从SGD动态视角推导出深度网络初始化方差的最优解。
Optimal Condition for Initialization Variance in Deep Neural Networks: An SGD Dynamics Perspective
- 通过福克-普朗克方程建模SGD,分析初始分布与稳态分布的KL散度。
- 理论推导出损失函数上界,最小化后得到高斯初始化方差的最优值。
- 实验验证:在MNIST/Fashion-MNIST上优于He初始化,提升训练与测试表现。
随机梯度下降(SGD)可通过连续时间近似重述为拉格朗日动力学下的福克-普朗克方程,这一视角启发了众多理论研究。本文在此框架下,研究由该方程导出的准稳态分布与初始分布之间的克莱姆-莱布勒(KL)散度关系。由于准稳态分布依赖于期望损失函数,KL散度最终揭示了期望损失函数与初始化分布之间的联系。将此方法应用于深度神经网络(DNN),可显式表达期望损失函数的边界,其形式依赖于初始化参数。通过最小化该边界,我们得到了高斯初始化情况下权重初始化方差的最优条件。该结果提供了一个明确的数学准则,而非启发式方法,用于确定DNN中权重初始化的尺度。此外,我们通过经典SGD在MNIST和Fashion-MNIST数据集上训练全连接网络,实验验证了理论结果:当初始化方差满足理论最优条件时,对应的DNN模型始终获得更低的最终训练损失和更高的测试准确率,优于传统的He正态初始化。本工作为初始化方差的选择提供了数学基础,并阐明了其在DNN参数动态中的物理意义。
原文摘要 · Abstract (English)
Stochastic gradient descent (SGD), one of the most fundamental optimization algorithms in machine learning (ML), can be recast through a continuous-time approximation as a Fokker-Planck equation for Langevin dynamics, a viewpoint that has motivated many theoretical studies. Within this framework, we study the relationship between the quasi-stationary distribution derived from this equation and the initial distribution through the Kullback-Leibler (KL) divergence. As the quasi-steady-state distribution depends on the expected cost function, the KL divergence eventually reveals the connection between the expected cost function and the initialization distribution. By applying this to deep neural network models (DNNs), we can express the bounds of the expected loss function explicitly in terms of the initialization parameters. Then, by minimizing this bound, we obtain an optimal condition of the initialization variance in the Gaussian case. This result provides a concrete mathematical criterion, rather than a heuristic approach, to select the scale of weight initialization in DNNs. In addition, we experimentally confirm our theoretical results by using the classical SGD to train fully connected neural networks on the MNIST and Fashion-MNIST datasets. The result shows that if the variance of the initialization distribution satisfies our theoretical optimal condition, then the corresponding DNN model always achieves lower final training loss and higher test accuracy than the conventional He-normal initialization. Our work thus supplies a mathematically grounded indicator that guides the choice of initialization variance and clarifies its physical meaning of the dynamics of parameters in DNNs.
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