arXiv AI

EvoSim: Learning to Model, Modeling to Learn

EvoSim is a self‑evolving AI scientist that autonomously refines physics‑based models by using experimental discrepancies to revise mechanisms and equations, and by testing plausibility against held‑out data. It records exploration traces to update its knowledge, skills, and multi‑agent coordination, thereby improving both the models and its own modeling decisions. In two industrial battery tasks, EvoSim achieved a 1.79 % mean absolute error in predicting lithium‑metal‑plating onset and a 7.62 mV root‑mean‑square error in dynamic voltage prediction, outperforming human‑developed models and reducing physics errors by about 36 %.

arXiv Machine Learning
Jul 21

Bridging battery design and health assessment through virtual sensing and physics-informed learning

arXiv:2607. 16864v1 Announce Type: new Abstract: Supercharging of lithium-ion batteries (LiBs) requires robust health monitoring to ensure durability, safety, and user confidence, particularly for emerging vehicle-to-grid applications with bidirectional energy flows.

By Wendi Guo, S{\o}ren Byg Vilsen, Daniel Ioan Stroe, Yaqi Li, Yicun Huang, Ashima Verma, Daniel Brandell
arXiv AI
Aug 28

Large Models for Battery Prognostics and Health Management: A Review and Future Roadmap

The article reviews how Large Models (LMs) based on Transformer architectures and self‑supervised pre‑training can address longstanding challenges in Battery Prognostics and Health Management (BPHM). It surveys LM applications across data scarcity, generalization, interpretability, and system automation, and outlines a roadmap for future research, including collaborative data ecosystems, validation, trustworthiness, and efficient deployment. The review aims to guide researchers and practitioners in developing next‑generation battery management systems that are safe, reliable, and autonomous throughout battery lifecycles.

By Jiale Liu, Huan Wang, Weicheng Wang, Rong Zhu, Qiqi Wang, Min Xie
arXiv Machine Learning
Aug 18

Real-Time State-of-Health Estimation and Online Degradation Prognosis from Partial Battery Discharge Using Physics-Informed Neural Networks

arXiv:2608. 14764v1 Announce Type: new Abstract: With the increasing integration of renewable energy sources, energy storage systems have become essential, making the accurate estimation of their State of Health (SOH) and degradation behavior critical.

By Bego\~na Ispizua, Serio Gil-L\'opez, Leire Arrizabalaga, Ibai La\~na
arXiv AI
Oct 2

Atoms to Processes: The Role of Artificial Intelligence and Machine Learning in Chemical Engineering

The article discusses how the rapid development of artificial intelligence (AI) and machine learning (ML) is transforming chemical engineering by influencing problem formulation, analysis, and solution across a wide range of applications, from atomic-scale simulations to industrial operations. It highlights recent methodological advances and representative uses, noting a shift from purely black-box models to hybrid and physics-informed frameworks that incorporate conservation laws, thermodynamic consistency, and structural constraints. These integrated approaches enhance robustness, reliability, and human-AI collaboration, ultimately amplifying rather than replacing core chemical engineering principles.

By Michael Baldea, Linda J. Broadbelt, Marianthi G. Ierapetritou, Akhilesh Jain, Ankur Kumar, Thomas A. Kwan, F\`elix Llovell, Andrew J. Medford, Ilias Mitrai, Joel Paulson, Junyi Qiao, Matthew P. Rivera, Kirti C. Sahu, Lev Sarkisov, Zachary P. Smith, Calvin Tsay, Ching-Mei Wen, Victor M. Zavala, Huacheng Zhang, Dan Zhao
arXiv Machine Learning
Sep 1

AutoREC: A reinforcement learning platform for equivalent circuit model generation

AutoREC is an open‑source Python platform that uses reinforcement learning to automatically generate equivalent circuit models (ECMs) from electrochemical impedance spectroscopy (EIS) data. The platform frames ECM generation as a Markov decision process, training a Double Deep Q‑Network agent that iteratively modifies circuit topologies based on state, actions, and model feedback. It supports end‑to‑end workflows—including EIS preprocessing, agent training, ECM generation, and visualization—and has been demonstrated on synthetic datasets and real experimental spectra from batteries, corrosion, oxygen evolution, and CO₂ reduction systems.

By Ali Jaberi (Clean Energy Innovation Research Centre, National Research Council Canada, Mississauga, ON, Canada), Yonatan Kurniawan (Department of Materials Science and Engineering, University of Toronto, Toronto, ON, Canada), Robert Black (Clean Energy Innovation Research Centre, National Research Council Canada, Mississauga, ON, Canada), Shayan Mousavi M. (Clean Energy Innovation Research Centre, National Research Council Canada, Mississauga, ON, Canada), Kabir Verma (Cheriton School of Computer Science, University of Waterloo, Waterloo, ON, Canada), Zoya Sadighi (Clean Energy Innovation Research Centre, National Research Council Canada, Mississauga, ON, Canada), Santiago Miret (Lila Sciences, San Francisco, CA, USA), Jason Hattrick-Simpers (Department of Materials Science and Engineering, University of Toronto, Toronto, ON, Canada)