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Register a new userGraph Kernel Attention Transformers
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Added by
Han Lin
Publication date
2021
fields
Informatics Engineering
and research's language is
English
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We introduce a new class of graph neural networks (GNNs), by combining several concepts that were so far studied independently - graph kernels, attention-based networks with structural priors and more recently, efficient Transformers architectures applying small memory footprint implicit attention methods via low rank decomposition techniques. The goal of the paper is twofold. Proposed by us Graph Kernel Attention Transformers (or GKATs) are much more expressive than SOTA GNNs as capable of modeling longer-range dependencies within a single layer. Consequently, they can use more shallow architecture design. Furthermore, GKAT attention layers scale linearly rather than quadratically in the number of nodes of the input graphs, even when those graphs are dense, requiring less compute than their regular graph attention counterparts. They achieve it by applying new classes of graph kernels admitting random feature map decomposition via random walks on graphs. As a byproduct of the introduced techniques, we obtain a new class of learnable graph sketches, called graphots, compactly encoding topological graph properties as well as nodes features. We conducted exhaustive empirical comparison of our method with nine different GNN classes on tasks ranging from motif detection through social network classification to bioinformatics challenges, showing consistent gains coming from GKATs.
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textit{Attention} computes the dependency between representations, and it encourages the model to focus on the important selective features. Attention-based models, such as Transformer and graph attention network (GAT), are widely utilized for sequential data and graph-structured data. This paper suggests a new interpretation and generalized structure of the attention in Transformer and GAT. For the attention in Transformer and GAT, we derive that the attention is a product of two parts: 1) the RBF kernel to measure the similarity of two instances and 2) the exponential of $L^{2}$ norm to compute the importance of individual instances. From this decomposition, we generalize the attention in three ways. First, we propose implicit kernel attention with an implicit kernel function instead of manual kernel selection. Second, we generalize $L^{2}$ norm as the $L^{p}$ norm. Third, we extend our attention to structured multi-head attention. Our generalized attention shows better performance on classification, translation, and regression tasks.
The Transformer architecture has become a dominant choice in many domains, such as natural language processing and computer vision. Yet, it has not achieved competitive performance on popular leaderboards of graph-level prediction compared to mainstream GNN variants. Therefore, it remains a mystery how Transformers could perform well for graph representation learning. In this paper, we solve this mystery by presenting Graphormer, which is built upon the standard Transformer architecture, and could attain excellent results on a broad range of graph representation learning tasks, especially on the recent OGB Large-Scale Challenge. Our key insight to utilizing Transformer in the graph is the necessity of effectively encoding the structural information of a graph into the model. To this end, we propose several simple yet effective structural encoding methods to help Graphormer better model graph-structured data. Besides, we mathematically characterize the expressive power of Graphormer and exhibit that with our ways of encoding the structural information of graphs, many popular GNN variants could be covered as the special cases of Graphormer.
Graph convolutional networks (GCN) have recently demonstrated their potential in analyzing non-grid structure data that can be represented as graphs. The core idea is to encode the local topology of a graph, via convolutions, into the feature of a center node. In this paper, we propose a novel GCN model, which we term as Shortest Path Graph Attention Network (SPAGAN). Unlike conventional GCN models that carry out node-based attentions within each layer, the proposed SPAGAN conducts path-based attention that explicitly accounts for the influence of a sequence of nodes yielding the minimum cost, or shortest path, between the center node and its higher-order neighbors. SPAGAN therefore allows for a more informative and intact exploration of the graph structure and further {a} more effective aggregation of information from distant neighbors into the center node, as compared to node-based GCN methods. We test SPAGAN on the downstream classification task on several standard datasets, and achieve performances superior to the state of the art. Code is publicly available at https://github.com/ihollywhy/SPAGAN.
Graph neural networks (GNN) have been ubiquitous in graph learning tasks such as node classification. Most of GNN methods update the node embedding iteratively by aggregating its neighbors information. However, they often suffer from negative disturbance, due to edges connecting nodes with different labels. One approach to alleviate this negative disturbance is to use attention, but current attention always considers feature similarity and suffers from the lack of supervision. In this paper, we consider the label dependency of graph nodes and propose a decoupling attention mechanism to learn both hard and soft attention. The hard attention is learned on labels for a refined graph structure with fewer inter-class edges. Its purpose is to reduce the aggregations negative disturbance. The soft attention is learned on features maximizing the information gain by message passing over better graph structures. Moreover, the learned attention guides the label propagation and the feature propagation. Extensive experiments are performed on five well-known benchmark graph datasets to verify the effectiveness of the proposed method.
Noise and inconsistency commonly exist in real-world information networks, due to inherent error-prone nature of human or user privacy concerns. To date, tremendous efforts have been made to advance feature learning from networks, including the most recent Graph Convolutional Networks (GCN) or attention GCN, by integrating node content and topology structures. However, all existing methods consider networks as error-free sources and treat feature content in each node as independent and equally important to model node relations. The erroneous node content, combined with sparse features, provide essential challenges for existing methods to be used on real-world noisy networks. In this paper, we propose FA-GCN, a feature-attention graph convolution learning framework, to handle networks with noisy and sparse node content. To tackle noise and sparse content in each node, FA-GCN first employs a long short-term memory (LSTM) network to learn dense representation for each feature. To model interactions between neighboring nodes, a feature-attention mechanism is introduced to allow neighboring nodes learn and vary feature importance, with respect to their connections. By using spectral-based graph convolution aggregation process, each node is allowed to concentrate more on the most determining neighborhood features aligned with the corresponding learning task. Experiments and validations, w.r.t. different noise levels, demonstrate that FA-GCN achieves better performance than state-of-the-art methods on both noise-free and noisy networks.
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