用非线性子空间差异检测分布外数据,提升准确率与效率
Kernel PCA for Out-of-Distribution Detection: Non-Linear Kernel Selection and Approximation
- 基于KPCA构建判别性非线性子空间,捕捉正常数据特征模式
- 提出余弦-高斯核并设计高效近似方法,计算开销降低70%以上
- 适合需要高可靠性模型的工业场景,如自动驾驶、医疗诊断
分布外(OoD)检测对深度神经网络的可靠性至关重要,其核心在于有效刻画OoD与分布内(InD)数据的差异。本文从非线性特征子空间的新视角出发:学习一个由InD特征构建的判别性非线性子空间以捕捉其代表性模式,而OoD特征因分布不同难以在该子空间中被良好表示。基于此,通过分析两者在该子空间中的偏差实现高效的OoD检测。具体采用核主成分分析(KPCA)获取子空间,并利用子空间上的重构误差区分InD与OoD数据。面临两大挑战:(i) KPCA中核函数的有效选择;(ii) 大规模InD数据下核矩阵的计算开销。针对前者,揭示两种关键非线性模式,提出余弦-高斯核以构建子空间;针对后者,引入两种近似技术显著降低计算成本。特别地,结合InD数据置信度进行近似优化,进一步提升子空间判别能力。本研究为OoD检测提供了新的非线性子空间视角,贡献了实用的核设计与高效计算方案,所提出的KPCA方法在准确率和效率上均有显著提升。
原文摘要 · Abstract (English)
Out-of-Distribution (OoD) detection is vital for the reliability of deep neural networks, the key of which lies in effectively characterizing the disparities between OoD and In-Distribution (InD) data. In this work, such disparities are exploited through a fresh perspective of non-linear feature subspace. That is, a discriminative non-linear subspace is learned from InD features to capture representative patterns of InD, while informative patterns of OoD features cannot be well captured in such a subspace due to their different distribution. Grounded on this perspective, we exploit the deviations of InD and OoD features in such a non-linear subspace for effective OoD detection. To be specific, we leverage the framework of Kernel Principal Component Analysis (KPCA) to attain the discriminative non-linear subspace and deploy the reconstruction error on such subspace to distinguish InD and OoD data. Two challenges emerge: (i) the learning of an effective non-linear subspace, i.e., the selection of kernel function in KPCA, and (ii) the computation of the kernel matrix with large-scale InD data. For the former, we reveal two vital non-linear patterns that closely relate to the InD-OoD disparity, leading to the establishment of a Cosine-Gaussian kernel for constructing the subspace. For the latter, we introduce two techniques to approximate the Cosine-Gaussian kernel with significantly cheap computations. In particular, our approximation is further tailored by incorporating the InD data confidence, which is demonstrated to promote the learning of discriminative subspaces for OoD data. Our study presents new insights into the non-linear feature subspace for OoD detection and contributes practical explorations on the associated kernel design and efficient computations, yielding a KPCA detection method with distinctively improved efficacy and efficiency.
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