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Xingyu Wu

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Preprint Jul 2026

How to Guide LLM Generation: Dual-Surrogate Guided Search for Automated Heuristic Design

Large language models (LLMs) have made automated heuristic design (AHD) increasingly practical by generating executable heuristic code from task descriptions and evaluator feedback. Yet under a limited query and evaluation budget, search efficiency depends critically on a pre-generation decision. Before each LLM query and black-box evaluation, the system must choose which archived heuristics to reuse as parents and which generation operator should transform them. Existing methods typically choose such actions with predefined rules, leaving the expected outcome of each concrete operator-parent action only indirectly modeled. Therefore, we propose \emph{\fullmethod{}} (\method{}), a surrogate-guided action-selection module for operator-parent selection in LLM-based AHD. \method{} guides the LLM code-generation process by scoring pre-generation actions with two complementary surrogates. Specifically, a transition surrogate is proposed to predict the latent distribution of the child representation induced by an operator-parent action, while an instance-conditioned utility surrogate is proposed to estimate the expected performance of sampled child latents. Moreover, we propose an uncertainty-aware acquisition rule that combines predicted utility, utility uncertainty, and transition uncertainty to select the next LLM generation action. Across a diverse heuristic-design suite, \method{} is competitive with strong LLM-AHD baselines, and ablation and action-selection analyses suggest that its behavior goes beyond simple archive ranking or fixed operator preferences.

Yuhang Wang, Chaoda Peng, Xingyu Wu et al. · 0 citations
Jun 2026

Semantics-Aware Bilevel Co-Evolution: Towards Automated Multicomponent Algorithm Design

LLM-assisted evolutionary search (LES) has emerged as a promising paradigm for automated algorithm design. However, existing methods usually suffer from two inherent limitations when facing the automated design of real-world complex algorithms that usually consist of multiple components. The first limitation is that they either focus on modifying entire algorithms, making it difficult to reuse high-quality components, or concentrate on component refinement within a limited set of predefined multicomponent configurations. The second limitation is the insufficient explicit modeling and exploitation of algorithm semantics. These limitations severely degrade search efficiency and hinder effective exploration of complex design spaces. Therefore, this paper proposes STABLE (Semantics-Aware Bilevel Co-Evolution), an LES method purpose-built for automated multicomponent algorithm design that introduces structural algorithm formulation and semantics-driven evolution. In STABLE, complex algorithms are organized into hierarchical and modular architectures rooted in domain knowledge, aligning the search space with their intrinsic compositional traits. Based on this structured algorithm formulation, STABLE simultaneously optimizes high-level multicomponent configurations and low-level functional components, enabling coordinated cross-level updates while maintaining suitable granularities for design space exploration. At each level, STABLE establishes a multi-faceted semantic model to assist LLMs in capturing structural correlations, functional compatibilities, and inherent rationalities among algorithm components. This semantic model serves as the core guidance for evolutionary search, enabling principled algorithm generation and algorithm evaluation. Extensive experiments demonstrate that STABLE outperform both human-designed baselines and those from advanced LES methods.

Zhiyao Zhang, Sheng-Hao Wu, Xingyu Wu et al. · 0 citations