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Paper · arXiv

AI-Guided Design and Optimization of Graphite-Based Anodes via Iterative Experimental Feedback

This study presents an iterative AI-guided workflow that accelerates graphite-based anode development by improving both formulation feasibility and process robustness. Sequential learning via AI/ML-guided multiobjective inverse design for anode optimization was implemented using the Citrine Platform. Starting from a noisy, incomplete dataset, the Citrine Platform was used to generate early surrogate models, which despite low predictive certainty highlighted missing process constraints. By iteratively adding feasibility labels and boundary condition failures, the workflow rapidly converged toward manufacturable, higher-performing formulations. Fabrication reliability improved from frequent...

AuthorsQian Du, Mark M. Sullivan, James E. Saal et al.
Primary categorycs.LG
Published29 May 2026
Last updated at source29 May 2026
cs.LGcond-mat.mtrl-sci
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