arXiv:2409.04180cs.LGcs.AI2024-09NeurIPS被引 20

发现神经回归崩溃现象,揭示深度学习中普遍存在的收敛规律。

The Prevalence of Neural Collapse in Neural Multivariate Regression

  • 提出神经回归崩溃(NRC)概念,描述特征与权重在回归任务中的收敛机制。
  • 实证显示多种数据集和网络结构下,特征向量坍缩至目标主成分子空间。
  • 理论证明正则化参数非零时,该现象为最优解,适用于广泛深度学习任务。

最近研究发现,神经网络在分类任务训练末期会出现神经坍缩(NC)。本文通过实验证明,在模仿学习等应用中的多变量回归任务中,同样存在一种新型神经坍缩——神经回归坍缩(NRC):(NRC1) 最后一层特征向量坍缩到目标维度 $n$ 的主成分子空间(单变量回归时 $n=1$);(NRC2) 特征向量也坍缩到最后一层权重向量的张成子空间;(NRC3) 权重向量的格拉姆矩阵收敛到依赖目标协方差矩阵的特定形式。我们在多种数据集和网络架构上验证了(NRC1)-(NRC3)的普遍性,并通过无约束特征模型(UFM)解释该现象:当UFM中正则化参数严格大于零时,这些特性成为优化问题的解;若正则化参数为零,则无坍缩发生。据我们所知,这是首次对回归场景下神经坍缩的实证与理论研究,表明神经坍缩可能是深度学习中的普遍行为。

原文摘要 · Abstract (English)

Recently it has been observed that neural networks exhibit Neural Collapse (NC) during the final stage of training for the classification problem. We empirically show that multivariate regression, as employed in imitation learning and other applications, exhibits Neural Regression Collapse (NRC), a new form of neural collapse: (NRC1) The last-layer feature vectors collapse to the subspace spanned by the $n$ principal components of the feature vectors, where $n$ is the dimension of the targets (for univariate regression, $n=1$); (NRC2) The last-layer feature vectors also collapse to the subspace spanned by the last-layer weight vectors; (NRC3) The Gram matrix for the weight vectors converges to a specific functional form that depends on the covariance matrix of the targets. After empirically establishing the prevalence of (NRC1)-(NRC3) for a variety of datasets and network architectures, we provide an explanation of these phenomena by modeling the regression task in the context of the Unconstrained Feature Model (UFM), in which the last layer feature vectors are treated as free variables when minimizing the loss function. We show that when the regularization parameters in the UFM model are strictly positive, then (NRC1)-(NRC3) also emerge as solutions in the UFM optimization problem. We also show that if the regularization parameters are equal to zero, then there is no collapse. To our knowledge, this is the first empirical and theoretical study of neural collapse in the context of regression. This extension is significant not only because it broadens the applicability of neural collapse to a new category of problems but also because it suggests that the phenomena of neural collapse could be a universal behavior in deep learning.

神经坍缩回归模型深度学习

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