arXiv:2605.21083physics.app-phcs.LG2026-05

构建AI原生平台,打通材料与生物医学数据链路。

AIMBio-Mat: An AI-Native FAIR Platform for Closed-Loop Materials Discovery and Biomedical Translation

  • 以FAIR原则构建跨领域决策层,融合知识图谱与不确定性学习。
  • 提出多目标优化框架,支持纳米药物递送的闭环发现。
  • 适合材料与生物医药交叉研究者,推动可审计的转化研究。

材料发现与生物医学转化日益需要能跨成分、加工、结构、生物响应、可制造性、安全性和治理约束进行推理的模型。现有材料与生物医学数据生态虽强大,但缺乏有效耦合以支持AI驱动的发现。本文提出AIMBio框架,作为AI原生、符合FAIR原则且具备治理意识的决策层,连接材料溯源、生物医学背景、知识图谱、不确定性感知机器学习及人机协同主动学习。该框架将生物医学-材料发现建模为不确定条件下的约束多目标优化问题,并提出元数据、模型文档、分层治理、评估指标与分阶段实施等实际要求。为使路线图可测试,补充最小可行原型规格及一个关于人工智能引导的纳米药物递送的试点案例。AIMBio定位为探索性与临床前发现基础设施,不作为临床决策支持软件;任何临床或受监管设备应用需单独验证、变更控制和监管审查。核心贡献是发布一份可发表的平台蓝图,将分散的材料与生物医学记录转化为可审计、实验可操作、可转化负责任的发现流程。

原文摘要 · Abstract (English)

Materials discovery and biomedical translation increasingly require models that can reason across composition, processing, structure, biological response, manufacturability, safety, and governance constraints. Existing materials and biomedical data ecosystems are powerful but remain poorly coupled for AI-guided discovery. Here we present AIMBio, a conceptual framework for an AI-native, FAIR, and governance-aware decision layer that links materials provenance, biomedical context, knowledge graphs, uncertainty-aware machine learning, and human-in-the-loop active learning. The framework formulates biomedical-materials discovery as constrained multi-objective optimization under uncertainty and introduces practical requirements for metadata, model documentation, risk-tiered governance, evaluation metrics, and phased implementation. To make the roadmap testable, we add a minimum viable prototype specification and a worked pilot for AI-guided nanomaterials for drug delivery. AIMBio is positioned as exploratory and preclinical discovery infrastructure, not as clinical decision-support software; any clinical or regulated-device use would require separate validation, change control, and regulatory review. The central contribution is a publishable platform blueprint for converting fragmented materials and biomedical records into auditable, experimentally actionable, and translationally responsible discovery workflows.

材料发现AI平台生物医学知识图谱

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