjee , Pritam Das , Swetarekha Ram , Seung-Cheol Lee

Data driven materials discovery and optimization requires databases that are error free and experimentally verified. Performing material measurements are time-consuming and often restricted by the fact that material sample preparations are…

Materials Science · Physics 2020-03-30 Ning Liu , Achintha Ihalage , Hangfeng Zhang , Henry Giddens , Haixue Yan , Yang Hao