Given the input graph and its label/property, several key problems of graph learning, such as finding interpretable subgraphs, graph denoising and graph compression, can be attributed to the fundamental problem of recognizing a subgraph of the original one. This subgraph shall be as informative as possible, yet contains less redundant and noisy structure. This problem setting is closely related to the well-known information bottleneck (IB) principle, which, however, has less been studied for the irregular graph data and graph neural networks (GNNs). In this paper, we propose a framework of Graph Information Bottleneck (GIB) for the subgraph recognition problem in deep graph learning. Under this framework, one can recognize the maximally informative yet compressive subgraph, named IB-subgraph. However, the GIB objective is notoriously hard to optimize, mostly due to the intractability of the mutual information of irregular graph data and the unstable optimization process. In order to tackle these challenges, we propose: i) a GIB objective based-on a mutual information estimator for the irregular graph data; ii) a bi-level optimization scheme to maximize the GIB objective; iii) a connectivity loss to stabilize the optimization process. We evaluate the properties of the IB-subgraph in three application scenarios: improvement of graph classification, graph interpretation and graph denoising. Extensive experiments demonstrate that the information-theoretic IB-subgraph enjoys superior graph properties.
It has become a de-facto standard to represent words as elements of a vector space (word2vec, GloVe). While this approach is convenient, it is unnatural for language: words form a graph with a latent hierarchical structure, and this structure has to be revealed and encoded by word embeddings. We introduce GraphGlove: unsupervised graph word representations which are learned end-to-end. In our setting, each word is a node in a weighted graph and the distance between words is the shortest path distance between the corresponding nodes. We adopt a recent method learning a representation of data in the form of a differentiable weighted graph and use it to modify the GloVe training algorithm. We show that our graph-based representations substantially outperform vector-based methods on word similarity and analogy tasks. Our analysis reveals that the structure of the learned graphs is hierarchical and similar to that of WordNet, the geometry is highly non-trivial and contains subgraphs with different local topology.
This article presents matrix backpropagation algorithms for the QR decomposition of matrices $A_{m, n}$, that are either square (m = n), wide (m < n), or deep (m > n), with rank $k = min(m, n)$. Furthermore, we derive novel matrix backpropagation results for the pivoted (full-rank) QR decomposition and for the LQ decomposition of deep input matrices. Differentiable QR decomposition offers a numerically stable, computationally efficient method to solve least squares problems frequently encountered in machine learning and computer vision. Other use cases such as graph learning and network compression are listed in the article. Software implementation across popular deep learning frameworks (PyTorch, TensorFlow, MXNet) incorporate the methods for general use within the deep learning community. Furthermore, this article aids the practitioner in understanding the matrix backpropagation methodology as part of larger computational graphs.
Knowledge graphs capture entities and relations from long documents and can facilitate reasoning in many downstream applications. Extracting compact knowledge graphs containing only salient entities and relations is important but challenging for understanding and summarizing long documents. We introduce a new text-to-graph task of predicting summarized knowledge graphs from long documents. We develop a dataset of 200k document/graph pairs using automatic and human annotations. We also develop strong baselines for this task based on graph learning and text summarization, and provide quantitative and qualitative studies of their effect.
Graph Neural Networks (GNNs) are widely used deep learning models that learn meaningful representations from graph-structured data. Due to the finite nature of the underlying recurrent structure, current GNN methods may struggle to capture long-range dependencies in underlying graphs. To overcome this difficulty, we propose a graph learning framework, called Implicit Graph Neural Networks (IGNN), where predictions are based on the solution of a fixed-point equilibrium equation involving implicitly defined "state" vectors. We use the Perron-Frobenius theory to derive sufficient conditions that ensure well-posedness of the framework. Leveraging implicit differentiation, we derive a tractable projected gradient descent method to train the framework. Experiments on a comprehensive range of tasks show that IGNNs consistently capture long-range dependencies and outperform the state-of-the-art GNN models.
Recent studies on Graph Convolutional Networks (GCNs) reveal that the initial node representations (i.e., the node representations before the first-time graph convolution) largely affect the final model performance. However, when learning the initial representation for a node, most existing work linearly combines the embeddings of node features, without considering the interactions among the features (or feature embeddings). We argue that when the node features are categorical, e.g., in many real-world applications like user profiling and recommender system, feature interactions usually carry important signals for predictive analytics. Ignoring them will result in suboptimal initial node representation and thus weaken the effectiveness of the follow-up graph convolution. In this paper, we propose a new GCN model named CatGCN, which is tailored for graph learning when the node features are categorical. Specifically, we integrate two ways of explicit interaction modeling into the learning of initial node representation, i.e., local interaction modeling on each pair of node features and global interaction modeling on an artificial feature graph. We then refine the enhanced initial node representations with the neighborhood aggregation-based graph convolution. We train CatGCN in an end-to-end fashion and demonstrate it on semi-supervised node classification. Extensive experiments on three tasks of user profiling (the prediction of user age, city, and purchase level) from Tencent and Alibaba datasets validate the effectiveness of CatGCN, especially the positive effect of performing feature interaction modeling before graph convolution.
Graph neural networks (GNN) are powerful models for many graph-structured tasks. Existing models often assume that the complete structure of the graph is available during training. In practice, however, graph-structured data is usually formed in a streaming fashion so that learning a graph continuously is often necessary. In this paper, we bridge GNN and lifelong learning by converting a continual graph learning problem to a regular graph learning problem so GNN can inherit the lifelong learning techniques developed for convolutional neural networks (CNN). We propose a new topology, the feature graph, which takes features as new nodes and turns nodes into independent graphs. This successfully converts the original problem of node classification to graph classification. In the experiments, we demonstrate the efficiency and effectiveness of feature graph networks (FGN) by continuously learning a sequence of classical graph datasets. We also show that FGN achieves superior performance in two applications, i.e., lifelong human action recognition with wearable devices and feature matching. To the best of our knowledge, FGN is the first method to bridge graph learning and lifelong learning via a novel graph topology. Source code is available at https://github.com/wang-chen/LGL
Graph learning has emerged as a promising technique for multi-view clustering with its ability to learn a unified and robust graph from multiple views. However, existing graph learning methods mostly focus on the multi-view consistency issue, yet often neglect the inconsistency across multiple views, which makes them vulnerable to possibly low-quality or noisy datasets. To overcome this limitation, we propose a new multi-view graph learning framework, which for the first time simultaneously and explicitly models multi-view consistency and multi-view inconsistency in a unified objective function, through which the consistent and inconsistent parts of each single-view graph as well as the unified graph that fuses the consistent parts can be iteratively learned. Though optimizing the objective function is NP-hard, we design a highly efficient optimization algorithm which is able to obtain an approximate solution with linear time complexity in the number of edges in the unified graph. Furthermore, our multi-view graph learning approach can be applied to both similarity graphs and dissimilarity graphs, which lead to two graph fusion-based variants in our framework. Experiments on twelve multi-view datasets have demonstrated the robustness and efficiency of the proposed approach.
Human emotion is expressed, perceived and captured using a variety of dynamic data modalities, such as speech (verbal), videos (facial expressions) and motion sensors (body gestures). We propose a generalized approach to emotion recognition that can adapt across modalities by modeling dynamic data as structured graphs. The motivation behind the graph approach is to build compact models without compromising on performance. To alleviate the problem of optimal graph construction, we cast this as a joint graph learning and classification task. To this end, we present the Learnable Graph Inception Network (L-GrIN) that jointly learns to recognize emotion and to identify the underlying graph structure in the dynamic data. Our architecture comprises multiple novel components: a new graph convolution operation, a graph inception layer, learnable adjacency, and a learnable pooling function that yields a graph-level embedding. We evaluate the proposed architecture on five benchmark emotion recognition databases spanning three different modalities (video, audio, motion capture), where each database captures one of the following emotional cues: facial expressions, speech and body gestures. We achieve state-of-the-art performance on all five databases outperforming several competitive baselines and relevant existing methods. Our graph architecture shows superior performance with significantly fewer parameters (compared to convolutional or recurrent neural networks) promising its applicability to resource-constrained devices.
To address the problem of data inconsistencies among different facial expression recognition (FER) datasets, many cross-domain FER methods (CD-FERs) have been extensively devised in recent years. Although each declares to achieve superior performance, fair comparisons are lacking due to the inconsistent choices of the source/target datasets and feature extractors. In this work, we first analyze the performance effect caused by these inconsistent choices, and then re-implement some well-performing CD-FER and recently published domain adaptation algorithms. We ensure that all these algorithms adopt the same source datasets and feature extractors for fair CD-FER evaluations. We find that most of the current leading algorithms use adversarial learning to learn holistic domain-invariant features to mitigate domain shifts. However, these algorithms ignore local features, which are more transferable across different datasets and carry more detailed content for fine-grained adaptation. To address these issues, we integrate graph representation propagation with adversarial learning for cross-domain holistic-local feature co-adaptation by developing a novel adversarial graph representation adaptation (AGRA) framework. Specifically, it first builds two graphs to correlate holistic and local regions within each domain and across different domains, respectively. Then, it extracts holistic-local features from the input image and uses learnable per-class statistical distributions to initialize the corresponding graph nodes. Finally, two stacked graph convolution networks (GCNs) are adopted to propagate holistic-local features within each domain to explore their interaction and across different domains for holistic-local feature co-adaptation. We conduct extensive and fair evaluations on several popular benchmarks and show that the proposed AGRA framework outperforms previous state-of-the-art methods.
Domain adaptation techniques, which focus on adapting models between distributionally different domains, are rarely explored in the video recognition area due to the significant spatial and temporal shifts across the source (i.e. training) and target (i.e. test) domains. As such, recent works on visual domain adaptation which leverage adversarial learning to unify the source and target video representations and strengthen the feature transferability are not highly effective on the videos. To overcome this limitation, in this paper, we learn a domain-agnostic video classifier instead of learning domain-invariant representations, and propose an Adversarial Bipartite Graph (ABG) learning framework which directly models the source-target interactions with a network topology of the bipartite graph. Specifically, the source and target frames are sampled as heterogeneous vertexes while the edges connecting two types of nodes measure the affinity among them. Through message-passing, each vertex aggregates the features from its heterogeneous neighbors, forcing the features coming from the same class to be mixed evenly. Explicitly exposing the video classifier to such cross-domain representations at the training and test stages makes our model less biased to the labeled source data, which in-turn results in achieving a better generalization on the target domain. To further enhance the model capacity and testify the robustness of the proposed architecture on difficult transfer tasks, we extend our model to work in a semi-supervised setting using an additional video-level bipartite graph. Extensive experiments conducted on four benchmarks evidence the effectiveness of the proposed approach over the SOTA methods on the task of video recognition.
Graph Convolutional Network (GCN) has experienced great success in graph analysis tasks. It works by smoothing the node features across the graph. The current GCN models overwhelmingly assume that the node feature information is complete. However, real-world graph data are often incomplete and containing missing features. Traditionally, people have to estimate and fill in the unknown features based on imputation techniques and then apply GCN. However, the process of feature filling and graph learning are separated, resulting in degraded and unstable performance. This problem becomes more serious when a large number of features are missing. We propose an approach that adapts GCN to graphs containing missing features. In contrast to traditional strategy, our approach integrates the processing of missing features and graph learning within the same neural network architecture. Our idea is to represent the missing data by Gaussian Mixture Model (GMM) and calculate the expected activation of neurons in the first hidden layer of GCN, while keeping the other layers of the network unchanged. This enables us to learn the GMM parameters and network weight parameters in an end-to-end manner. Notably, our approach does not increase the computational complexity of GCN and it is consistent with GCN when the features are complete. We demonstrate through extensive experiments that our approach significantly outperforms the imputation-based methods in node classification and link prediction tasks. We show that the performance of our approach for the case with a low level of missing features is even superior to GCN for the case with complete features.
Graph neural networks (GNNs) have emerged as a powerful approach for solving many network mining tasks. However, learning on large graphs remains a challenge - many recently proposed scalable GNN approaches rely on an expensive message-passing procedure to propagate information through the graph. We present the PPRGo model which utilizes an efficient approximation of information diffusion in GNNs resulting in significant speed gains while maintaining state-of-the-art prediction performance. In addition to being faster, PPRGo is inherently scalable, and can be trivially parallelized for large datasets like those found in industry settings. We demonstrate that PPRGo outperforms baselines in both distributed and single-machine training environments on a number of commonly used academic graphs. To better analyze the scalability of large-scale graph learning methods, we introduce a novel benchmark graph with 12.4 million nodes, 173 million edges, and 2.8 million node features. We show that training PPRGo from scratch and predicting labels for all nodes in this graph takes under 2 minutes on a single machine, far outpacing other baselines on the same graph. We discuss the practical application of PPRGo to solve large-scale node classification problems at Google.
Today, there are two major understandings for graph convolutional networks, i.e., in the spectral and spatial domain. But both lack transparency. In this work, we introduce a new understanding for it -- data augmentation, which is more transparent than the previous understandings. Inspired by it, we propose a new graph learning paradigm -- Monte Carlo Graph Learning (MCGL). The core idea of MCGL contains: (1) Data augmentation: propagate the labels of the training set through the graph structure and expand the training set; (2) Model training: use the expanded training set to train traditional classifiers. We use synthetic datasets to compare the strengths of MCGL and graph convolutional operation on clean graphs. In addition, we show that MCGL's tolerance to graph structure noise is weaker than GCN on noisy graphs (four real-world datasets). Moreover, inspired by MCGL, we re-analyze the reasons why the performance of GCN becomes worse when deepened too much: rather than the mainstream view of over-smoothing, we argue that the main reason is the graph structure noise, and experimentally verify our view. The code is available at https://github.com/DongHande/MCGL.
In this paper, we propose an end-to-end graph learning framework, namely Iterative Deep Graph Learning (IDGL), for jointly and iteratively learning graph structure and graph embedding. The key rationale of IDGL is to learn a better graph structure based on better node embeddings, and vice versa (i.e., better node embeddings based on a better graph structure). Our iterative method dynamically stops when the learned graph structure approaches close enough to the graph optimized for the downstream prediction task. In addition, we cast the graph learning problem as a similarity metric learning problem and leverage adaptive graph regularization for controlling the quality of the learned graph. Finally, combining the anchor-based approximation technique, we further propose a scalable version of IDGL, namely IDGL-Anch, which significantly reduces the time and space complexity of IDGL without compromising the performance. Our extensive experiments on nine benchmarks show that our proposed IDGL models can consistently outperform or match the state-of-the-art baselines. Furthermore, IDGL can be more robust to adversarial graphs and cope with both transductive and inductive learning.
Domain shift is a fundamental problem in visual recognition which typically arises when the source and target data follow different distributions. The existing domain adaptation approaches which tackle this problem work in the closed-set setting with the assumption that the source and the target data share exactly the same classes of objects. In this paper, we tackle a more realistic problem of open-set domain shift where the target data contains additional classes that are not present in the source data. More specifically, we introduce an end-to-end Progressive Graph Learning (PGL) framework where a graph neural network with episodic training is integrated to suppress underlying conditional shift and adversarial learning is adopted to close the gap between the source and target distributions. Compared to the existing open-set adaptation approaches, our approach guarantees to achieve a tighter upper bound of the target error. Extensive experiments on three standard open-set benchmarks evidence that our approach significantly outperforms the state-of-the-arts in open-set domain adaptation.
We present Wasserstein Embedding for Graph Learning (WEGL), a novel and fast framework for embedding entire graphs in a vector space, in which various machine learning models are applicable for graph-level prediction tasks. We leverage new insights on defining similarity between graphs as a function of the similarity between their node embedding distributions. Specifically, we use the Wasserstein distance to measure the dissimilarity between node embeddings of different graphs. Unlike prior work, we avoid pairwise calculation of distances between graphs and reduce the computational complexity from quadratic to linear in the number of graphs. WEGL calculates Monge maps from a reference distribution to each node embedding and, based on these maps, creates a fixed-sized vector representation of the graph. We evaluate our new graph embedding approach on various benchmark graph-property prediction tasks, showing state-of-the-art classification performance while having superior computational efficiency. The code is available at https://github.com/navid-naderi/WEGL.
Graph representation learning has emerged as a powerful technique for addressing real-world problems. Various downstream graph learning tasks have benefited from its recent developments, such as node classification, similarity search, and graph classification. However, prior arts on graph representation learning focus on domain specific problems and train a dedicated model for each graph dataset, which is usually non-transferable to out-of-domain data. Inspired by the recent advances in pre-training from natural language processing and computer vision, we design Graph Contrastive Coding (GCC) -- a self-supervised graph neural network pre-training framework -- to capture the universal network topological properties across multiple networks. We design GCC's pre-training task as subgraph instance discrimination in and across networks and leverage contrastive learning to empower graph neural networks to learn the intrinsic and transferable structural representations. We conduct extensive experiments on three graph learning tasks and ten graph datasets. The results show that GCC pre-trained on a collection of diverse datasets can achieve competitive or better performance to its task-specific and trained-from-scratch counterparts. This suggests that the pre-training and fine-tuning paradigm presents great potential for graph representation learning.
Modeling multivariate time series has long been a subject that has attracted researchers from a diverse range of fields including economics, finance, and traffic. A basic assumption behind multivariate time series forecasting is that its variables depend on one another but, upon looking closely, it is fair to say that existing methods fail to fully exploit latent spatial dependencies between pairs of variables. In recent years, meanwhile, graph neural networks (GNNs) have shown high capability in handling relational dependencies. GNNs require well-defined graph structures for information propagation which means they cannot be applied directly for multivariate time series where the dependencies are not known in advance. In this paper, we propose a general graph neural network framework designed specifically for multivariate time series data. Our approach automatically extracts the uni-directed relations among variables through a graph learning module, into which external knowledge like variable attributes can be easily integrated. A novel mix-hop propagation layer and a dilated inception layer are further proposed to capture the spatial and temporal dependencies within the time series. The graph learning, graph convolution, and temporal convolution modules are jointly learned in an end-to-end framework. Experimental results show that our proposed model outperforms the state-of-the-art baseline methods on 3 of 4 benchmark datasets and achieves on-par performance with other approaches on two traffic datasets which provide extra structural information.
We study the problem of semi-supervised learning on graphs, for which graph neural networks (GNNs) have been extensively explored. However, most existing GNNs inherently suffer from the limitations of over-smoothing, non-robustness, and weak-generalization when labeled nodes are scarce. In this paper, we propose a simple yet effective framework -- GRAPH RANDOM NEURAL NETWORKS (GRAND) -- to address these issues. In GRAND, we first design a random propagation strategy to perform graph data augmentation. Then we leverage consistency regularization to optimize the prediction consistency of unlabeled nodes across different data augmentations. Extensive experiments on graph benchmark datasets suggest that GRAND significantly outperforms state-of-the-art GNN baselines on semi-supervised node classification. Finally, we show that GRAND mitigates the issues of over-smoothing and non-robustness, exhibiting better generalization behavior than existing GNNs. The source code of GRAND is publicly available at https://github.com/Grand20/grand.