让大模型自由组合算法组件,自动设计出高效求解方案。
ATLAS: Scaffold-Free Algorithm Synthesis by LLMs via Embedding-Guided Quality-Diversity Search
- 用嵌入引导的多样性搜索,在无模板前提下生成完整算法。
- 在4个难解问题上超越现有方法,且保留多个高性能设计。
- 适合想自动构造优化算法的研究者或工程师使用。
大多数基于大模型的自动化算法设计方法仅优化人类指定框架中的某个组件,固定整体结构与组件间交互。我们提出ATLAS,一种基于嵌入引导的质量-多样性框架,用于组合优化中的无模板全算法合成。问题定义提供目标与约束;最小输入输出接口仅规定实例与解的格式;大模型自主选择并重构组件、交互关系与控制流程。这种自由扩大了搜索空间,带来无效候选与过早收敛风险。ATLAS独立检测执行、接口与可行性失败,重新计算目标并进行错误条件修复;基于相似性的归档管理机制在嵌入空间中保持不同区域的算法,防止过早收敛。其三层搜索策略分别优化最优设计、为其他区域提供专属精炼机会,并跨区域合成以重组组件及其交互。在四个NP难问题上,ATLAS优于多个最先进的组件合成方法及匹配的全合成基线,且性能媲美强人类设计算法。一次运行中,它保留了来自不同嵌入空间区域的多个表现相当的算法,而非单一设计。代码检查发现这些多组件设计在主结构或全局搜索骨干上存在差异。结果表明,嵌入引导的质量-多样性搜索可使扩大的全算法设计空间变得实际可搜。源码与精确可执行提示见https://github.com/Danial-Yazdani/ATLAS。
原文摘要 · Abstract (English)
Most LLM-based automated algorithm design methods optimize a designated component within a human-specified scaffold, fixing overall organization and component interactions. We present ATLAS, an embedding-guided quality-diversity framework for scaffold-free full-algorithm synthesis in combinatorial optimization. The problem specification supplies objectives and constraints; a minimal I/O interface fixes only instance and solution formats; the LLM chooses and restructures components, interactions, and control flow. This freedom enlarges the search space, risking invalid candidates and premature convergence to one design region. ATLAS independently detects execution, interface, and feasibility failures, recomputes objectives, and applies error-conditioned repair; similarity-based archive management preserves algorithms across embedding-space regions to counter premature convergence. Its three-layer search refines the best design, gives other regions dedicated refinement opportunities, and performs cross-region synthesis to recombine components and their interactions. Across four NP-hard problems, ATLAS outperforms several state-of-the-art component-synthesis methods and a matched full-synthesis baseline while remaining competitive with strong human-designed algorithms. One ATLAS run retains several algorithms with comparable performance from distinct embedding-space regions rather than a single design. Code inspection finds that these multi-component designs differ in their primary construction or global-search backbone. Our results suggest that embedding-guided quality-diversity search can make the enlarged full-algorithm design space practically searchable. Source code and exact executable prompts are available at https://github.com/Danial-Yazdani/ATLAS .
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