On the Convergence of Single-Loop Stochastic Bilevel Optimization with Approximate Implicit Differentiation

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.

We investigate stochastic simple bilevel optimization with smooth and possibly nonconvex upper- and lower-level objectives. Existing stochastic extensions of dynamic barrier gradient descent (DBGD) either obtain fast convergence under an unverifiable trajectory-dependent ``rare-visit'' assumption, or remove this assumption at a substantially higher oracle cost. We show that a simple denominator-only regularization of the DBGD multiplier eliminates the need for such an assumption while preserving fast convergence rates. Specifically, our method achieves $(\varepsilon, \varepsilon)$-stationarity in $O(\varepsilon^{-2})$ iterations using $O(\varepsilon^{-4})$ upper-level and $O(\varepsilon^{-7})$ lower-level stochastic gradients, which improves upon the best assumption-free complexities. We additionally derive anytime parameter schedules.

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.