用注意力机制让神经网络在表格数据上更准更可解释。
A Neural Network Alternative to Tree-based Models

- 用注意力机制自动捕捉表格特征重要性,实现结构化稀疏
- 在生物数据集上性能超越树模型,达当前最优水平
- 可直接提取可解释洞察,优于SHAP等事后分析方法
表格数据广泛应用于生物学等科学领域。尽管这些领域已采用人工智能方法提升研究,但仍主要依赖树模型因其可解释性。而人工神经网络在复杂非表格问题上表现出更强的灵活性与深度,但在表格数据上的性能和可解释性仍落后于树模型。虽然稀疏性已被证明能提升神经网络在复杂非表格数据上的可解释性与性能,但如何在训练前对表格数据的神经网络进行结构性、格式化稀疏约束仍是未解问题。为此,我们提出一种通过注意力机制捕获表格数据特征重要性的方法。结果表明,带有注意力机制的稀疏表格神经网络(sTAB-Net)在生物数据集上表现优于树模型,达到当前最优水平。该模型还能直接提取数据洞察,性能优于如SHAP等事后可解释性方法。
原文摘要 · Abstract (English)
Tabular datasets are widely used in scientific disciplines such as biology. While these disciplines have already adopted AI methods to enhance their findings and analysis, they mainly use tree-based methods due to their interpretability. At the same time, artificial neural networks have been shown to offer superior flexibility and depth for rich and complex non-tabular problems, but they are falling behind tree-based models for tabular data in terms of performance and interpretability. Although sparsity has been shown to improve the interpretability and performance of ANN models for complex non-tabular datasets, enforcing sparsity structurally and formatively for tabular data before training the model, remains an open question. To address this question, we establish a method that infuses sparsity in neural networks by utilising attention mechanisms to capture the features' importance in tabular datasets. We show that our models, Sparse TABular NET or sTAB-Net with attention mechanisms, are more effective than tree-based models, reaching the state-of-the-art on biological datasets. They further permit the extraction of insights from these datasets and achieve better performance than post-hoc methods like SHAP.
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