arXiv Machine Learning By Qian Du, Mark M. Sullivan, James E. Saal, Florian Huber

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

Read the original on arXiv Machine Learning →

arXiv:2606. 00187v1 Announce Type: new Abstract: This study presents an iterative AI-guided workflow that accelerates graphite-based anode development by improving both formulation feasibility and process robustness.

Summary generated by The Flow from the publisher's feed. The full article lives at arXiv Machine Learning.

arXiv AI
1d ago

Data-knowledge dual-driven intelligent framework for full-chain, experiment-efficient synthesis of 2D dendrites

arXiv:2603. 16959v2 Announce Type: replace-cross Abstract: Exemplified by the chemical vapor deposition growth of two-dimensional dendrites, which has potential applications in catalysis and presents a parameter-intensive, data-scarce and reaction process-complex model problem, we devise a machine intelligence-empowered framework for the full chain support of material synthesis, encompassing rapid process optimization, accurate customized synthesis, and comprehensive mechanism deciphering.

By Wenqiang Huang, Xuhang Gu, Susu Fang, Shen'ao Xue, Huanhuan Xing, Junjie Jiang, Junying Zhang, Shen Zhou, Zheng Luo, Jin Zhang, Fangping Ouyang, Shanshan Wang
Hugging Face Trending Papers
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Chemical filters for ultra-high-throughput materials screening and generation

Generative artificial intelligence is rapidly transforming materials design by enabling de novo exploration of immense chemical spaces. Yet a large proportion of AI-generated compositions remain implausible, violating established chemical principles, which limits the reliability and interpretability of generative materials design.

arXiv Machine Learning
Jun 2

Towards Automated Discovery: A Review of Generative Models, Multimodal Learning and Closed-Loop Workflows in Inverse Materials Design

arXiv:2606. 02507v1 Announce Type: cross Abstract: Inverse materials design is shifting materials discovery from forward prediction to targeted proposal of candidates that satisfy objectives under physical constraints.

By Anand Babu, Rog\'erio Almeida Gouv\^ea, Gian-Marco Rignanese