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33ffc1a4a06e19865ac6cba04c753121-Paper-Conference.pdf

Neural Information Processing Systems

We study which machine learning algorithms have tight generalization bounds with respect to a given collection of population distributions. Our results build on and extend the recent work of Gastpar et al. (2024). First, we present conditions that preclude the existence of tight generalization bounds. Specifically, we show that algorithms that have certain inductive biases that cause them to be unstable do not admit tight generalization bounds. Next, we show that algorithms that are sufficiently loss-stable do have tight generalization bounds. We conclude with a simple characterization that relates the existence of tight generalization bounds to the conditional variance of the algorithm's loss.


How Memory in Optimization Algorithms Implicitly Modifies the Loss

Neural Information Processing Systems

In modern optimization methods used in deep learning, each update depends on the history of previous iterations, often referred to as memory, and this dependence decays fast as the iterates go further into the past. For example, gradient descent with momentum has exponentially decaying memory through exponentially averaged past gradients. We introduce a general technique for identifying a memoryless algorithm that approximates an optimization algorithm with memory. It is obtained by replacing all past iterates in the update by the current one, and then adding a correction term arising from memory (also a function of the current iterate). This correction term can be interpreted as a perturbation of the loss, and the nature of this perturbation can inform how memory implicitly (anti-)regularizes the optimization dynamics. As an application of our theory, we find that Lion does not have the kind of implicit anti-regularization induced by memory that AdamW does, providing a theory-based explanation for Lion's better generalization performance recently documented [13]. Empirical evaluations confirm our theoretical findings.


Decreasing Entropic Regularization Averaged Gradient for Semi-Discrete Optimal Transport

Neural Information Processing Systems

Adding entropic regularization to Optimal Transport (OT) problems has become a standard approach for designing efficient and scalable solvers. However, regularization introduces a bias from the true solution. To mitigate this bias while still benefiting from the acceleration provided by regularization, a natural solver would adaptively decrease the regularization as it approaches the solution. Although some algorithms heuristically implement this idea, their theoretical guarantees and the extent of their acceleration compared to using a fixed regularization remain largely open. In the setting of semi-discrete OT, where the source measure is continuous and the target is discrete, we prove that decreasing the regularization can indeed accelerate convergence. To this end, we introduce DRAG: Decreasing (entropic) Regularization Averaged Gradient, a stochastic gradient descent algorithm where the regularization decreases with the number of optimization steps. We provide a theoretical analysis showing that DRAG benefits from decreasing regularization compared to a fixed scheme, achieving an unbiased O(1/t)sample and iteration complexity for both the OT cost and the potential estimation, and a O(1/ t) rate for the OT map. Our theoretical findings are supported by numerical experiments that validate the effectiveness of DRAG and highlight its practical advantages.


A Multi-step Inertial Forward-Backward Splitting Method for Non-convex Optimization

Neural Information Processing Systems

We propose a multi-step inertial Forward-Backward splitting algorithm for minimizing the sum of two non-necessarily convex functions, one of which is proper lower semi-continuous while the other is differentiable with a Lipschitz continuous gradient. We first prove global convergence of the algorithm with the help of the Kurdyka-ลojasiewicz property. Then, when the non-smooth part is also partly smooth relative to a smooth submanifold, we establish finite identification of the latter and provide sharp local linear convergence analysis. The proposed method is illustrated on several problems arising from statistics and machine learning.