一种可靠的轮检测方法用于飞行学分析,具有全面的二维气色谱,利用图像分类和实例细分来利用图像分类和实例细分
Chuanlin Wang1, Sifan Luo2, Juan Li3
1Department of Pharmaceutical Engineering, School of Chemical Engineering, Xiangtan University, Xiangtan, 411105, People's Republic of China.
本研究引入了一种混合深度学习框架,以改善全面二维气色谱 (GC×GC) 分析中的轮检测. 该方法准确地识别和分割重叠的轮,减少虚假负值,提高数据处理效率.
科学领域:
- 分析化学 分析化学
- 化学测量 化学测量 化学测量
- 数据科学数据科学数据科学
背景情况:
- 综合二维气色谱 (GC×GC) 为复杂的挥发性分析提供了高分辨率.
- 现有的轮检测方法在重叠的轮中扎,导致GC × GC数据中的假负数和不准确的量化.
- 手动策划GC×GC数据是耗时且容易出现错误的.
研究的目的:
- 开发一种混合深度学习框架,以克服GC×GC分析中重叠轮引起的虚假负面.
- 为了提高复杂的GC×GC数据集中自动化轮检测和量化的准确性和效率.
- 为了减少在处理GC×GC数据时需要人工干预.
主要方法:
- 开发了一个混合深度学习框架,集成图像分类 (ResNet18) 和实例细分 (YOLO 11l).
- 最初的轮图是使用改进的PeakCET v2与拉普拉斯运算符生成的.
- ResNet18对单峰和多峰轮进行了分类,而YOLO 11l对重叠轮进行了细分.
主要成果:
- ResNet18实现了98.59%的轮分类准确度.
- YOLO 11l表现出强大的细分性能,mAP50>87%和最高的mAP50-95.5.
- 混合模型在各种油数据集上显示了通用性和稳定性.
结论:
- 拟议的ResNet18-YOLO 11l管道有效地减少由重叠轮引起的GC×GC分析中的虚假负数.
- 这种自动化方法为处理复杂的GC×GC数据提供了一种节省时间的解决方案,最大限度地减少了手工策划.
- 该框架提高了代谢学和其他挥发性分析应用中的定量分析的可靠性和吞吐量.
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