A Greener, Safer, and More Understandable AI for Natural Science and Technology

IF 2.3 4区 化学 Q1 SOCIAL WORK Journal of Chemometrics Pub Date : 2025-01-18 DOI:10.1002/cem.3643
Harald Martens
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Abstract

More rational, open-minded use of quantitative Big Data in Science and Technology is required for better real-world problem solving as well as for the stabilization of shared belief structures in society. Modern instrumentation gives informative but overwhelming data streams. A thermal video camera with suitable spatiotemporal subspace modeling allows us to detect surface temperature changes of, for example, engines, that can reveal something going on inside. An RGB video camera responds to both motions and color changes in nature, often with spatiotemporal change patterns that we can discover and describe mathematically, validate statistically, interpret graphically, and then use for sensible things. A hyperspectral Vis./NIR satellite camera with hundreds of wavelengths reveals changes in clouds and at each earth location, again and again. Today we know how to decode such overwhelming streams of high-dimensional data into physical and chemical causalities by minimalistic hybrid multivariate subspace models. We thereby combine prior knowledge with the ability to discover new, reliable variation patterns. Minimalistic subspace models handle such data. These “open-ended” multivariate linear hybrid models are computationally fast, statistically safe, and graphically understandable. The minimalistic subspace models are therefore suitable for both data modeling (based on multivariate measurements) and metamodeling (based on input–output simulation results for nonlinear mechanistic models' behavioral repertoire). That makes it easier to combine high-dimensional streams of real-world measurements and complicated, slow mechanistic models. Implemented as minimalistic foundation models with hierarchies of extended subspace models, this can form a basis for faster discovery and problem solving in Natural Science & Technology.

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为了更好地解决现实世界中的问题以及稳定社会中的共同信仰结构,需要在科学和技术领域更加合理、开放地使用定量大数据。现代仪器可提供翔实但庞大的数据流。一台红外热像仪配合适当的时空子空间建模,可以让我们检测到发动机等的表面温度变化,从而揭示内部发生的事情。RGB 摄像机能对自然界中的运动和颜色变化做出反应,通常具有时空变化模式,我们可以通过数学方法发现和描述这些模式,并通过统计学方法进行验证和图形解释,然后将其用于明智的事情。拥有数百个波长的高光谱可见光/近红外卫星照相机可以一次又一次地揭示云层和每个地球位置的变化。如今,我们已经知道如何通过简约的混合多变量子空间模型,将这些压倒性的高维数据流解码为物理和化学因果关系。这样,我们就能将先前的知识与发现新的、可靠的变化模式的能力结合起来。简约子空间模型可处理此类数据。这些 "开放式 "多变量线性混合模型计算速度快、统计安全、图形易懂。因此,简约子空间模型既适用于数据建模(基于多变量测量),也适用于元建模(基于非线性机械模型行为剧目的输入输出模拟结果)。这样就能更容易地将现实世界的高维测量数据流与复杂、缓慢的机理模型结合起来。作为具有扩展子空间模型层次的简约基础模型,这可以为自然科学与技术领域更快地发现和解决问题奠定基础。
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来源期刊
Journal of Chemometrics
Journal of Chemometrics 化学-分析化学
CiteScore
5.20
自引率
8.30%
发文量
78
审稿时长
2 months
期刊介绍: The Journal of Chemometrics is devoted to the rapid publication of original scientific papers, reviews and short communications on fundamental and applied aspects of chemometrics. It also provides a forum for the exchange of information on meetings and other news relevant to the growing community of scientists who are interested in chemometrics and its applications. Short, critical review papers are a particularly important feature of the journal, in view of the multidisciplinary readership at which it is aimed.
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