arXiv:2411.07979cs.LGcs.AI2024-11NeurIPS被引 6

首次在可逆网络中实现精确高斯-牛顿优化,发现其泛化能力差。

Exact, Tractable Gauss-Newton Optimization in Deep Reversible Architectures Reveal Poor Generalization

  • 在可逆深度架构中推导出精确高斯-牛顿更新的可计算形式。
  • 训练损失快速饱和,参数更新过拟合小批量数据。
  • 适用于研究二阶优化本质,适合关注泛化机制的研究者。

二阶优化在许多应用中被证明能加速深度神经网络训练,通常相比一阶优化器在每轮迭代中取得更快的损失下降。然而,二阶方法的泛化性能仍存在争议。理论分析受限于高度简化的模型类别,难以推广到实际深度学习场景;而大规模模型和真实数据集上的实证研究又因必须近似二阶更新而受到干扰。无法区分观察到的泛化行为是源于二阶更新的本质,还是由特定结构(如克罗内克)近似或阻尼插值导致。本文首次在一类足够表达能力强、可应用于常见基准数据集的深层可逆架构中,实现了精确高斯-牛顿(GN)更新的可计算形式。利用这一新设定,我们研究了GN优化器的训练与泛化特性。结果表明,精确GN泛化性能差:在小批量训练设置下,即使训练损失也迅速饱和,参数更新表现出对每个小批量的过拟合,未生成支持跨小批量泛化的特征。实验处于“懒惰”区域,即训练过程中神经正切核(NTK)几乎不变,表现为神经表征无显著变化,解释了泛化失败的原因。

原文摘要 · Abstract (English)

Second-order optimization has been shown to accelerate the training of deep neural networks in many applications, often yielding faster progress per iteration on the training loss compared to first-order optimizers. However, the generalization properties of second-order methods are still being debated. Theoretical investigations have proved difficult to carry out outside the tractable settings of heavily simplified model classes -- thus, the relevance of existing theories to practical deep learning applications remains unclear. Similarly, empirical studies in large-scale models and real datasets are significantly confounded by the necessity to approximate second-order updates in practice. It is often unclear whether the observed generalization behaviour arises specifically from the second-order nature of the parameter updates, or instead reflects the specific structured (e.g.\ Kronecker) approximations used or any damping-based interpolation towards first-order updates. Here, we show for the first time that exact Gauss-Newton (GN) updates take on a tractable form in a class of deep reversible architectures that are sufficiently expressive to be meaningfully applied to common benchmark datasets. We exploit this novel setting to study the training and generalization properties of the GN optimizer. We find that exact GN generalizes poorly. In the mini-batch training setting, this manifests as rapidly saturating progress even on the \emph{training} loss, with parameter updates found to overfit each mini-batchatch without producing the features that would support generalization to other mini-batches. We show that our experiments run in the ``lazy'' regime, in which the neural tangent kernel (NTK) changes very little during the course of training. This behaviour is associated with having no significant changes in neural representations, explaining the lack of generalization.

二阶优化泛化性可逆网络

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