论文标题
通过可学习的随机注入可解释的几何深度学习
Interpretable Geometric Deep Learning via Learnable Randomness Injection
论文作者
论文摘要
点云数据在科学领域无处不在。最近,几何深度学习(GDL)已被广泛应用于使用此类数据解决预测任务。但是,GDL模型通常是复杂的,几乎不可解释,这对在科学分析和实验中部署这些模型的科学家提出了关注。这项工作提出了一种通用机制,可学习的随机注射(LRI),该机制允许基于一般GDL骨架的固有解释模型构建可解释的模型。 LRI诱导的模型一旦训练,就可以检测到指示预测标签的信息的点云数据中的点。我们还提出了来自实际科学应用程序的四个数据集,这些数据集涵盖了评估LRI机制的高能量物理和生物化学领域。与以前的事后解释方法相比,LRI检测到的点更好,稳定器与具有实际科学含义的基础模式。 LRI是基于信息瓶颈原则的基础,因此LRI诱导的模型也更适合训练和测试场景之间的分配变化。我们的代码和数据集可在\ url {https://github.com/graph-com/lri}上获得。
Point cloud data is ubiquitous in scientific fields. Recently, geometric deep learning (GDL) has been widely applied to solve prediction tasks with such data. However, GDL models are often complicated and hardly interpretable, which poses concerns to scientists who are to deploy these models in scientific analysis and experiments. This work proposes a general mechanism, learnable randomness injection (LRI), which allows building inherently interpretable models based on general GDL backbones. LRI-induced models, once trained, can detect the points in the point cloud data that carry information indicative of the prediction label. We also propose four datasets from real scientific applications that cover the domains of high-energy physics and biochemistry to evaluate the LRI mechanism. Compared with previous post-hoc interpretation methods, the points detected by LRI align much better and stabler with the ground-truth patterns that have actual scientific meanings. LRI is grounded by the information bottleneck principle, and thus LRI-induced models are also more robust to distribution shifts between training and test scenarios. Our code and datasets are available at \url{https://github.com/Graph-COM/LRI}.