arXiv:2410.04887cs.LGmath.OC2024-10ICLR被引 18

证明了加权衰减训练的宽网络会自然出现神经坍缩现象。

Wide Neural Networks Trained with Weight Decay Provably Exhibit Neural Collapse

  • 基于梯度下降与权重衰减,推导出神经坍缩的通用保证。
  • 宽网络训练后误差低且类内差异消失,类中心正交对齐权重矩阵。
  • 首次在端到端训练中严格证明神经坍缩,适合研究深度学习理论者。

深度神经网络在收敛时,其最后一层总以高度对称的几何结构表示训练数据,这种现象称为神经坍缩。尽管已有大量理论研究试图证明该现象,但多聚焦于无约束特征模型(特征为自由变量),缺乏对真实训练过程的刻画。本文转向包含至少两个线性层的网络结构,首先在假设(i)训练误差低且线性层平衡(实现类内可变性坍缩)、(ii)线性前特征条件数有界(确保类中心正交及与权重对齐)的前提下,建立神经坍缩的通用保证。进一步证明:对于第一层较宽的网络,梯度下降加权重衰减能保证低误差与平衡性;对于近似最优或大学习率下稳定的解,还可保证特征条件数有界。综合上述结果,本文首次在端到端训练中严格证明了神经坍缩的存在。

原文摘要 · Abstract (English)

Deep neural networks (DNNs) at convergence consistently represent the training data in the last layer via a highly symmetric geometric structure referred to as neural collapse. This empirical evidence has spurred a line of theoretical research aimed at proving the emergence of neural collapse, mostly focusing on the unconstrained features model. Here, the features of the penultimate layer are free variables, which makes the model data-agnostic and, hence, puts into question its ability to capture DNN training. Our work addresses the issue, moving away from unconstrained features and studying DNNs that end with at least two linear layers. We first prove generic guarantees on neural collapse that assume (i) low training error and balancedness of the linear layers (for within-class variability collapse), and (ii) bounded conditioning of the features before the linear part (for orthogonality of class-means, as well as their alignment with weight matrices). We then show that such assumptions hold for gradient descent training with weight decay: (i) for networks with a wide first layer, we prove low training error and balancedness, and (ii) for solutions that are either nearly optimal or stable under large learning rates, we additionally prove the bounded conditioning. Taken together, our results are the first to show neural collapse in the end-to-end training of DNNs.

神经坍缩深度学习理论梯度下降

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