Beini Xie

Beini Xie, Heng Chang, Ziwei Zhang et al. · tsinghua

Graph Neural Networks (GNNs) obtain tremendous success in modeling relational data. Still, they are prone to adversarial attacks, which are massive threats to applying GNNs to risk-sensitive domains. Existing defensive methods neither guarantee performance facing new data/tasks or adversarial attacks nor provide insights to understand GNN robustness from an architectural perspective. Neural Architecture Search (NAS) has the potential to solve this problem by automating GNN architecture designs. Nevertheless, current graph NAS approaches lack robust design and are vulnerable to adversarial attacks. To tackle these challenges, we propose a novel Robust Neural Architecture search framework for GNNs (G-RNA). Specifically, we design a robust search space for the message-passing mechanism by adding graph structure mask operations into the search space, which comprises various defensive operation candidates and allows us to search for defensive GNNs. Furthermore, we define a robustness metric to guide the search procedure, which helps to filter robust architectures. In this way, G-RNA helps understand GNN robustness from an architectural perspective and effectively searches for optimal adversarial robust GNNs. Extensive experimental results on benchmark datasets show that G-RNA significantly outperforms manually designed robust GNNs and vanilla graph NAS baselines by 12.1% to 23.4% under adversarial attacks.

Xin Wang, Heng Chang, Beini Xie et al. · tsinghua

Graph neural networks (GNNs) have achieved tremendous success in the task of graph classification and its diverse downstream real-world applications. Despite the huge success in learning graph representations, current GNN models have demonstrated their vulnerability to potentially existent adversarial examples on graph-structured data. Existing approaches are either limited to structure attacks or restricted to local information, urging for the design of a more general attack framework on graph classification, which faces significant challenges due to the complexity of generating local-node-level adversarial examples using the global-graph-level information. To address this "global-to-local" attack challenge, we present a novel and general framework to generate adversarial examples via manipulating graph structure and node features. Specifically, we make use of Graph Class Activation Mapping and its variant to produce node-level importance corresponding to the graph classification task. Then through a heuristic design of algorithms, we can perform both feature and structure attacks under unnoticeable perturbation budgets with the help of both node-level and subgraph-level importance. Experiments towards attacking four state-of-the-art graph classification models on six real-world benchmarks verify the flexibility and effectiveness of our framework.

Ziwei Zhang, Yijian Qin, Zeyang Zhang et al.

Recent years have witnessed an upsurge in research interests and applications of machine learning on graphs. However, manually designing the optimal machine learning algorithms for different graph datasets and tasks is inflexible, labor-intensive, and requires expert knowledge, limiting its adaptivity and applicability. Automated machine learning (AutoML) on graphs, aiming to automatically design the optimal machine learning algorithm for a given graph dataset and task, has received considerable attention. However, none of the existing libraries can fully support AutoML on graphs. To fill this gap, we present Automated Graph Learning (AutoGL), the first dedicated library for automated machine learning on graphs. AutoGL is open-source, easy to use, and flexible to be extended. Specifically, we propose a three-layer architecture, consisting of backends to interface with devices, a complete automated graph learning pipeline, and supported graph applications. The automated machine learning pipeline further contains five functional modules: auto feature engineering, neural architecture search, hyper-parameter optimization, model training, and auto ensemble, covering the majority of existing AutoML methods on graphs. For each module, we provide numerous state-of-the-art methods and flexible base classes and APIs, which allow easy usage and customization. We further provide experimental results to showcase the usage of our AutoGL library. We also present AutoGL-light, a lightweight version of AutoGL to facilitate customizing pipelines and enriching applications, as well as benchmarks for graph neural architecture search. The codes of AutoGL are publicly available at https://github.com/THUMNLab/AutoGL.

Beini Xie, Heng Chang, Ziwei Zhang et al.

Graph Neural Architecture Search (GNAS) has achieved superior performance on various graph-structured tasks. However, existing GNAS studies overlook the applications of GNAS in resource-constraint scenarios. This paper proposes to design a joint graph data and architecture mechanism, which identifies important sub-architectures via the valuable graph data. To search for optimal lightweight Graph Neural Networks (GNNs), we propose a Lightweight Graph Neural Architecture Search with Graph SparsIfication and Network Pruning (GASSIP) method. In particular, GASSIP comprises an operation-pruned architecture search module to enable efficient lightweight GNN search. Meanwhile, we design a novel curriculum graph data sparsification module with an architecture-aware edge-removing difficulty measurement to help select optimal sub-architectures. With the aid of two differentiable masks, we iteratively optimize these two modules to efficiently search for the optimal lightweight architecture. Extensive experiments on five benchmarks demonstrate the effectiveness of GASSIP. Particularly, our method achieves on-par or even higher node classification performance with half or fewer model parameters of searched GNNs and a sparser graph.