Efficient Topology-aware Data Augmentation for High-Degree Graph Neural Networks

In recent years, graph neural networks (GNNs) have emerged as a potent tool for learning on graph-structured data and won fruitful successes in varied fields. The majority of GNNs follow the message-passing paradigm, where representations of each node are learned by recursively aggregating features of its neighbors. However, this mechanism brings severe over-smoothing and efficiency issues over high-degree graphs (HDGs), wherein most nodes have dozens (or even hundreds) of neighbors, such as social networks, transaction graphs, power grids, etc. Additionally, such graphs usually encompass rich and complex structure semantics, which are hard to capture merely by feature aggregations in GNNs. Motivated by the above limitations, we propose TADA, an efficient and effective front-mounted data augmentation framework for GNNs on HDGs. Under the hood, TADA includes two key modules: (i) feature expansion with structure embeddings, and (ii) topology- and attribute-aware graph sparsification. The former obtains augmented node features and enhanced model capacity by encoding the graph structure into high-quality structure embeddings with our highly-efficient sketching method. Further, by exploiting task-relevant features extracted from graph structures and attributes, the second module enables the accurate identification and reduction of numerous redundant/noisy edges from the input graph, thereby alleviating over-smoothing and facilitating faster feature aggregations over HDGs. Empirically, TADA considerably improves the predictive performance of mainstream GNN models on 8 real homophilic/heterophilic HDGs in terms of node classification, while achieving efficient training and inference processes.

Self-attention Dual Embedding for Graphs with Heterophily

Graph Neural Networks (GNNs) have been highly successful for the node classification task. GNNs typically assume graphs are homophilic, i.e. neighboring nodes are likely to belong to the same class. However, a number of real-world graphs are heterophilic, and this leads to much lower classification accuracy using standard GNNs. In this work, we design a novel GNN which is effective for both heterophilic and homophilic graphs. Our work is based on three main observations. First, we show that node features and graph topology provide different amounts of informativeness in different graphs, and therefore they should be encoded independently and prioritized in an adaptive manner. Second, we show that allowing negative attention weights when propagating graph topology information improves accuracy. Finally, we show that asymmetric attention weights between nodes are helpful. We design a GNN which makes use of these observations through a novel self-attention mechanism. We evaluate our algorithm on real-world graphs containing thousands to millions of nodes and show that we achieve state-of-the-art results compared to existing GNNs. We also analyze the effectiveness of the main components of our design on different graphs.

Denoised Internal Models: a Brain-Inspired Autoencoder against Adversarial Attacks

Despite its great success, deep learning severely suffers from robustness; that is, deep neural networks are very vulnerable to adversarial attacks, even the simplest ones. Inspired by recent advances in brain science, we propose the Denoised Internal Models (DIM), a novel generative autoencoder-based model to tackle this challenge. Simulating the pipeline in the human brain for visual signal processing, DIM adopts a two-stage approach. In the first stage, DIM uses a denoiser to reduce the noise and the dimensions of inputs, reflecting the information pre-processing in the thalamus. Inspired from the sparse coding of memory-related traces in the primary visual cortex, the second stage produces a set of internal models, one for each category. We evaluate DIM over 42 adversarial attacks, showing that DIM effectively defenses against all the attacks and outperforms the SOTA on the overall robustness.