Shaohua Fan

Shaohua Fan, Xiao Wang, Yanhu Mo et al.

Most Graph Neural Networks (GNNs) predict the labels of unseen graphs by learning the correlation between the input graphs and labels. However, by presenting a graph classification investigation on the training graphs with severe bias, surprisingly, we discover that GNNs always tend to explore the spurious correlations to make decision, even if the causal correlation always exists. This implies that existing GNNs trained on such biased datasets will suffer from poor generalization capability. By analyzing this problem in a causal view, we find that disentangling and decorrelating the causal and bias latent variables from the biased graphs are both crucial for debiasing. Inspiring by this, we propose a general disentangled GNN framework to learn the causal substructure and bias substructure, respectively. Particularly, we design a parameterized edge mask generator to explicitly split the input graph into causal and bias subgraphs. Then two GNN modules supervised by causal/bias-aware loss functions respectively are trained to encode causal and bias subgraphs into their corresponding representations. With the disentangled representations, we synthesize the counterfactual unbiased training samples to further decorrelate causal and bias variables. Moreover, to better benchmark the severe bias problem, we construct three new graph datasets, which have controllable bias degrees and are easier to visualize and explain. Experimental results well demonstrate that our approach achieves superior generalization performance over existing baselines. Furthermore, owing to the learned edge mask, the proposed model has appealing interpretability and transferability. Code and data are available at: https://github.com/googlebaba/DisC.

Shaohua Fan, Shuyang Zhang, Xiao Wang et al.

Estimating the structure of directed acyclic graphs (DAGs) of features (variables) plays a vital role in revealing the latent data generation process and providing causal insights in various applications. Although there have been many studies on structure learning with various types of data, the structure learning on the dynamic graph has not been explored yet, and thus we study the learning problem of node feature generation mechanism on such ubiquitous dynamic graph data. In a dynamic graph, we propose to simultaneously estimate contemporaneous relationships and time-lagged interaction relationships between the node features. These two kinds of relationships form a DAG, which could effectively characterize the feature generation process in a concise way. To learn such a DAG, we cast the learning problem as a continuous score-based optimization problem, which consists of a differentiable score function to measure the validity of the learned DAGs and a smooth acyclicity constraint to ensure the acyclicity of the learned DAGs. These two components are translated into an unconstraint augmented Lagrangian objective which could be minimized by mature continuous optimization techniques. The resulting algorithm, named GraphNOTEARS, outperforms baselines on simulated data across a wide range of settings that may encounter in real-world applications. We also apply the proposed approach on two dynamic graphs constructed from the real-world Yelp dataset, demonstrating our method could learn the connections between node features, which conforms with the domain knowledge.

Shaohua Fan, Xiao Wang, Chuan Shi et al.

Most existing Graph Neural Networks (GNNs) are proposed without considering the selection bias in data, i.e., the inconsistent distribution between the training set with test set. In reality, the test data is not even available during the training process, making selection bias agnostic. Training GNNs with biased selected nodes leads to significant parameter estimation bias and greatly impacts the generalization ability on test nodes. In this paper, we first present an experimental investigation, which clearly shows that the selection bias drastically hinders the generalization ability of GNNs, and theoretically prove that the selection bias will cause the biased estimation on GNN parameters. Then to remove the bias in GNN estimation, we propose a novel Debiased Graph Neural Networks (DGNN) with a differentiated decorrelation regularizer. The differentiated decorrelation regularizer estimates a sample weight for each labeled node such that the spurious correlation of learned embeddings could be eliminated. We analyze the regularizer in causal view and it motivates us to differentiate the weights of the variables based on their contribution on the confounding bias. Then, these sample weights are used for reweighting GNNs to eliminate the estimation bias, thus help to improve the stability of prediction on unknown test nodes. Comprehensive experiments are conducted on several challenging graph datasets with two kinds of label selection biases. The results well verify that our proposed model outperforms the state-of-the-art methods and DGNN is a flexible framework to enhance existing GNNs.