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Innovations in batteries take years to formulate and commercialize, requiring extensive experimentation during the design and optimization phases. We approached the design and selection of a battery electrolyte through a black-box…

Humans and animals learn throughout their lives from limited amounts of sensed data, both with and without supervision. Autonomous, intelligent robots of the future are often expected to do the same. The existing continual learning (CL)…

Machine Learning · Computer Science 2024-04-02 Elvin Hajizada , Balachandran Swaminathan , Yulia Sandamirskaya

Solid-state electrolyte batteries are expected to replace liquid electrolyte lithium-ion batteries in the near future thanks to their higher theoretical energy density and improved safety. However, their adoption is currently hindered by…

The efficiency of active learning (AL) approaches to identify materials with desired properties relies on the knowledge of a few parameters describing the property. However, these parameters are unknown if the property is governed by a high…

Materials Science · Physics 2024-12-10 Akhil S. Nair , Lucas Foppa , Matthias Scheffler

This paper studies optimization proxies, machine learning (ML) models trained to efficiently predict optimal solutions for AC Optimal Power Flow (ACOPF) problems. While promising, optimization proxy performance heavily depends on training…

Machine Learning · Computer Science 2025-11-11 Miao Li , Michael Klamkin , Pascal Van Hentenryck , Wenting Li , Russell Bent

Fast and reliable validation of novel designs in complex physical systems such as batteries is critical to accelerating technological innovation. However, battery research and development remain bottlenecked by the prohibitively high time…

Machine Learning · Computer Science 2025-09-26 Jiawei Zhang , Yifei Zhang , Baozhao Yi , Yao Ren , Qi Jiao , Hanyu Bai , Weiran Jiang , Ziyou Song

Reinforcement learning (RL) excels in various applications but struggles in dynamic environments where the underlying Markov decision process evolves. Continual reinforcement learning (CRL) enables RL agents to continually learn and adapt…

Machine Learning · Computer Science 2025-12-23 Xue Yang , Michael Schukat , Junlin Lu , Patrick Mannion , Karl Mason , Enda Howley

A vital aspect in energy storage planning and operation is to accurately model its operational cost, which mainly comes from the battery cell degradation. Battery degradation can be viewed as a complex material fatigue process that based on…

Optimization and Control · Mathematics 2017-04-07 Yuanyuan Shi , Bolun Xu , Yushi Tan , Baosen Zhang

At the heart of power system operations, alternating current optimal power flow (ACOPF) studies the generation of electric power in the most economical way under network-wide load requirement, and can be formulated as a highly structured…

Optimization and Control · Mathematics 2024-01-17 Sihan Zeng , Youngdae Kim , Yuxuan Ren , Kibaek Kim

This paper shows how data-driven machine learning approaches can improve growth control, reproducibility, and physical insight in the pulsed laser deposition (PLD) growth of correlated oxides. Despite well-known relationships between growth…

Continual Learning (CL) aims to develop agents emulating the human ability to sequentially learn new tasks while being able to retain knowledge obtained from past experiences. In this paper, we introduce the novel problem of…

Computer Vision and Pattern Recognition · Computer Science 2022-01-13 Enrico Fini , Stéphane Lathuilière , Enver Sangineto , Moin Nabi , Elisa Ricci

Energy storage devices, such as batteries, thermal energy storages, and hydrogen systems, can help mitigate climate change by ensuring a more stable and sustainable power supply. To maximize the effectiveness of such energy storage,…

Machine Learning · Computer Science 2024-05-21 Jaeik Jeong , Tai-Yeon Ku , Wan-Ki Park

Structural prediction for the discovery of novel materials is a long sought after goal of computational physics and materials sciences. The success is rather limited for methods such as the simulated annealing method (SA) that require…

Materials Science · Physics 2023-02-08 Chuannan Li , Hanpu Liang , Yifeng Duan , Zijing Lin

Neural operators generally demonstrate strong predictive performance on in-distribution (ID) problems. However, a critical limitation of existing methods is their significant performance degradation when encountering out-of-distribution…

Machine Learning · Computer Science 2026-05-07 Yizheng Wang , Mohammad Sadegh Eshaghi , Xiaoying Zhuang , Timon Rabczuk , Yinghua Liu

The discovery of new energetic materials is critical for advancing technologies from defense to private industry. However, experimental approaches remain slow and expensive while computational alternatives require accurate material property…

Machine learning has emerged as a potent computational tool for expediting research and development in solid oxide fuel cell electrodes. The effective application of machine learning for performance prediction requires transforming…

Materials Science · Physics 2025-03-19 Maksym Szemer , Szymon Buchaniec , Tomasz Prokop , Grzegorz Brus

The global push to advance Carbon Capture and Sequestration initiatives and green energy solutions, such as geothermal, have thrust new demands upon the current state-of-the-art subsurface fluid simulators. The requirement to be able to…

Machine Learning · Computer Science 2023-07-04 Surya T. Sathujoda , Soham M. Sheth

Machine learning approaches, enabled by the emergence of comprehensive databases of materials properties, are becoming a fruitful direction for materials analysis. As a result, a plethora of models have been constructed and trained on…

Electrochemical devices (batteries, fuel cells, and electrolyzers) are in full development, driven by the green energy transition. Their real-time control requires ms predictions in order to take critical decisions during fast transients or…

Applied Physics · Physics 2026-01-27 Remus Teodorescu , Yusheng Zheng , Yi Zhuang , Dominic Karnehm , Javid Beyrami

Rechargeable lithium-ion (Li-ion) batteries are a ubiquitous element of modern technology. In the last decades, the production and design of such batteries and their adjacent embedded charging and safety protocols, denoted by Battery…

Systems and Control · Electrical Eng. & Systems 2025-09-09 Rudi Coppola , Hovsep Touloujian , Pierfrancesco Ombrini , Manuel Mazo