Rethinking LLM-Driven Heuristic Design: Generating Efficient and Specialized Solvers via Dynamics-Aware Optimization

arXiv:2601.20868v2 Announce Type: replace-cross
Abstract: Large Language Models (LLMs) have advanced the field of Combinatorial Optimization through automated heuristic generation. Instead of relying on manual design, this LLM-Driven Heuristic Design (LHD) process leverages LLMs to iteratively generate and refine solvers to achieve high performance. However, existing LHD frameworks face two critical limitations: (1) Endpoint-only evaluation, which ranks solvers solely by final gap to a reference solution, ignoring the convergence process and runtime efficiency; (2) High adaptation costs, where distribution shifts necessitate re-adaptation to generate specialized solvers for heterogeneous instance groups. To address these issues, we propose Dynamics-Aware Solver Heuristics (DASH), a framework that co-optimizes solver search mechanisms and runtime schedules guided by a convergence-aware metric, thereby identifying efficient and high-performance solvers. Furthermore, to mitigate expensive re-adaptation, DASH incorporates Profiled Library Retrieval (PLR), which maintains group-specialized solvers for profile-aware warm starts. These solvers are archived concurrently during evolution, allowing DASH to reuse matched specialists across heterogeneous distributions without restarting adaptation. Experiments on four combinatorial optimization problems demonstrate that DASH improves runtime efficiency by over 4 times while outperforming prior LHD baselines in the overall balance between gap and runtime across diverse problem scales. Furthermore, by enabling profile-aware warm starts, DASH maintains lower gap under distribution shift while reducing LLM adaptation costs by about 90%.