Flatland: The Adventures of Gradient Descent with Large Step Sizes

The training of neural networks often entails objective functions that are not globally $L$-smooth. For these functions, it is both theoretically and practically difficult to reply to the question: what is the largest possible step size that ensures the convergence of gradient descent (GD)? We address this longstanding open question in deep learning by providing a unifying definition of "large" step sizes that requires only local Lipschitz (or even Hölder) continuity of the gradient. We design first-order adaptive methods that provably yield large step sizes and show that they operate at the edge of stability (EoS) right from the start of the training. In particular, the loss decreases nonmonotonically and the product between the step size and sharpness, i.e., the largest eigenvalue of the Hessian, stays above the EoS threshold of 2 throughout training. Using our method, we are also able to minimize the sharpness all the way down to its global minimum. Contrary to expectation, we find that encountering globally-flat regions too early in the training may both slow down convergence and jeopardize the generalization ability of the network. Exploiting a self-stabilization argument, we allow GD to enter slightly sharper valleys and turn unsuccessful training runs into very successful ones.

Glocal Smoothness: Line Search can really help!

Iteration complexities for first-order optimization algorithms are typically stated in terms of a global Lipschitz constant of the gradient, and near-optimal results are achieved using fixed step sizes. But many objective functions that arise in practice have regions with small Lipschitz constants where larger step sizes can be used. Many local Lipschitz assumptions have been proposed, which have lead to results showing that adaptive step sizes and/or line searches yield improved convergence rates over fixed step sizes. However, these faster rates tend to depend on the iterates of the algorithm, which makes it difficult to compare the iteration complexities of different methods. We consider a simple characterization of global and local ("glocal") smoothness that only depends on properties of the function. This allows upper bounds on iteration complexities in terms of iterate-independent constants and enables us to compare iteration complexities between algorithms. Under this assumption it is straightforward to show the advantages of line searches over fixed step sizes, and that in some settings, gradient descent with line search has a better iteration complexity than accelerated methods with fixed step sizes. We further show that glocal smoothness can lead to improved complexities for the Polyak and AdGD step sizes, as well other algorithms including coordinate optimization, stochastic gradient methods, accelerated gradient methods, and non-linear conjugate gradient methods.

Upper and lower memory capacity bounds of transformers for next-token prediction

Given a sequence of tokens, such as words, the task of next-token prediction is to predict the next-token conditional probability distribution. Decoder-only transformers have become effective models for this task, but their properties are still not fully understood. In particular, the largest number of distinct context sequences that a decoder-only transformer can interpolate next-token distributions for has not been established. To fill this gap, we prove upper and lower bounds on this number, which are equal up to a multiplicative constant. We prove these bounds in the general setting where next-token distributions can be arbitrary as well as the empirical setting where they are calculated from a finite number of document sequences. Our lower bounds are for one-layer transformers and our proofs highlight an important injectivity property satisfied by self-attention. Furthermore, we provide numerical evidence that the minimal number of parameters for memorization is sufficient for being able to train the model to the entropy lower bound.