由神经网络驱动的拉曼光谱的代曲线匹配基线校正方法.
Sicen Dong1, Yuping Liu1,2, Hanxiang Yu1
1Key Laboratory of Photonic Material and Devices Physics for Oceanic Application, Ministry of Industry and Information Technology of China, College of Physics and Optoelectonic Engineering, Harbin Engineering University, Harbin, China.
Applied spectroscopy
|December 6, 2023
概括
一个新的神经网络模型通过将函数基础调整为基线趋势来提高拉曼光谱基线校正精度,优于传统的多项式拟合和惩罚最小平方方法.
科学领域:
- 频谱学是一种光谱学.
- 化学测量 化学测量 化学测量
- 机器学习 机器学习
背景情况:
- 基线校正对于精确的光谱分析至关重要,特别是在拉曼光谱学中.
- 像代多项式拟合这样的传统方法可能是不准确的,容易造成扭曲.
研究的目的:
- 开发一种更准确的基于神经网络的方法来进行光谱基线校正.
- 改进现有的多项式拟合和惩罚最小平方 (PLS) 方法的局限性.
主要方法:
- 一个新的神经网络模型被设计用于检测基线趋势.
- 该模型动态选择函数基础以准确的基线拟合,与固定的多项式方法不同.
- 开发了一种生成模拟数据以训练神经网络的方法.
主要成果:
- 拟议的神经网络模型证明了对杂的真实光谱数据的可靠基线校正.
- 该方法有效地处理具有不寻常形状的基线.
- 对比分析表明,这种方法超过了传统的代多项式拟合和自适的代重量化PLS.
结论:
- 神经网络模型在光谱基线校正准确度方面取得了重大进展.
- 这种方法为预处理具有挑战性的光谱数据提供了灵活而强大的替代方案.
- 该研究强调了机器学习在改进光谱分析技术方面的潜力.
更多相关视频
相关概念视频
Raman Spectroscopy: Overview
414
The underlying principle of Raman spectroscopy is based on the interaction between light and matter, specifically molecules' inelastic scattering of photons. When a monochromatic beam of light, typically from a laser source, interacts with a sample, most scattered light has the same frequency as the incident light. This is known as Rayleigh scattering.
However, a small fraction of the scattered light exhibits a frequency shift due to the exchange of energy between the incident photons and...
However, a small fraction of the scattered light exhibits a frequency shift due to the exchange of energy between the incident photons and...
414
Raman Spectroscopy Instrumentation: Overview
429
A conventional Raman spectrophotometer includes a laser source, a sample holding system, a wavelength selector, and a detector.
The monochromatic laser source, typically using visible or near-infrared radiation, generates a highly focused beam of light. This light interacts with the molecules of the sample, scattering some of the light. Liquid and gaseous samples are usually tested in ordinary glass capillaries, while solids can be analyzed as powders packed in capillaries or as potassium...
The monochromatic laser source, typically using visible or near-infrared radiation, generates a highly focused beam of light. This light interacts with the molecules of the sample, scattering some of the light. Liquid and gaseous samples are usually tested in ordinary glass capillaries, while solids can be analyzed as powders packed in capillaries or as potassium...
429
NMR Spectrometers: Resolution and Error Correction
700
When magnetic nuclei in a sample achieve resonance and undergo relaxation, the signal detected in NMR is an approximately exponential free induction decay. Fourier transform of an exponential decay yields a Lorentzian peak in the frequency domain. Lorentzian peaks in an NMR spectrum are defined by their amplitude, full width at half maximum, and position, where the peak width is governed by the spin-spin relaxation time alone. In real experiments, however, the applied magnetic field is rendered...
700
¹H NMR: Interpreting Distorted and Overlapping Signals
1.0K
Spin systems where the difference in chemical shifts of the coupled nuclei is greater than ten times J are called first-order spin systems. These nuclei are weakly coupled, and their chemical shifts and coupling constant can generally be estimated from the well-separated signals in the spectrum.
As Δν decreases and the signals move closer, the doublets appear increasingly distorted. The intensities of the inner lines increase at the cost of those of the outer lines as the signals are...
As Δν decreases and the signals move closer, the doublets appear increasingly distorted. The intensities of the inner lines increase at the cost of those of the outer lines as the signals are...
1.0K


