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Developing advanced catalysts for acidic oxygen evolution reaction (OER) is crucial for sustainable hydrogen production. This study introduces a novel, multi-stage machine learning (ML) approach to streamline the discovery and optimization…

Materials Science · Physics 2024-07-09 Rui Ding , Jianguo Liu , Kang Hua , Xuebin Wang , Xiaoben Zhang , Minhua Shao , Yuxin Chen , Junhong Chen

Amorphous materials exhibit unique properties that make them suitable for various applications in science and technology, ranging from optical and electronic devices and solid-state batteries to protective coatings. However, data-driven…

Materials Science · Physics 2024-02-02 Hui Zheng , Eric Sivonxay , Max Gallant , Ziyao Luo , Matthew McDermott , Patrick Huck , Kristin A. Persson

Electrochemical interfaces are of fundamental importance in electrocatalysis, batteries, and metal corrosion. Finite-field methods are one of most reliable approaches for modeling electrochemical interfaces in complete cells under realistic…

Chemical Physics · Physics 2025-06-13 Chaoqiang Feng , Bin Jiang

In order to deploy machine learning in a real-world self-driving laboratory where data acquisition is costly and there are multiple competing design criteria, systems need to be able to intelligently sample while balancing performance…

Machine Learning · Computer Science 2023-04-18 Tyler H. Chang , Jakob R. Elias , Stefan M. Wild , Santanu Chaudhuri , Joseph A. Libera

Critical to the development of improved solid oxide fuel cell (SOFC) technology are novel compounds with high oxygen reduction reaction (ORR) catalytic activity and robust stability under cathode operating conditions. Approximately 2145…

Materials Science · Physics 2019-01-10 Ryan Jacobs , Tam Mayeshiba , John Booske , Dane Morgan

Despite advances in Reinforcement Learning, many sequential decision making tasks remain prohibitively expensive and impractical to learn. Recently, approaches that automatically generate reward functions from logical task specifications…

Artificial Intelligence · Computer Science 2023-04-12 Yash Shukla , Abhishek Kulkarni , Robert Wright , Alvaro Velasquez , Jivko Sinapov

Federated learning (FL) is an emerging machine learning (ML) paradigm that enables heterogeneous edge devices to collaboratively train ML models without revealing their raw data to a logically centralized server. However, beyond the…

Machine Learning · Computer Science 2023-10-03 Jiachen Liu , Fan Lai , Yinwei Dai , Aditya Akella , Harsha Madhyastha , Mosharaf Chowdhury

Traditional materials discovery approaches - relying primarily on laborious experiments - have controlled the pace of technology. Instead, computational approaches offer an accelerated path: high-throughput exploration and characterization…

Materials Science · Physics 2018-11-23 Corey Oses

Optimizing charging protocols is critical for reducing battery charging time and decelerating battery degradation in applications such as electric vehicles. Recently, reinforcement learning (RL) methods have been adopted for such purposes.…

Systems and Control · Electrical Eng. & Systems 2024-06-19 Myisha A. Chowdhury , Saif S. S. Al-Wahaibi , Qiugang Lu

In Continual Learning (CL), a neural network is trained on a stream of data whose distribution changes over time. In this context, the main problem is how to learn new information without forgetting old knowledge (i.e., Catastrophic…

The discovery and design of new materials are paramount in the development of green technologies. High entropy oxides represent one such group that has only been tentatively explored, mainly due to the inherent problem of navigating vast…

This paper introduces a \textit{Process-Guided Learning (Pril)} framework that integrates physical models with recurrent neural networks (RNNs) to enhance the prediction of dissolved oxygen (DO) concentrations in lakes, which is crucial for…

Machine Learning · Computer Science 2024-11-21 Runlong Yu , Chonghao Qiu , Robert Ladwig , Paul C. Hanson , Yiqun Xie , Yanhua Li , Xiaowei Jia

Continual reinforcement learning (RL) concerns agents that are expected to learn continually, rather than converge to a policy that is then fixed for evaluation. This setting is well-suited to environments that the agent perceives as…

Machine Learning · Computer Science 2026-03-10 Mohamed A. Mohamed , Kateryna Nekhomiazh , Vedant Vyas , Marcos M. Jose , Andrew Patterson , Marlos C. Machado

The growing integration of electric vehicle (EV) fleets into transportation services and energy systems requires accurate modeling of battery discharge and state-of-charge (SoC) evolution to ensure reliable vehicle operation and grid…

Systems and Control · Electrical Eng. & Systems 2026-03-03 Praharshitha Aryasomayajula , Ting Bai , Andreas A. Malikopoulos

Learning multiple tasks sequentially without forgetting previous knowledge, called Continual Learning(CL), remains a long-standing challenge for neural networks. Most existing methods rely on additional network capacity or data replay. In…

Machine Learning · Computer Science 2022-02-01 Hao Liu , Huaping Liu

Continual learning (CL) is a setting in which an agent has to learn from an incoming stream of data sequentially. CL performance evaluates the model's ability to continually learn and solve new problems with incremental available…

Machine Learning · Computer Science 2022-05-04 Josh Andle , Salimeh Yasaei Sekeh

This paper introduces, for the first time to our knowledge, physics-informed neural networks to accurately estimate the AC-OPF result and delivers rigorous guarantees about their performance. Power system operators, along with several other…

Systems and Control · Electrical Eng. & Systems 2022-07-29 Rahul Nellikkath , Spyros Chatzivasileiadis

Learning to optimize (L2O) parametric approximations of AC optimal power flow (AC-OPF) solutions offers the potential for fast, reusable decision-making in real-time power system operations. However, the inherent nonconvexity of AC-OPF…

Machine Learning · Computer Science 2025-11-18 Shimiao Li , Aaron Tuor , Draguna Vrabie , Larry Pileggi , Jan Drgona

Battery degradation significantly impacts the reliability and efficiency of energy storage systems, particularly in electric vehicles and industrial applications. Predicting the remaining useful life (RUL) of lithium-ion batteries is…

Signal Processing · Electrical Eng. & Systems 2026-05-12 Jingyuan Xue , Xiaozhen Zhao , Dongjing Jiang , Qingchong Jiao , Redouane EL Bouchtaoui , Jianfei Zhang

In this paper, we develop an online method that leverages machine learning to obtain feasible solutions to the AC optimal power flow (OPF) problem with negligible optimality gaps on extremely fast timescales (e.g., milliseconds), bypassing…

Machine Learning · Computer Science 2019-10-04 Ahmed Zamzam , Kyri Baker