arXiv:2411.02740cs.LGcond-mat.mtrl-sci2024-11被引 3

用信息匹配法选最优数据,少花钱也能精准预测关键结果。

An information-matching approach to optimal experimental design and active learning

  • 基于费舍尔信息矩阵筛选最相关数据,聚焦预测所需参数组合。
  • 少量最优数据即可实现高精度预测,验证了方法高效性。
  • 适合科研中数据昂贵的场景,尤其适用于主动学习与大模型。

数学模型的性能高度依赖训练数据质量,但获取足够数据往往成本高昂。许多建模任务仅需推断参数以预测特定量(QoI),而模型中多数参数不可识别(松散参数),实际预测仅依赖少数参数组合。为此,我们提出一种基于费舍尔信息矩阵的信息匹配准则,从候选数据池中选出最具信息量的训练数据,确保所选数据足以约束下游QoI所需的参数。该方法被表述为凸优化问题,可扩展至大规模模型与数据集。我们在电力系统、水下声学等多领域验证其有效性。进一步将信息匹配用于材料科学中的主动学习循环,在各类应用中均发现:少量最优训练数据即可提供精确预测所需的信息。结果对主动学习在大型机器学习模型中的应用具有重要启发。

原文摘要 · Abstract (English)

The efficacy of mathematical models heavily depends on the quality of the training data, yet collecting sufficient data is often expensive and challenging. Many modeling applications require inferring parameters only as a means to predict other quantities of interest (QoI). Because models often contain many unidentifiable (sloppy) parameters, QoIs often depend on a relatively small number of parameter combinations. Therefore, we introduce an information-matching criterion based on the Fisher Information Matrix to select the most informative training data from a candidate pool. This method ensures that the selected data contain sufficient information to learn only those parameters that are needed to constrain downstream QoIs. It is formulated as a convex optimization problem, making it scalable to large models and datasets. We demonstrate the effectiveness of this approach across various modeling problems in diverse scientific fields, including power systems and underwater acoustics. Finally, we use information-matching as a query function within an Active Learning loop for material science applications. In all these applications, we find that a relatively small set of optimal training data can provide the necessary information for achieving precise predictions. These results are encouraging for diverse future applications, particularly active learning in large machine learning models.

实验设计主动学习信息论参数估计

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