arXiv:2602.21276cs.LGstat.ML2026-02

比较SGD与拟牛顿法优化神经网络,发现前者更易泛化。

Neural network optimization strategies and the topography of the loss landscape

  • 用SGD和拟牛顿法对比训练,考察不同优化策略对解的影响。
  • 拟牛顿法能深入更窄的极小值区,但泛化能力较差。
  • SGD倾向于光滑吸引域,适合构建可迁移模型。

神经网络通过在非凸损失曲面上优化多维参数进行训练,低损失区域对应性能良好的参数集。本文研究随机梯度下降(SGD)与非随机拟牛顿法在神经网络训练中的表现差异。前者仅依赖梯度信息,后者利用曲率信息确定步方向并采用黄金分割搜索选择步长。通过核主成分分析和新型路径算法FourierPathFinder,我们发现优化器的选择显著影响最终解的性质:即使都通过早停正则化保证测试性能,SGD解之间的障碍更低;而允许充分拟合时,拟牛顿解落入更深的极小值区,但这些极小值更孤立且在参数空间中分布更分散,导致泛化性能下降。总体而言,SGD探索平滑吸引域,拟牛顿法可找到更深、更孤立的极小值。研究揭示了损失曲面拓扑结构及其对模型鲁棒性和可迁移性的影响。

原文摘要 · Abstract (English)

Neural networks are trained by optimizing multi-dimensional sets of fitting parameters on non-convex loss landscapes. Low-loss regions of the landscapes correspond to the parameter sets that perform well on the training data. A key issue in machine learning is the performance of trained neural networks on previously unseen test data. Here, we investigate neural network training by stochastic gradient descent (SGD) - a non-convex global optimization algorithm which relies only on the gradient of the objective function. We contrast SGD solutions with those obtained via a non-stochastic quasi-Newton method, which utilizes curvature information to determine step direction and Golden Section Search to choose step size. We use several computational tools to investigate neural network parameters obtained by these two optimization methods, including kernel Principal Component Analysis and a novel, general-purpose algorithm for finding low-height paths between pairs of points on loss or energy landscapes, FourierPathFinder. We find that the choice of the optimizer profoundly affects the nature of the resulting solutions. SGD solutions tend to be separated by lower barriers than quasi-Newton solutions, even if both sets of solutions are regularized by early stopping to ensure adequate performance on test data. When allowed to fit extensively on the training data, quasi-Newton solutions occupy deeper minima on the loss landscapes that are not reached by SGD. These solutions are less generalizable to the test data however. Overall, SGD explores smooth basins of attraction, while quasi-Newton optimization is capable of finding deeper, more isolated minima that are more spread out in the parameter space. Our findings help understand both the topography of the loss landscapes and the fundamental role of landscape exploration strategies in creating robust, transferrable neural network models.

优化器损失曲面泛化能力

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