Optimal Stochastic Bilevel Optimization with First-Order Oracles

We study a class of bilevel optimization problems in which both the upper- and lower-level problems have minimax structures. This setting captures a broad range of emerging applications. Despite the extensive literature on bilevel optimization and minimax optimization separately, existing methods mainly focus on bilevel optimization with lower-level minimization problems, often under strong convexity assumptions, and are not directly applicable to the minimax lower-level setting considered here. To address this gap, we develop penalty-based first-order methods for bilevel minimax optimization without requiring strong convexity of the lower-level problem. In the deterministic setting, we establish that the proposed method finds an $ε$-KKT point with $\tilde{O}(ε^{-4})$ oracle complexity. We further show that bilevel problems with convex constrained lower-level minimization can be reformulated as special cases of our framework via Lagrangian duality, leading to an $\tilde{O}(ε^{-4})$ complexity bound that improves upon the existing $\tilde{O}(ε^{-7})$ result. Finally, we extend our approach to the stochastic setting, where only stochastic gradient oracles are available, and prove that the proposed stochastic method finds a nearly $ε$-KKT point with $\tilde{O}(ε^{-9})$ oracle complexity.

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 $Ω(κ_y^4 ε^{-4})$.

Federated stochastic bilevel optimization has been actively studied in recent years due to its widespread applications in machine learning. However, most existing federated stochastic bilevel optimization algorithms require the computation of second-order Hessian and Jacobian matrices, which leads to longer running times in practice. To address these challenges, we propose a novel federated stochastic variance-reduced bilevel gradient descent algorithm that relies solely on first-order oracles. Specifically, our approach does not require the computation of second-order Hessian and Jacobian matrices, significantly reducing running time. Furthermore, we introduce a novel learning rate mechanism, i.e., a constant single-timescale learning rate, to coordinate the update of different variables. We also present a new strategy to establish the convergence rate of our algorithm. Finally, the extensive experimental results confirm the efficacy of our proposed algorithm.