提出新型梯度正则化因果发现框架,高效解析工业过程中的因果关系。
A Gradient-based Causal Discovery Framework with Applications to Complex Industrial Processes
- 基于输入输出梯度的L1正则化,仅需一个预测模型即可推断因果
- 在DREAM、Lorenz-96等数据集上优于现有方法,计算开销显著降低
- 适用于多种模型架构,适合基因调控网络等复杂系统建模
随着深度学习发展,基于神经网络的格兰杰因果模型被广泛提出。然而,现有方法多采用逐分量架构,需为每个时间序列构建独立模型,导致计算成本高;且对第一层权重施加稀疏惩罚会削弱对复杂交互的捕捉能力。为此,本文提出梯度正则化神经格兰杰因果(GRNGC)框架,仅需一个时间序列预测模型,通过在模型输入与输出间的梯度上施加L1正则化来推断因果关系。该方法不依赖特定预测模型,可适配KAN、MLP、LSTM等多种结构,具有更高灵活性。在DREAM、Lorenz-96、fMRI BOLD和CausalTime数据集上的数值实验表明,GRNGC性能优于现有基线,计算开销显著降低。真实世界中的DNA、酵母、HeLa及膀胱尿路上皮癌数据集实验进一步验证其在重构基因调控网络方面的有效性。
原文摘要 · Abstract (English)
With the advancement of deep learning technologies, various neural network-based Granger causality models have been proposed. Although these models have demonstrated notable improvements, several limitations remain. Most existing approaches adopt the component-wise architecture, necessitating the construction of a separate model for each time series, which results in substantial computational costs. In addition, imposing the sparsity-inducing penalty on the first-layer weights of the neural network to extract causal relationships weakens the model's ability to capture complex interactions. To address these limitations, we propose Gradient Regularization-based Neural Granger Causality (GRNGC), which requires only one time series prediction model and applies $L_{1}$ regularization to the gradient between model's input and output to infer Granger causality. Moreover, GRNGC is not tied to a specific time series forecasting model and can be implemented with diverse architectures such as KAN, MLP, and LSTM, offering enhanced flexibility. Numerical simulations on DREAM, Lorenz-96, fMRI BOLD, and CausalTime show that GRNGC outperforms existing baselines and significantly reduces computational overhead. Meanwhile, experiments on real-world DNA, Yeast, HeLa, and bladder urothelial carcinoma datasets further validate the model's effectiveness in reconstructing gene regulatory networks.
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