An uncertainty-aware acquisition rule that combines predicted utility, utility uncertainty, and transition uncertainty to select the next LLM generation action is proposed.
Abstract
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.
Combinatorial problems appear in numerous industrial applications. A common approach is to formulate these problems as declarative constraint models that can subsequently be compiled to and solved by a range of back-end solvers. Recent work shows that Large Language Models (LLMs) can produce correct models from natural language, but even a correct model can be expensive to solve because performance remains sensitive to modelling choices. In this work, we investigate whether LLMs can automate performance-oriented model reformulation. Inspired by Automatic Heuristic Design (AHD), we use an evolutionary framework in which an LLM proposes candidate reformulations that are verified and benchmarked against the user-defined baseline model. We compare AHD-adapted search strategies that control which prior attempts, instructions, and measured feedback enter each prompt. Existing retention strategies prioritize recency or performance, but do not explicitly diversify the context. To cover this gap, we introduce Profile-Diverse Retention (PDR), which applies Maximal Marginal Relevance (MMR) to instance-level runtime vectors to retain behaviourally diverse attempts. We systematically evaluate the strategies on eight CSPLib problems using validation-based final model selection. The results show that: (i) iterative reformulation can produce substantial held-out speedups; (ii) strategies that keep the retained context diverse outperform those that retain only recent or the fastest attempts; and (iii) validation-based selection improves the held-out speedup of every strategy.
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