Kazi Anees, Cosmo Luca, Ahmadi Seyed-Ahmad, Navab Nassir, Bronstein Michael M
IEEE Trans Pattern Anal Mach Intell. 2023 Feb;45(2):1606-1617. doi: 10.1109/TPAMI.2022.3170249. Epub 2023 Jan 6.
Graph deep learning has recently emerged as a powerful ML concept allowing to generalize successful deep neural architectures to non-euclidean structured data. Such methods have shown promising results on a broad spectrum of applications ranging from social science, biomedicine, and particle physics to computer vision, graphics, and chemistry. One of the limitations of the majority of current graph neural network architectures is that they are often restricted to the transductive setting and rely on the assumption that the underlying graph is known and fixed. Often, this assumption is not true since the graph may be noisy, or partially and even completely unknown. In such cases, it would be helpful to infer the graph directly from the data, especially in inductive settings where some nodes were not present in the graph at training time. Furthermore, learning a graph may become an end in itself, as the inferred structure may provide complementary insights next to the downstream task. In this paper, we introduce Differentiable Graph Module (DGM), a learnable function that predicts edge probabilities in the graph which are optimal for the downstream task. DGM can be combined with convolutional graph neural network layers and trained in an end-to-end fashion. We provide an extensive evaluation of applications from the domains of healthcare (disease prediction), brain imaging (age prediction), computer graphics (3D point cloud segmentation), and computer vision (zero-shot learning). We show that our model provides a significant improvement over baselines both in transductive and inductive settings and achieves state-of-the-art results.
图深度学习最近已成为一种强大的机器学习概念,它能够将成功的深度神经网络架构推广到非欧几里得结构的数据。这类方法在从社会科学、生物医学、粒子物理到计算机视觉、图形学和化学等广泛的应用领域都显示出了有前景的成果。当前大多数图神经网络架构的局限性之一在于,它们通常局限于转导设置,并依赖于基础图已知且固定的假设。然而,这种假设往往并不成立,因为图可能存在噪声,或者部分甚至完全未知。在这种情况下,直接从数据中推断图会很有帮助,特别是在归纳设置中,即在训练时图中不存在某些节点的情况。此外,学习图本身可能会成为一个目标,因为推断出的结构可能会在下游任务之外提供补充性的见解。在本文中,我们介绍了可微图模块(DGM),这是一种可学习的函数,它能预测图中对下游任务最优的边概率。DGM可以与卷积图神经网络层相结合,并以端到端的方式进行训练。我们对来自医疗保健(疾病预测)、脑成像(年龄预测)、计算机图形学(3D点云分割)和计算机视觉(零样本学习)等领域的应用进行了广泛评估。我们表明,我们的模型在转导和归纳设置中都比基线有显著改进,并取得了当前最优的结果。