Uniform a priori bounds and error analysis for the Adam stochastic gradient descent optimization method

Beside the standard stochastic gradient descent (SGD) method, the Adam optimizer due to Kingma & Ba (2014) is currently probably the best-known optimization method for the training of deep neural networks in artificial intelligence (AI) systems. Despite the popularity and the success of Adam it remains an \emph{open research problem} to provide a rigorous convergence analysis for Adam even for the class of strongly convex SOPs. In one of the main results of this work we establish convergence rates for Adam in terms of the number of gradient steps (convergence rate \nicefrac{1}{2} w.r.t. the size of the learning rate), the size of the mini-batches (convergence rate 1 w.r.t. the size of the mini-batches), and the size of the second moment parameter of Adam (convergence rate 1 w.r.t. the distance of the second moment parameter to 1) for the class of strongly convex SOPs. In a further main result of this work, which we refer to as \emph{Adam symmetry theorem}, we illustrate the optimality of the established convergence rates by proving for a special class of simple quadratic strongly convex SOPs that Adam converges as the number of gradient steps increases to infinity to the solution of the SOP (the unique minimizer of the strongly convex objective function) if and \emph{only} if the random variables in the SOP (the data in the SOP) are \emph{symmetrically distributed}. In particular, in the standard case where the random variables in the SOP are not symmetrically distributed we \emph{disprove} that Adam converges to the minimizer of the SOP as the number of Adam steps increases to infinity. We also complement the conclusions of our convergence analysis and the Adam symmetry theorem by several numerical simulations that indicate the sharpness of the established convergence rates and that illustrate the practical appearance of the phenomena revealed in the \emph{Adam symmetry theorem}.

Gradient based optimization methods are nowadays the methods of choice for training deep neural networks (DNNs) in artificial intelligence (AI) systems. In practically relevant DNN training problems, one does usually not apply the standard gradient descent (GD) optimization method but instead one employs suitable sophisticated GD optimization methods, which incorporate adaptivity and/or acceleration techniques, such as the famous Adam optimizer. It is a key contribution of this work to provide a general unified convergence analysis for GD optimization methods in the training of DNNs with analytic activations such as the softplus and the popular Gaussian error linear unit (GeLU) activation. Our general unified convergence result applies to a large class of gradient based optimization methods such as the standard GD, the momentum, the Nesterov accelerated gradient (NAG), the RMSprop, the Adam, the Adamax, the Nadam, the Nadamax, the Adan, the AdaBelief, the AMSGrad, and the Yogi optimizers. Our analysis employs the theory of Kurdyka-Łojasiewicz (KL) inequalities to establish convergence to critical points in the training of DNNs. To the best of our knowledge, the generality of our convergence analysis is also just in the special situation of the Adam optimizer a new contribution to the literature on the analysis of AI optimization algorithms.

Popular adaptive stochastic gradient descent (SGD) methods to train artificial intelligence (AI) systems include the RMSprop, the Adam, and the AdamW optimizers, where the adaptivity parts in Adam and AdamW basically just coincide with RMSprop. Such adaptive methods involve several hyperparameters including the regularization parameter $ε$ (which ensures that one does not divide by 0 and is often chosen to be very close to zero such as $10^{-8}$ in PyTorch by default) and the second moment decay parameter $β$ (which is often chosen to be very close to $1$ such as 0.99 (RMSprop) and 0.999 (Adam and AdamW) in PyTorch by default). Despite the high relevance of such methods, it remains an open research problem to provide error estimates for such methods with the error constants being not exploding but uniformly bounded with the respect to the hyperparameters, even in the situation of convex stochastic optimization problems. It is the key contribution of this work to essentially solve this problem for RMSprop. Specifically, we bound the expectation of the stopped evaluation of the objective function at the RMSprop process from above by the sum of an initialization term that decays exponentially in the training time, a stochastic approximation remainder of order $γ_n$, and a memory error of order $( 1 - β)^2$ with the error constants being uniformly controlled over all admissible choices of the step sizes, the second moment decay parameter $β$ and the regularization parameter $ε\in[0,1]$ (also covering $ε=0$). Our non-asymptotic error estimates hold not just for all sufficiently large n but hold for every gradient step $n=1,2,3,...$ with all error constants being explicitly specified. The key innovative new feature in the proof of our analysis are suitable inverse moment bounds for the second moment process in RMSprop.