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
1d ago

Are We Recovering Mechanisms? Objective-Level Recovery Gaps in Mechanistic Interpretability

The paper investigates mechanistic interpretability, focusing on how automated circuit discovery is evaluated. It shows that the commonly used faithfulness objective can favor circuits that reproduce a model’s behavior poorly, creating an objective-level recovery gap. Experiments on four human-reference tasks and InterpBench reveal that many discovery methods misrank candidate circuits, and that restoring excluded signals can correct most of these misrankings without altering the circuits’ behavior.

By Chuqin Geng, Li Zhang, Haolin Ye, Mark Zhang, Luke Zhang, Xujie Si
arXiv AI
Sep 24

Validation and Simulation Catch Different Errors: Four Levels of Evaluation for LLM-Generated Circuits

The paper introduces four distinct evaluation levels—schema validity, topological validity, backend executability, and component‑set agreement—to assess large language model‑generated electrical circuits. Using a 150‑circuit trilingual benchmark and a typed circuit interchange pipeline, the authors show that each level captures errors missed by the others, with significant discrepancies observed between validator rejections and ngspice execution outcomes. A repair study further demonstrates that targeted model adjustments can markedly improve topological validity while having mixed effects on executability and component agreement.

By Ali Hedayati Pirouzan
arXiv Machine Learning
Aug 27

A Hierarchical Synergistic Deep Learning Framework Integrating Composition, Structure, and Ionic Transport for Solid-State Electrolyte Discovery

The paper presents a hierarchical deep‑learning framework that integrates compositional, structural, and transport models to screen solid‑state electrolytes. Four modules—L‑G‑DCNN, DenseGNN, MatterSim, and DeePMD—coordinate to evaluate thermodynamics, multi‑property performance, and kinetic transport, outperforming existing methods. Applied to over 30 million candidates, the workflow identifies 97 high‑performance materials, mainly halides, and links Li⁺ jump‑network connectivity to ionic conductivity while highlighting limits for oxide electrolytes.

By Hongwei Du, Dingyang Lv, Baole Wei, Yongheng Li, Feng Yu, Ziheng Lu, Siqi Shi, Hong Wang
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