2050 年的光子数据分析

IF 2.7 3区 化学 Q2 CHEMISTRY, ANALYTICAL Vibrational Spectroscopy Pub Date : 2024-03-22 DOI:10.1016/j.vibspec.2024.103685
Oleg Ryabchykov , Shuxia Guo , Thomas Bocklitz
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引用次数: 0

摘要

光子数据分析是成像、光谱学、机器学习和计算机科学的交叉领域。数据类型和应用场景的多样性要求应用方法的灵活性,需要结合从经典化学计量学技术到最先进的深度学习解决方案等各种计算方法。要加快光子数据科学的发展,需要开展跨学科和国际合作。需要建立基础数据基础设施并实现标准化,以便为数据可比性研究提供合作平台,从而将新型光子技术整合到常规应用中。研究的问题日益复杂,需要应用更复杂的数据驱动模型,而这些模型可能只能针对大型数据集进行优化。遗憾的是,处于开发初期的新型技术很少能提供足以建立可推广的复杂模型的测量样本变异性。为了克服这一问题,将出现最先进的方法来处理极其有限或不平衡的数据,以及处理设备与设备之间的变化。预计可计算的人工智能方法也将进一步发展,这将使任何结构的模型都能通过与研究人员的知识进行比较而得到验证。
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Photonic data analysis in 2050

Photonic data analysis is a field at the intersection of imaging, spectroscopy, machine learning, and computer science. The diversity of both data types and application scenarios requires flexibility in the methods applied, combining a full range of computational methods, from classical chemometric techniques to state-of-the-art deep learning solutions. Interdisciplinary and international collaborations are needed to accelerate the progress of photonic data science. An underlying data infrastructure and standardization will be needed to provide collaborative platforms for research on data comparability, enabling the integration of novel photonic techniques into routine applications. The increasing complexity of the questions being investigated requires the application of more sophisticated data-driven models, which may only be optimized for large data sets. Unfortunately, novel techniques in the early stages of development can rarely provide a variability of measured samples sufficient to build a generalizable complex model. To overcome this problem, state-of-the-art methods will emerge for working with extremely limited or unbalanced data, as well as for dealing with device-to-device variations. Further developments are also foreseen in computable artificial intelligence methods, which will allow the validation of models of any architecture by comparing them with the knowledge of the researchers.

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来源期刊
Vibrational Spectroscopy
Vibrational Spectroscopy 化学-分析化学
CiteScore
4.70
自引率
4.00%
发文量
103
审稿时长
52 days
期刊介绍: Vibrational Spectroscopy provides a vehicle for the publication of original research that focuses on vibrational spectroscopy. This covers infrared, near-infrared and Raman spectroscopies and publishes papers dealing with developments in applications, theory, techniques and instrumentation. The topics covered by the journal include: Sampling techniques, Vibrational spectroscopy coupled with separation techniques, Instrumentation (Fourier transform, conventional and laser based), Data manipulation, Spectra-structure correlation and group frequencies. The application areas covered include: Analytical chemistry, Bio-organic and bio-inorganic chemistry, Organic chemistry, Inorganic chemistry, Catalysis, Environmental science, Industrial chemistry, Materials science, Physical chemistry, Polymer science, Process control, Specialized problem solving.
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