MLINFO COLLECTION

Materials Informatics

材料探索、分子・結晶、化学、製造プロセス最適化に応用しやすいAI技術を集めます。

記事一覧

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arxiv実装リンクあり

AI Mindmeld: A Latent Interconnect Protocol

LLMs can act as scientific agents using tools to consult specialists and run experiments. Yet specialist information must enter their context, generally as text, images, audio or video: a bottleneck…

nlp
arxiv

Framework-Conditional Open Materials Generation

Theoretical predictions of novel materials rely on a variety of techniques, from data-mining-based ion substitution methods to fully de novo generative models. Each approach imposes specific…

nlp
arxiv

Cost-based variable selection for prediction models

Objective: Variable selection for clinical prediction models is commonly done on statistical grounds related to model fit. Statistical approaches ignore the cost of misclassifications and the harm of…

machine-learning
arxiv

PAPERBENCHX: Can AI Reproduce Science Across Disciplines?

Before AI can be trusted to discover new science, it should be able to reproduce what science already knows. Reproduction provides a rigorous checkpoint for an AI scientist: the target claim is…

reinforcement-learning