arXiv:2506.17333cs.LGcond-mat.dis-nn2025-06被引 2

用大模型从数据中自动推导元胞自动机规则并精准预测演化。

AutomataGPT: Forecasting and Ruleset Inference for Two-Dimensional Cellular Automata

  • 基于百万级模拟轨迹预训练的Transformer模型
  • 对未见规则实现98.5%单步预测准确率
  • 无需先验知识,可同时完成预测与规则反演

元胞自动机(CA)以最简形式描述局部相互作用如何生成复杂时空行为,广泛应用于交通流、生态、组织形态发生和晶体生长等领域。然而,自动发现特定现象对应的局部更新规则并用于定量预测仍具挑战。本文提出AutomataGPT,一种在约100万条模拟轨迹上预训练的解码器仅模型,覆盖100种二维二值确定性元胞自动机规则(在环形网格上)。在未见过的同家族规则上评估,AutomataGPT实现98.5%的完美单步预测率,并以高达96%的功能准确率重构真实规则,82%的规则矩阵完全匹配。结果表明,大规模预训练可显著提升在正向(状态预测)与逆向(规则推断)任务上的泛化能力,且无需人工设计先验。该工作证明了变压器模型仅凭数据即可忠实推断并执行元胞自动机动态,为将真实世界动力学现象抽象为数据高效的元胞自动机代理奠定了基础,推动生物学、组织工程、物理学及人工智能驱动的科学发现发展。

原文摘要 · Abstract (English)

Cellular automata (CA) provide a minimal formalism for investigating how simple local interactions generate rich spatiotemporal behavior in domains as diverse as traffic flow, ecology, tissue morphogenesis and crystal growth. However, automatically discovering the local update rules for a given phenomenon and using them for quantitative prediction remains challenging. Here we present AutomataGPT, a decoder-only transformer pretrained on around 1 million simulated trajectories that span 100 distinct two-dimensional binary deterministic CA rules on toroidal grids. When evaluated on previously unseen rules drawn from the same CA family, AutomataGPT attains 98.5% perfect one-step forecasts and reconstructs the governing update rule with up to 96% functional (application) accuracy and 82% exact rule-matrix match. These results demonstrate that large-scale pretraining over wider regions of rule space yields substantial generalization in both the forward (state forecasting) and inverse (rule inference) problems, without hand-crafted priors. By showing that transformer models can faithfully infer and execute CA dynamics from data alone, our work lays the groundwork for abstracting real-world dynamical phenomena into data-efficient CA surrogates, opening avenues in biology, tissue engineering, physics and AI-driven scientific discovery.

元胞自动机规则推断Transformer科学发现

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