Accelerating Finite-Sum Bilevel Optimization with Fully First-Order Oracles

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 $Ω(κ_y^4 ε^{-4})$.

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.

In this work, we study the oracle complexity of finding an $ε$-stationary point for nonconvex-strongly-convex (NC-SC) bilevel optimization using only first-order oracles. Existing methods achieving the best-known complexity guarantees typically rely on double-loop, penalty-based procedures. We propose a novel single-loop algorithm based on a constrained reformulation in which lower-level stationarity is imposed as a constraint. Specifically, we construct a regularized Lagrangian by introducing a quadratic regularizer and restricting the dual variable to a bounded domain, and then apply Smoothed Gradient Descent Ascent [Zhang et al., 2020], with Hessian-vector products approximated via finite differences of gradients. We refer to the resulting deterministic and stochastic algorithms as SGHA and Stoc-SGHA, respectively. In the deterministic setting, SGHA achieves an oracle complexity of $O(\barκ_y^{5}ε^{-2})$, where $\barκ_y$ denotes the relevant condition number. In the stochastic setting, Stoc-SGHA achieves an oracle complexity of $O\left(\barκ_y^{17}ε^{-6}ρ^{-3}\right)$ with probability at least $1-ρ$ for any $ρ\in(0,1)$, and an oracle complexity of $O\left(\barκ_y^{17}ε^{-6}\right)$ in expectation under an additional bounded-iterate assumption. Moreover, under an additional stochastic smoothness assumption imposed only on the lower-level objective, the stochastic oracle complexity of Stoc-SGHA improves to $O\left(\barκ_y^{11}ε^{-4}ρ^{-2}\right)$ with high probability and $O\left(\barκ_y^{11}ε^{-4}\right)$ in expectation, matching the $ε$-dependence of the lower bounds.