arXiv:2606.21289cs.LG2026-06TPAMI被引 6

用随机遮蔽重建提升光谱分类,让模型更准识别关键波数。

Reconstructing Randomly Masked Spectra Helps DNNs Identify Discriminant Wavenumbers

论文配图:Reconstructing Randomly Masked Spectra Helps DNNs Identify Discriminant Wavenumbers
图 1 · 摘自论文原文
  • 通过遮蔽光谱并重建,生成带新变化的增强数据。
  • 在最难合成场景下比CNN高17%准确率,能更好识别关键波数。
  • 适合数据少的光谱分析任务,提升模型可解释性。

非破坏性检测方法基于振动光谱在工业化学、制药和国防等领域至关重要。近年来,深度学习被引入振动光谱领域展现出巨大潜力。与图像、文本等拥有大量标注数据不同,振动光谱数据极为有限,需超越迁移学习和元学习的新范式。为此,我们提出任务增强型增强网络(TeaNet)。TeaNet的核心是重建模块:输入随机遮蔽的光谱,输出与原谱相似但包含领域学习新增变化的重构样本,用于训练分类模型。重建与预测部分端到端联合训练,通过反向传播优化。在合成与真实数据集上的实验验证了该方法优越性。在最困难的合成场景中,TeaNet相比CNN提升17%。我们可视化并分析了TeaNet与CNN的神经元响应,发现TeaNet在识别判别性波数方面表现更优。本方法具有通用性,可轻松适配其他领域,为更准确、可解释的少样本学习提供解决方案。

原文摘要 · Abstract (English)

Nondestructive detection methods, based on vibrational spectroscopy, are vitally important in a wide range of applications including industrial chemistry, pharmacy and national defense. Recently, deep learning has been introduced into vibrational spectroscopy showing great potential. Different from images, text, etc. that offer large labeled data sets, vibrational spectroscopic data is very limited, which requires novel concepts beyond transfer and meta learning. To tackle this, we propose a task-enhanced augmentation network (TeaNet). The key component of TeaNet is a reconstruction module that inputs randomly masked spectra and outputs reconstructed samples that are similar to the original ones, but include additional variations learned from the domain. These augmented samples are used to train the classification model. The reconstruction and prediction parts are trained simultaneously, end-to-end with back-propagation. Results on both synthetic and real-world datasets verified the superiority of the proposed method. In the most difficult synthetic scenarios TeaNet outperformed CNN by 17%. We visualized and analysed the neuron responses of TeaNet and CNN, and found that TeaNet's ability to identify discriminant wavenumbers was excellent compared to CNN. Our approach is general and can be easily adapted to other domains, offering a solution to more accurate and interpretable few-shot learning.

光谱分析少样本学习数据增强可解释性

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