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Hardly any other area of research has recently attracted as much attention as machine learning (ML) through the rapid advances in artificial intelligence (AI). This publication provides a short introduction to practical concepts and methods…

General Economics · Economics 2020-12-17 Ali R. Baghirzade

Machine learning (ML)-accelerated discovery requires large amounts of high-fidelity data to reveal predictive structure-property relationships. For many properties of interest in materials discovery, the challenging nature and high cost of…

Chemical Physics · Physics 2021-11-04 Aditya Nandy , Chenru Duan , Heather J. Kulik

Large language models (LLMs) have demonstrated rapid progress across a wide array of domains. Owing to the very large number of parameters and training data in LLMs, these models inherently encompass an expansive and comprehensive materials…

Materials Science · Physics 2024-11-20 Siyu Liu , Tongqi Wen , A. S. L. Subrahmanyam Pattamatta , David J. Srolovitz

In the presence of strong electronic spin correlations, the hyperfine interaction imparts long-range coupling between nuclear spins. Efficient protocols for the extraction of such complex information about electron correlations via magnetic…

Disordered Systems and Neural Networks · Physics 2023-05-10 Anantha Rao , Stephen Carr , Charles Snider , D. E. Feldman , Chandrasekhar Ramanathan , V. F. Mitrović

Machine learning has the potential to accelerate materials discovery by accurately predicting materials properties at a low computational cost. However, the model inputs remain a key stumbling block. Current methods typically use…

Computational Physics · Physics 2021-01-07 Rhys E. A. Goodall , Alpha A. Lee

The advent of Artificial intelligence has promising advantages that can be utilized to transform the landscape of software project development. The Software process framework consists of activities that constantly require routine human…

Software Engineering · Computer Science 2024-09-02 Mariyam Mahboob , Mohammed Rayyan Uddin Ahmed , Zoiba Zia , Mariam Shakeel Ali , Ayman Khaleel Ahmed

While the uptake of data-driven approaches for materials science and chemistry is at an exciting, early stage, to realise the true potential of machine learning models for successful scientific discovery, they must have qualities beyond…

Materials Science · Physics 2022-06-28 Felipe Oviedo , Juan Lavista Ferres , Tonio Buonassisi , Keith Butler

Machine learning has been pervasively touching many fields of science. Chemistry and materials science are no exception. While machine learning has been making a great impact, it is still not reaching its full potential or maturity. In this…

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

Artificial intelligence (AI) systems are becoming critical components of today's IT landscapes. Their resilience against attacks and other environmental influences needs to be ensured just like for other IT assets. Considering the…

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

Machine learning interatomic potentials have revolutionized complex materials design by enabling rapid exploration of material configurational spaces via crystal structure prediction with ab initio accuracy. However, critical challenges…

The brain is a remarkably capable and efficient system. It can process and store huge amounts of noisy and unstructured information using minimal energy. In contrast, current artificial intelligence (AI) systems require vast resources for…

Neural and Evolutionary Computing · Computer Science 2023-06-16 Michalis Pagkalos , Roman Makarov , Panayiota Poirazi

Intelligent soft matter stands at the intersection of materials science, physics, and cognitive science, promising to change how we design and interact with materials. This transformative field seeks to create materials that possess…

Due to the advancement in technologies, the next-generation wireless network will be very diverse, complicated, and according to the changed demands of the consumers. The current network operator methodologies and approaches are traditional…

Networking and Internet Architecture · Computer Science 2022-02-04 Wafeeq Iqbal , Wei Wang , Ting Zhu

Recent times are witnessing rapid development in machine learning algorithm systems, especially in reinforcement learning, natural language processing, computer and robot vision, image processing, speech, and emotional processing and…

While machine learning is traditionally a resource intensive task, embedded systems, autonomous navigation and the vision of the Internet-of-Things fuel the interest in resource efficient approaches. These approaches require a carefully…

Intelligence necessitates memory. Without memory, humans fail to perform various nontrivial tasks such as reading novels, playing games or solving maths. As the ultimate goal of machine learning is to derive intelligent systems that learn…

Machine Learning · Computer Science 2021-07-06 Hung Le

Artificial intelligence has made remarkable progress in handling complex tasks, thanks to advances in hardware acceleration and machine learning algorithms. However, to acquire more accurate outcomes and solve more complex issues,…

Machine Learning · Computer Science 2023-09-12 Mohammad Dehghani , Zahra Yazdanparast

Recent advances in machine-learning interatomic potentials have enabled the efficient modeling of complex atomistic systems with an accuracy that is comparable to that of conventional quantum mechanics based methods. At the same time, the…

Materials Science · Physics 2021-05-06 April M. Miksch , Tobias Morawietz , Johannes Kästner , Alexander Urban , Nongnuch Artrith