No Arabic abstract
Recent work on graph generative models has made remarkable progress towards generating increasingly realistic graphs, as measured by global graph features such as degree distribution, density, and clustering coefficients. Deep generative models have also made significant advances through better modelling of the local correlations in the graph topology, which have been very useful for predicting unobserved graph components, such as the existence of a link or the class of a node, from nearby observed graph components. A complete scientific understanding of graph data should address both global and local structure. In this paper, we propose a joint model for both as complementary objectives in a graph VAE framework. Global structure is captured by incorporating graph kernels in a probabilistic model whose loss function is closely related to the maximum mean discrepancy(MMD) between the global structures of the reconstructed and the input graphs. The ELBO objective derived from the model regularizes a standard local link reconstruction term with an MMD term. Our experiments demonstrate a significant improvement in the realism of the generated graph structures, typically by 1-2 orders of magnitude of graph structure metrics, compared to leading graph VAEand GAN models. Local link reconstruction improves as well in many cases.
Knowledge graph (KG) representation learning methods have achieved competitive performance in many KG-oriented tasks, among which the best ones are usually based on graph neural networks (GNNs), a powerful family of networks that learns the representation of an entity by aggregating the features of its neighbors and itself. However, many KG representation learning scenarios only provide the structure information that describes the relationships among entities, causing that entities have no input features. In this case, existing aggregation mechanisms are incapable of inducing embeddings of unseen entities as these entities have no pre-defined features for aggregation. In this paper, we present a decentralized KG representation learning approach, decentRL, which encodes each entity from and only from the embeddings of its neighbors. For optimization, we design an algorithm to distill knowledge from the model itself such that the output embeddings can continuously gain knowledge from the corresponding original embeddings. Extensive experiments show that the proposed approach performed better than many cutting-edge models on the entity alignment task, and achieved competitive performance on the entity prediction task. Furthermore, under the inductive setting, it significantly outperformed all baselines on both tasks.
This paper introduces a novel graph signal processing framework for building graph-based models from classes of filtered signals. In our framework, graph-based modeling is formulated as a graph system identification problem, where the goal is to learn a weighted graph (a graph Laplacian matrix) and a graph-based filter (a function of graph Laplacian matrices). In order to solve the proposed problem, an algorithm is developed to jointly identify a graph and a graph-based filter (GBF) from multiple signal/data observations. Our algorithm is valid under the assumption that GBFs are one-to-one functions. The proposed approach can be applied to learn diffusion (heat) kernels, which are popular in various fields for modeling diffusion processes. In addition, for specific choices of graph-based filters, the proposed problem reduces to a graph Laplacian estimation problem. Our experimental results demonstrate that the proposed algorithm outperforms the current state-of-the-art methods. We also implement our framework on a real climate dataset for modeling of temperature signals.
Graph convolution operator of the GCN model is originally motivated from a localized first-order approximation of spectral graph convolutions. This work stands on a different view; establishing a textit{mathematical connection between graph convolution and graph-regularized PCA} (GPCA). Based on this connection, GCN architecture, shaped by stacking graph convolution layers, shares a close relationship with stacking GPCA. We empirically demonstrate that the textit{unsupervised} embeddings by GPCA paired with a 1- or 2-layer MLP achieves similar or even better performance than GCN on semi-supervised node classification tasks across five datasets including Open Graph Benchmark footnote{url{https://ogb.stanford.edu/}}. This suggests that the prowess of GCN is driven by graph based regularization. In addition, we extend GPCA to the (semi-)supervised setting and show that it is equivalent to GPCA on a graph extended with ghost edges between nodes of the same label. Finally, we capitalize on the discovered relationship to design an effective initialization strategy based on stacking GPCA, enabling GCN to converge faster and achieve robust performance at large number of layers. Notably, the proposed initialization is general-purpose and applies to other GNNs.
Recent years have witnessed the emergence and flourishing of hierarchical graph pooling neural networks (HGPNNs) which are effective graph representation learning approaches for graph level tasks such as graph classification. However, current HGPNNs do not take full advantage of the graphs intrinsic structures (e.g., community structure). Moreover, the pooling operations in existing HGPNNs are difficult to be interpreted. In this paper, we propose a new interpretable graph pooling framework - CommPOOL, that can capture and preserve the hierarchical community structure of graphs in the graph representation learning process. Specifically, the proposed community pooling mechanism in CommPOOL utilizes an unsupervised approach for capturing the inherent community structure of graphs in an interpretable manner. CommPOOL is a general and flexible framework for hierarchical graph representation learning that can further facilitate various graph-level tasks. Evaluations on five public benchmark datasets and one synthetic dataset demonstrate the superior performance of CommPOOL in graph representation learning for graph classification compared to the state-of-the-art baseline methods, and its effectiveness in capturing and preserving the community structure of graphs.
Learning node representations that incorporate information from graph structure benefits wide range of tasks on graph. The majority of existing graph neural networks (GNNs) have limited power in capturing position information for a given node. The idea of positioning nodes with selected anchors has been exploited, yet mainly relying on explicit labeling of distance information. Here we propose Graph Inference Representation (GIR), an anchor based GNN model encoding path information related to pre-selected anchors for each node. Abilities to get position-aware embeddings are theoretically and experimentally investigated on GIR and its core variants. Further, the complementarity between GIRs and typical GNNs is demonstrated. We show that GIRs get outperformed results in position-aware scenarios, and performances on typical GNNs could be improved by fusing GIR embeddings.