On the Stability and Generalization of First-order Bilevel Minimax Optimization

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 underpins many machine learning applications, including hyperparameter optimization, meta-learning, neural architecture search, and reinforcement learning. While hypergradient-based methods have advanced significantly, a gap persists between theoretical guarantees and practical single-loop implementations required for efficiency. We bridge this gap by establishing sharper convergence results for single-loop approximate implicit differentiation (AID) and iterative differentiation (ITD) methods, leveraging our proposed analytical framework, decoupled norm analysis (DNA). For AID, we improve the convergence rate from $\mathcal{O}(κ^6/K)$ to $\mathcal{O}(κ^5/K)$, where $κ$ is the condition number of the inner-level problem. For ITD, we prove that the asymptotic error is $\mathcal{O}(κ^2)$, exactly matching the known lower bound and improving upon the previous $\mathcal{O}(κ^3)$ guarantee. Numerical experiments on synthetic and real tasks corroborate our theoretical findings.

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.