Learning rate adaptive stochastic gradient descent optimization methods: numerical simulations for deep learning methods for partial differential equations and convergence analyses

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}.

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.

Interpreting optimizers as gradient-flow discretizations has motivated applying higher-order Runge-Kutta (RK) integrators to neural networks. We build a representative Adam variant (Bogacki-Shampine 3(2) RK pair, FSAL reuse, local-error step control) and evaluate it under a strict compute-matched protocol giving every method the same gradient-evaluation budget - an accounting this literature rarely enforces. Under it the RK variant loses to plain Adam on training loss in both minibatch and full-batch (RK's best-case) training. Instrumenting it shows the "adaptivity" is illusory: normalized error stays far below tolerance, the step size pins at its growth cap from step one (98-100 percent of steps), and no rtol x hmax x h0 setting makes it act; tolerances spanning 100x give bit-identical trajectories. The method is exactly fixed-step Adam with an averaged gradient at 3-4x cost. Repairing it (true reject branch; error on the applied map) reverses the full-batch result - about 40x lower training loss than tuned Adam - and a fixed-step control isolates adaptivity (an emergent warmup-and-growth schedule) as the mechanism. But the gain is fragile to the initial step size and does not reach test accuracy. A pre-registered follow-up rules out the obvious explanations: deeper minimization does not overfit, and an explicit temperature knob only hurts - leaving a trajectory effect, the controller selecting a minimum generalizing 1.3-3.4 points below first-order descent at equal depth. An n=10 study confirms one secondary effect: gradient averaging is a genuine implicit regularizer, beating lr-matched Adam and AdamW on 10/10 seeds - yet RMSprop and NAdam match or beat it at a third the per-step cost. Higher-order adaptive integration buys deeper deterministic minimization and a small regularization effect, but nothing a cheaper, well-tuned first-order baseline does not already provide.