现代智能光谱分析技术的演进、进展及展望OA
Evolution,Progress,and Prospects of Modern Intelligent Spectroscopy Analysis Technologies
现代智能光谱分析技术以光谱仪器为载体,通过智能算法与系统集成,实现对物质组成与性质的快速、无损、在线或现场分析.本文系统梳理了该技术从化学计量学驱动的范式突破、硬件与算法协同的体系构建到与人工智能深度融合的演进脉络,揭示了其从单一测量工具向智能分析系统转型的内在逻辑.重点探讨了现代光谱技术与传统湿化学分析在多层次的协同关系,二者并非简单的替代,而是在校准溯源、快检协同、效率重构及工业融合等维度形成了深度互补的共生体系.在此基础上,从光谱机理认知、样品体系表征、全场景光谱采集、建模评价与标准化以及消费级产品演进等维度,剖析了技术发展中的关键问题与前沿探索.当前该领域在模型可解释性、高维数据知识提炼、工程化集成及规模化应用等方面仍面临显著挑战.未来发展趋势将呈现从数据拟合转向知识创造、从独立仪器融入智能生态、从封闭工具演进为开放平台的路径,并通过硬件创新与标准化建设协同推动技术生态的持续发展,使现代智能光谱分析逐步成为嵌入科学研究、工业生产与日常应用的重要基础设施与创新引擎.
Modern intelligent spectroscopy analytical technology employs spectroscopic instruments as carriers,integrating intelligent algorithms with system-level integration to achieve rapid,non-destructive,on-line or in-situ analysis of material composition and properties.This paper systematically reviewed the evolutionary trajectory of this technology,from the chemometrics-driven paradigm breakthrough,through the phase of hardware-algorithm collaborative system construction,to its current stage of deep integration with artificial intelligence,revealing the inherent logic of its transformation from a single measurement tool into an intelligent analytical system.It focused on exploring the multi-level synergistic relationship between modern spectroscopy and traditional wet chemistry,arguing that the two were not simply in a substitutional relationship but have formed a deeply complementary symbiotic system across dimensions such as calibration traceability,rapid screening synergy,efficiency restructuring,and industrial integration.Building on this foundation,key challenges and frontier explorations in technological development were analyzed from multiple perspectives,including the understanding of spectral mechanisms,sample system characterization,full-scenario spectral acquisition,modeling evaluation and standardization,and the evolution towards consumer-grade products.The field currently still faced significant challenges in areas such as model interpretability,knowledge extraction from high-dimensional data,engineering integration,and large-scale deployment.Future trends will transition from data fitting to knowledge creation,from standalone instruments to integration within intelligent ecosystems,and from closed tools to open platforms.Through coordinated advancements in hardware innovation and standardization,this will drive the sustainable development of the technological ecosystem,gradually establishing modern intelligent spectroscopy as a foundational infrastructure and innovation engine embedded within scientific research,industrial production,and daily applications.
李伟俊;褚小立;陈瀑;李敬岩;许育鹏;刘丹
中石化石油化工科学研究院有限公司,北京 100083中石化石油化工科学研究院有限公司,北京 100083中石化石油化工科学研究院有限公司,北京 100083中石化石油化工科学研究院有限公司,北京 100083中石化石油化工科学研究院有限公司,北京 100083中石化石油化工科学研究院有限公司,北京 100083
化学化工
现代智能光谱分析技术化学计量学人工智能近红外光谱拉曼光谱
modern intelligent spectroscopy analysischemometricsartificial intelligencenear-infrared spectroscopyRaman spectroscopy
《化学试剂》 2026 (9)
63-76,14
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