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

综述详述用于逆向材料设计的AI模型

作者 PulseAugur 编辑部 · [2 个来源] · 2026-06-01 17:20

一篇新的综述论文详述了在逆向材料设计中使用生成模型和多模态学习的进展。文章涵盖了各种生成模型类别，如VAE、归一化流和扩散模型，并强调了如何将物理约束集成到设计工作流中。该论文还探讨了融合不同数据模态如何创建更通用的化学空间表示，并讨论了优化逆向设计的策略，以及常见的失败模式和评估实践。 AI

排序理由该聚类包含一篇关于研究主题的综述论文。

AI 生成摘要 · Google Gemini · 来自 2 个来源。我们如何撰写摘要 →

报道来源 [2]

arXiv cs.LG TIER_1 English(EN) · Anand Babu, Rog\'erio Almeida Gouv\^ea, Gian-Marco Rignanese · 2026-06-02 04:00

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. Here, we review recent advances in generative crystal structur…
arXiv cs.LG TIER_1 English(EN) · Gian-Marco Rignanese · 2026-06-01 17:20

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

Inverse materials design is shifting materials discovery from forward prediction to targeted proposal of candidates that satisfy objectives under physical constraints. Here, we review recent advances in generative crystal structure modeling, multimodal learning, and closed-loop d…