用生成模型闭环优化,高效发现数学中罕见的极值几何结构。
Flow-based Extremal Mathematical Structure Discovery
- 结合流模型与奖励驱动策略,直接优化生成过程以逼近目标。
- 在多个几何优化问题上超越已有最佳结果,计算资源消耗显著降低。
- 无需依赖大语言模型,适合数学结构探索与自动化发现场景。
数学中极值结构的发现面临广阔且非凸的搜索空间,解析方法指导有限,暴力搜索又不可行。我们提出FlowBoost,一种闭环生成框架,通过三个组件实现高效发现:(i) 基于几何感知的条件流匹配模型,用于采样高质量构型;(ii) 奖励引导的策略优化与动作探索,直接优化生成过程并保持多样性;(iii) 随机局部搜索,用于训练数据生成与最终精炼。与以往开环方法(如PatternBoost需对过滤后的离散样本重训练,或AlphaEvolve依赖冻结的大语言模型作为演化突变算子)不同,FlowBoost在采样过程中强制满足几何可行性,并将奖励信号直接反传至生成模型,闭合优化回路,大幅减少训练集规模和训练时间,外层迭代次数降低数量级,且摆脱对大语言模型的依赖。我们在四个几何优化问题上验证该框架:超立方体中的球体打包、最大化圆半径之和的圆打包、海尔布伦三角形问题及星偏差最小化。在若干案例中,FlowBoost发现的构型达到或超过现有最优结果。在圆打包任务中,其下界优于先前基于大语言模型的系统AlphaEvolve,且使用更少计算资源。
原文摘要 · Abstract (English)
The discovery of extremal structures in mathematics requires navigating vast and nonconvex landscapes where analytical methods offer little guidance and brute-force search becomes intractable. We introduce FlowBoost, a closed-loop generative framework that learns to discover rare and extremal geometric structures by combining three components: (i) a geometry-aware conditional flow-matching model that learns to sample high-quality configurations, (ii) reward-guided policy optimization with action exploration that directly optimizes the generation process toward the objective while maintaining diversity, and (iii) stochastic local search for both training-data generation and final refinement. Unlike prior open-loop approaches, such as PatternBoost that retrains on filtered discrete samples, or AlphaEvolve which relies on frozen Large Language Models (LLMs) as evolutionary mutation operators, FlowBoost enforces geometric feasibility during sampling, and propagates reward signal directly into the generative model, closing the optimization loop and requiring much smaller training sets and shorter training times, and reducing the required outer-loop iterations by orders of magnitude, while eliminating dependence on LLMs. We demonstrate the framework on four geometric optimization problems: sphere packing in hypercubes, circle packing maximizing sum of radii, the Heilbronn triangle problem, and star discrepancy minimization. In several cases, FlowBoost discovers configurations that match or exceed the best known results. For circle packings, we improve the best known lower bounds, surpassing the LLM-based system AlphaEvolve while using substantially fewer computational resources.
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