Fine-grained Analysis of Stability and Generalization for Stochastic Bilevel Optimization

Bilevel optimization and bilevel minimax optimization have recently emerged as unifying frameworks for a range of machine-learning tasks, including hyperparameter optimization and reinforcement learning. The existing literature focuses on empirical efficiency and convergence guarantees, leaving a critical theoretical gap in understanding how well these algorithms generalize. To bridge this gap, we provide the first systematic generalization analysis for first-order gradient-based bilevel minimax solvers with lower-level minimax problems. Specifically, by leveraging algorithmic stability arguments, we derive fine-grained generalization bounds for three representative algorithms, including single-timescale stochastic gradient descent-ascent, and two variants of two-timescale stochastic gradient descent-ascent. Our results reveal a precise trade-off among algorithmic stability, generalization gaps, and practical settings. Furthermore, extensive empirical evaluations corroborate our theoretical insights on realistic optimization tasks with bilevel minimax structures.

Recent advances in penalty-based methods for stochastic bilevel optimization (SBO) have eliminated the need for second-order derivative oracles. However, for stochastic nonconvex-strongly convex bilevel problems, existing first-order methods typically rely on nested loops and/or large batch sizes for attaining $O(ε^{-6})$ or $O(ε^{-4})$ sample complexity under standard bounded-variance assumption or mean-square smoothness assumption. Achieving these rates with a single-loop penalty method and a constant batch size remains challenging due to a large penalty value needed for an accurate approximation. To address this challenge, we develop a stochastic SIngle-loop COnstant-Batch first-order penalty method (SICO) that combines two complementary ingredients. First, it performs one stochastic-gradient update per-iteration for both the original lower-level and penalized problems, with a projection that controls the separation between their iterates. Second, it applies an exponential moving average to stabilize the upper-level gradient estimator. We show that this combination achieves $O(ε^{-6})$ sample complexity using only $O(1)$ stochastic-gradient samples per iteration under unbiased, bounded-variance stochastic gradients. Under the additional mean-square smoothness assumption on the lower-level stochastic gradients, the same algorithm improves the complexity to $O(ε^{-4})$ also with $O(1)$ batch size. To the best of our knowledge, this is the first work to match the best-known convergence rate for fully first-order SBO methods using a single loop and a constant batch size. This result addresses an open problem posed in the literature.

Minimax optimization refers to a class of optimization problems with some variables to minimize and other variables to maximize. Biased stochastic gradient methods have shown practical success in solving minimax problems to either improve robustness, enhance communication efficiency, or decrease computational costs. These successes motivate a lot of theoretical works to study the convergence of biased stochastic gradient methods, while their generalization analysis remains untouched. In this paper, we present the first framework to study the stability and generalization of biased stochastic gradient methods for minimax problems. We establish a connection between stability and generalization for minimax problems by relaxing the existing bounded gradient assumption to a bounded second moment condition. We then introduce a generalized Lipschitz-type condition on bias and gradient estimators, and derive a general stability bound to clarify the connection among bias, gradient estimators, and stability. We apply our general analysis to Zeroth-order and Clipped stochastic gradient descent ascent (SGDA), and derive stability bounds that match those of SGDA under appropriate smoothing/clipping parameters. We combine stability and convergence analyses together, and derive optimal excess risk bounds of order $1/\sqrt{n}$, where $n$ is the sample size.