用AI提前预测数值求根法的稳定性,几轮迭代内就能判断是否可靠。
Interpretable AI-Assisted Early Reliability Prediction for a Two-Parameter Parallel Root-Finding Scheme
- 基于kNN-LLE代理稳定性分析,从迭代早期片段预测求解器可靠性
- 3轮内预测准确率达R²=0.67,接近稳定轮廓时超R²=0.89
- 结果可解释,适合需要实时调整参数的科学计算场景
我们提出一种可解释的AI辅助可靠性诊断框架,用于参数化求根算法。该方法基于kNN-LLE代理稳定性分析与多时域早期预测,为数值求解器添加轻量级预测层,通过短时迭代动态预估求解器可靠性,实现对稳定与不稳定参数区间的早期识别。针对参数空间中每个配置,构建最大李雅普诺夫指数(LLE)估计器的原始与平滑代理轮廓,从中提取基于收缩性的可靠性评分,反映有限时间收敛性。机器学习模型从代理轮廓早期片段预测可靠性评分,使框架能确定求解动力学何时具有诊断意义。在双参数并行求根方案上的实验表明,仅需数轮迭代即可实现可靠预测:最佳模型在时域T=1时达到R²=0.48,T=3时提升至R²=0.67,于稳定性轮廓特征最小值尺度前超过R²=0.89;更大时域下准确率进一步提升至R²=0.96,平均绝对误差约0.03,推理成本极低(每样本微秒级)。该框架提供可解释的稳定性指标,支持求解过程中持续、重启或调参等早期决策。
原文摘要 · Abstract (English)
We propose an interpretable AI-assisted reliability diagnostic framework for parameterized root-finding schemes based on kNN-LLE proxy stability profiling and multi-horizon early prediction. The approach augments a numerical solver with a lightweight predictive layer that estimates solver reliability from short prefixes of iteration dynamics, enabling early identification of stable and unstable parameter regimes. For each configuration in the parameter space, raw and smoothed proxy profiles of a largest Lyapunov exponent (LLE) estimator are constructed, from which contractivity-based reliability scores summarizing finite-time convergence are derived. Machine learning models predict the reliability score from early segments of the proxy profile, allowing the framework to determine when solver dynamics become diagnostically informative. Experiments on a two-parameter parallel root-finding scheme show reliable prediction after only a few iterations: the best models achieve R^2=0.48 at horizon T=1, improve to R^2=0.67 by T=3, and exceed R^2=0.89 before the characteristic minimum-location scale of the stability profile. Prediction accuracy increases to R^2=0.96 at larger horizons, with mean absolute errors around 0.03, while inference costs remain negligible (microseconds per sample). The framework provides interpretable stability indicators and supports early decisions during solver execution, such as continuing, restarting, or adjusting parameters.
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