ES-AHD: An Evolution Strategy Framework for Automatic Heuristic Design

Large Language Models (LLMs) have advanced Automatic Heuristic Design (AHD) by enabling heuristic generation through reasoning and code synthesis. In LLM-based AHD, the LLM reasons about algorithm design and generates executable heuristic code. Existing architectures adopt two main paradigms: Natural Evolution applies crossover and mutation to this code to explore diverse strategies, but discards the reasoning traces behind the design decisions, weakening knowledge retention; Metacognitive Evolution retains these reasoning traces and refines them through reflection, but lacks population-level recombination, limiting exploration. These limitations reduce search efficiency, stability, and solution quality on complex problems. To address this gap, we propose MeEvo, an AHD framework that cyclically couples Natural Evolution and Metacognitive Evolution with operator balance that shifts from exploration to exploitation. Natural Evolution explores heuristic code while recording LLM-generated reasoning traces, fitness values, errors and best heuristic into a shared history; Metacognitive Evolution then reflects on this history to generate improved heuristics that feed into the next Natural Evolution cycle. This design enables population-driven exploration and reflection-driven refinement to reinforce each other. Experiments on five optimization problems show that MeEvo achieves stronger performance and lower variance than tested LLM-based AHD architectures, especially on complex constrained tasks.

The integration of Large Language Models (LLMs) into evolutionary frameworks has established a new paradigm for automated heuristic discovery. Despite their promise, these methods typically search in the discrete space of program syntax, relying on stochastic sampling to navigate a highly non-convex optimization landscape. This work proposes a continuous heuristic discovery framework that shifts optimization to a learned latent manifold. We employ an encoder to map discrete programs into continuous embeddings and train a differentiable surrogate model to predict performance, enabling gradient-based search. To regularize the optimization trajectory, an invertible normalizing flow maps these embeddings to a structured Gaussian prior, where we perform gradient ascent. The resulting optimized latent vectors are projected through a learned mapper into soft prompts, which condition a frozen LLM to synthesize novel executable heuristics. We evaluate the proposed method on the Traveling Salesman Problem (TSP), the Capacitated Vehicle Routing Problem (CVRP), the Knapsack Problem (KSP), and Online Bin Packing (OBP). Empirical results demonstrate that continuous latent-space optimization achieves performance competitive with state-of-the-art discrete evolutionary baselines while offering a complementary methodological alternative for automated algorithm design. The implementation code is available at https://github.com/cheikh025/LHS.

Large Language Model (LLM) based automated heuristic design (AHD) has shown great potential in discovering efficient heuristics. Most existing LLM-AHD frameworks use semantic evolutionary operators that rely entirely on the LLM's pre-trained knowledge. These one-stage methods strictly require the generated code to be valid during the operation and often rely on a ``thought-code'' representation. We argue that this end-to-end generation fundamentally limits the exploration ability within the algorithm search space. In this paper, we propose a two-stage, structure-based evolutionary operator for LLM-AHD. In the first stage, our approach directly performs crossover and mutation on the Abstract Syntax Trees (ASTs) of the heuristic code, intentionally generating diverse but often invalid structural variants. In the second stage, the LLM is employed to repair these invalid heuristics into executable, high-quality code. Depending on the underlying framework, either the raw invalid variants or the repaired heuristics are integrated into the population to preserve potential structural patterns. We demonstrate that the proposed operator can significantly enhance the search ability of state-of-the-art LLM-AHD algorithms, such as EoH-S. Experimental results on the Traveling Salesman Problem (TSP) and the Online Bin Packing Problem (OBP) show that our method effectively improves both optimization performance and convergence speed.