PADAM动态选择最优平均策略,显著降低科学机器学习中的优化误差。
PADAM: Parallel averaged Adam reduces the error for stochastic optimization in scientific machine learning
- 并行计算多个ADAM平均变体,训练中自动选误差最小者。
- 在13个科学机器学习任务中,优化误差普遍低于其他主流优化器。
- 无需额外梯度计算,适合复杂物理建模与深度神经网络训练。
Ruppert-Polyak平均和指数移动平均(EMA)等平均技术能加速随机梯度下降(SGD)类优化方法(如ADAM)的收敛。然而,不同优化问题需调整平均类型与参数以达到最小误差。本文提出并行平均ADAM(PADAM),并行计算多个ADAM平均变体,并在训练中动态选择优化误差最小的版本。该方法的核心优势在于不增加额外梯度计算量,各平均路径共享同一组基底梯度。我们在13个随机优化与深度神经网络(DNN)学习任务中测试了PADAM,对比标准SGD、动量SGD、带/不带EMA的ADAM及ADAMW等经典优化器。实验涵盖物理信息神经网络、深度伽辽金法、深度后向随机微分方程及边界值偏微分方程的深度柯尔莫哥洛夫近似,以及最优控制与最优停止问题的DNN逼近。在几乎所有案例中,PADAM均实现最低或接近最低的优化误差,表明其在科学机器学习中具有显著优势,并为DNN训练中的自适应平均策略研究提供新方向。
原文摘要 · Abstract (English)
Averaging techniques such as Ruppert--Polyak averaging and exponential movering averaging (EMA) are powerful approaches to accelerate optimization procedures of stochastic gradient descent (SGD) optimization methods such as the popular ADAM optimizer. However, depending on the specific optimization problem under consideration, the type and the parameters for the averaging need to be adjusted to achieve the smallest optimization error. In this work we propose an averaging approach, which we refer to as parallel averaged ADAM (PADAM), in which we compute parallely different averaged variants of ADAM and during the training process dynamically select the variant with the smallest optimization error. A central feature of this approach is that this procedure requires no more gradient evaluations than the usual ADAM optimizer as each of the averaged trajectories relies on the same underlying ADAM trajectory and thus on the same underlying gradients. We test the proposed PADAM optimizer in 13 stochastic optimization and deep neural network (DNN) learning problems and compare its performance with known optimizers from the literature such as standard SGD, momentum SGD, Adam with and without EMA, and ADAMW. In particular, we apply the compared optimizers to physics-informed neural network, deep Galerkin, deep backward stochastic differential equation and deep Kolmogorov approximations for boundary value partial differential equation problems from scientific machine learning, as well as to DNN approximations for optimal control and optimal stopping problems. In nearly all of the considered examples PADAM achieves, sometimes among others and sometimes exclusively, essentially the smallest optimization error. This work thus strongly suggest to consider PADAM for scientific machine learning problems and also motivates further research for adaptive averaging procedures within the training of DNNs.
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