神经网络在分类任务中会因过训练导致核方法失效。
Divergence of Empirical Neural Tangent Kernel in Classification Problems
- 证明了分类问题下神经网络参数会发散,即使网络很宽。
- 实验证明经验NTK随训练时间发散,无法逼近理论核函数。
- 适用于研究分类任务中神经网络行为的理论学者。
本文表明,在分类问题中,无论网络宽度多大(只要有限),全连接网络(FCNs)和残差网络(ResNets)在过训练(训练时间趋于无穷)时均无法用基于神经正切核(NTK)的核逻辑回归近似。具体而言,使用交叉熵损失时,随着训练时间增加,经验NTK在训练样本上的值会发散。为此,首先证明了多层FCNs和ResNets的NTK严格正定;接着证明,当经验NTK矩阵(格拉姆矩阵)的最小特征值有正下界时,神经网络参数会发散。这一现象与回归问题中的懒惰训练模式截然相反。通过反证法,进一步证明:随着网络宽度增大,经验NTK在所有训练时刻上不会一致收敛到理论NTK。实验在合成数据和MNIST分类任务上验证了上述结论。该结果表明,NTK理论在分类任务中不适用,对理解分类中神经网络的理论机制具有重要意义。
原文摘要 · Abstract (English)
This paper demonstrates that in classification problems, fully connected neural networks (FCNs) and residual neural networks (ResNets) cannot be approximated by kernel logistic regression based on the Neural Tangent Kernel (NTK) under overtraining (i.e., when training time approaches infinity). Specifically, when using the cross-entropy loss, regardless of how large the network width is (as long as it is finite), the empirical NTK diverges from the NTK on the training samples as training time increases. To establish this result, we first demonstrate the strictly positive definiteness of the NTKs for multi-layer FCNs and ResNets. Then, we prove that during training, % with the cross-entropy loss, the neural network parameters diverge if the smallest eigenvalue of the empirical NTK matrix (Gram matrix) with respect to training samples is bounded below by a positive constant. This behavior contrasts sharply with the lazy training regime commonly observed in regression problems. Consequently, using a proof by contradiction, we show that the empirical NTK does not uniformly converge to the NTK across all times on the training samples as the network width increases. We validate our theoretical results through experiments on both synthetic data and the MNIST classification task. This finding implies that NTK theory is not applicable in this context, with significant theoretical implications for understanding neural networks in classification problems.
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