Penalty-Based First-Order Methods for Bilevel Optimization with Minimax and Constrained Lower-Level Problems

Bilevel optimization minimizes an objective function, defined by an upper-level problem whose feasible region is the solution of a lower-level problem. We study the oracle complexity of finding an $ε$-stationary point with first-order methods when the upper-level problem is nonconvex, and the lower-level problem is strongly convex. Recent works (Ji et al., ICML 2021; Arbel and Mairal, ICLR 2022; Chen et al., JMLR 2025) achieve a $\tilde{\mathcal{O}}(\bar κ_y^4 ε^{-2})$ upper bound that is near-optimal in $ε$, which can be reduced to $\tilde{\mathcal{O}}(\bar κ_y^{7/2} ε^{-2})$ by a naive application of Nesterov acceleration in the inner loop, where $\bar κ_y$ is the global condition number. However, the optimal dependency on the condition number is unknown. In this work, we establish a new $Ω(κ_y^{5/2} ε^{-2})$ lower bound, where $κ_y < \bar κ_y$ is the lower-level condition number that is of the same order as $\bar κ_y$ when the smoothness constants are $\mathcal{O}(1)$. Our lower bound establishes the first provable gap in terms of condition number dependency between bilevel problems and minimax problems in this setup. Our lower bounds can be extended to various settings, including high-order smooth functions, stochastic oracles, and convex hyper-objectives: (1) For second-order and arbitrarily smooth problems, we show lower bounds of $Ω({κ_y^{31/14}} ε^{-12/7})$ and $Ω(κ_y^{21/10} ε^{-8/5})$, respectively. (2) For convex-strongly-convex problems, we improve the previously best lower bound (Ji and Liang, JMLR 2022) from $Ω(κ_y /\sqrtε)$ to $Ω(κ_y^{3/2} / \sqrtε)$. (3) For smooth stochastic problems, we also show a lower bound of $Ω(κ_y^4 ε^{-4})$.

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.

Bilevel optimization has recently attracted significant attention in machine learning due to its wide range of applications and advanced hierarchical optimization capabilities. In this paper, we propose a plug-and-play framework, named PnPBO, for developing and analyzing stochastic bilevel optimization methods. This framework integrates both modern unbiased and biased stochastic estimators into the single-loop bilevel optimization framework introduced in [9], with several improvements. In the implementation of PnPBO, all stochastic estimators for different variables can be independently incorporated, and an additional moving average technique is applied when using an unbiased estimator for the upper-level variable. In the theoretical analysis, we provide a unified convergence and complexity analysis for PnPBO, demonstrating that the adaptation of various stochastic estimators (including PAGE, ZeroSARAH, and mixed strategies) within the PnPBO framework achieves optimal sample complexity, comparable to that of single-level optimization. This resolves the open question of whether the optimal complexity bounds for solving bilevel optimization are identical to those for single-level optimization. Finally, we empirically validate our framework, demonstrating its effectiveness on several benchmark problems and confirming our theoretical findings.