利用结构可辨识性提升部分观测动态系统的学习效果
Structure is information: structural identifiability mappings for machine learning with partially observed dynamical systems
- 通过分析参数配置与系统输出的等效关系,消除模型歧义
- 在生物医学数据上,小样本下分类准确率显著提升
- 适合处理稀疏、不规则采样数据的可解释建模场景
现代机器学习在时间序列分类中的应用常受限于训练数据的质量和数量。为克服这一问题,可借助参数化机制动力学模型融入领域知识,将时间序列视为预定义动力系统类的实例。若动力学模型能以领域特定变量及其动态交互形式表达,则学习过程具备可解释性,且能自然处理稀疏和不规则采样数据。然而,动力学模型的内部过程往往仅部分可观测,导致难以确定哪个模型实现最能解释观测数据,该问题在文献中称为结构不可辨识性。若分类器忽略此问题,会降低分类性能。为此,本文采用结构可辨识性分析,显式关联产生相同系统输出的参数配置。利用这些关系进行分类器训练,在多个生物医学模型上验证了该方法显著提升分类器对未见数据的泛化能力,尤其在训练样本有限时效果更明显。结果凸显了结构可辨识性的重要性,这一课题在机器学习领域尚未受到足够关注。
原文摘要 · Abstract (English)
The successful application of modern machine learning for time series classification is often hampered by limitations in quality and quantity of available training data. To overcome these limitations, domain knowledge can be leveraged in the form of parameterised mechanistic dynamical models, whereby time series observations may be represented as instances of a predefined class of dynamical systems. Provided the dynamical models are interpretable in terms of domain-specific variables and their dynamic interaction, the learning process becomes interpretable as well and enables the modeller to handle sparsely and irregularly sampled data naturally. However, the internal processes of a dynamical model are often only partially observed. This can lead to ambiguity regarding which particular model realization best explains a given time series observation. This problem is well-known in the literature, and a dynamical model with this issue is referred to as structurally unidentifiable. Training a classifier that ignores knowledge about a structurally unidentifiable dynamical model can negatively influence classification performance. To address this issue, we employ structural identifiability analysis to explicitly relate parameter configurations that are associated with identical system outputs. Using the derived relations in classifier training, we demonstrate that this method significantly improves the classifier's ability to generalize to unseen data on a number of example models from the biomedical domain. This effect is especially pronounced when the number of training instances is limited. Our results demonstrate the importance of structural identifiability, a topic that has received relatively little attention from the machine learning community.
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