arXiv Machine Learning

Computational references are not experiments: pre-registered validation of machine-learned sodium-cathode voltages

arXiv:2606. 23725v1 Announce Type: cross Abstract: Machine-learning screens for battery materials are trained and judged almost entirely against computed reference voltages, and those references carry their own systematic errors.

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 Machine Learning
Aug 4

When May a Model Replace the Experiment? Audits, Licenses, and the Price of Trust in Surrogate-Driven Design

arXiv:2608. 01378v1 Announce Type: new Abstract: Design campaigns in chemistry, materials science, and machine learning share a bottleneck: determining how good a candidate truly is requires an expensive evaluation - an experiment, a first-principles simulation, or a full training run.

By Shuangxiu (Max), Ma (Zachary), Wenhe (Zachary), Zhao