In this paper, we propose an end-to-end graph learning framework, namely Deep Iterative and Adaptive Learning for Graph Neural Networks (DIAL-GNN), for jointly learning the graph structure and graph embeddings simultaneously. We first cast the graph structure learning problem as a similarity metric learning problem and leverage an adapted graph regularization for controlling smoothness, connectivity and sparsity of the generated graph. We further propose a novel iterative method for searching for a hidden graph structure that augments the initial graph structure. Our iterative method dynamically stops when the learned graph structure approaches close enough to the optimal graph. Our extensive experiments demonstrate that the proposed DIAL-GNN model can consistently outperform or match state-of-the-art baselines in terms of both downstream task performance and computational time. The proposed approach can cope with both transductive learning and inductive learning.
From social networks to protein complexes to disease genomes to visual data, hypergraphs are everywhere. However, the scope of research studying deep learning on hypergraphs is still quite sparse and nascent, as there has not yet existed an effective, unified framework for using hyperedge and vertex embeddings jointly in the hypergraph context, despite a large body of prior work that has shown the utility of deep learning over graphs and sets. Building upon these recent advances, we propose \textit{Deep Hyperedges} (DHE), a modular framework that jointly uses contextual and permutation-invariant vertex membership properties of hyperedges in hypergraphs to perform classification and regression in transductive and inductive learning settings. In our experiments, we use a novel random walk procedure and show that our model achieves and, in most cases, surpasses state-of-the-art performance on benchmark datasets. Additionally, we study our framework's performance on a variety of diverse, non-standard hypergraph datasets and propose several avenues of future work to further enhance DHE.
The capability of making interpretable and self-explanatory decisions is essential for developing responsible machine learning systems. In this work, we study the learning to explain problem in the scope of inductive logic programming (ILP). We propose Neural Logic Inductive Learning (NLIL), an efficient differentiable ILP framework that learns first-order logic rules that can explain the patterns in the data. In experiments, compared with the state-of-the-art methods, we find NLIL can search for rules that are x10 times longer while remaining x3 times faster. We also show that NLIL can scale to large image datasets, i.e. Visual Genome, with 1M entities.
Point cloud processing is very challenging, as the diverse shapes formed by irregular points are often indistinguishable. A thorough grasp of the elusive shape requires sufficiently contextual semantic information, yet few works devote to this. Here we propose DensePoint, a general architecture to learn densely contextual representation for point cloud processing. Technically, it extends regular grid CNN to irregular point configuration by generalizing a convolution operator, which holds the permutation invariance of points, and achieves efficient inductive learning of local patterns. Architecturally, it finds inspiration from dense connection mode, to repeatedly aggregate multi-level and multi-scale semantics in a deep hierarchy. As a result, densely contextual information along with rich semantics, can be acquired by DensePoint in an organic manner, making it highly effective. Extensive experiments on challenging benchmarks across four tasks, as well as thorough model analysis, verify DensePoint achieves the state of the arts.
Graph Convolutional Networks (GCNs) are powerful models for learning representations of attributed graphs. To scale GCNs to large graphs, state-of-the-art methods use various layer sampling techniques to alleviate the "neighbor explosion" problem during minibatch training. We propose GraphSAINT, a graph sampling based inductive learning method that improves training efficiency and accuracy in a fundamentally different way. By changing perspective, GraphSAINT constructs minibatches by sampling the training graph, rather than the nodes or edges across GCN layers. Each iteration, a complete GCN is built from the properly sampled subgraph. Thus, we ensure fixed number of well-connected nodes in all layers. We further propose normalization technique to eliminate bias, and sampling algorithms for variance reduction. Importantly, we can decouple the sampling from the forward and backward propagation, and extend GraphSAINT with many architecture variants (e.g., graph attention, jumping connection). GraphSAINT demonstrates superior performance in both accuracy and training time on five large graphs, and achieves new state-of-the-art F1 scores for PPI (0.995) and Reddit (0.970).
In recent years, impressive progress has been made in the design of implicit probabilistic models via Generative Adversarial Networks (GAN) and its extension, the Conditional GAN (CGAN). Excellent solutions have been demonstrated mostly in image processing applications which involve large, continuous output spaces. There is almost no application of these powerful tools to problems having small dimensional output spaces. Regression problems involving the inductive learning of a map, $y=f(x,z)$, $z$ denoting noise, $f:\mathbb{R}^n\times \mathbb{R}^k \rightarrow \mathbb{R}^m$, with $m$ small (e.g., $m=1$ or just a few) is one good case in point. The standard approach to solve regression problems is to probabilistically model the output $y$ as the sum of a mean function $m(x)$ and a noise term $z$; it is also usual to take the noise to be a Gaussian. These are done for convenience sake so that the likelihood of observed data is expressible in closed form. In the real world, on the other hand, stochasticity of the output is usually caused by missing or noisy input variables. Such a real world situation is best represented using an implicit model in which an extra noise vector, $z$ is included with $x$ as input. CGAN is naturally suited to design such implicit models. This paper makes the first step in this direction and compares the existing regression methods with CGAN. We notice however, that the existing methods like mixture density networks (MDN) and XGBoost do quite well compared to CGAN in terms of likelihood and mean absolute error, respectively. Both these methods are comparatively easier to train than CGANs. CGANs need more innovation to have a comparable modeling and ease-of-training with respect to the existing regression solvers. In summary, for modeling uncertainty MDNs are better while XGBoost is better for the cases where accurate prediction is more important.
Network embedding (or graph embedding) has been widely used in many real-world applications. However, existing methods mainly focus on networks with single-typed nodes/edges and cannot scale well to handle large networks. Many real-world networks consist of billions of nodes and edges of multiple types, and each node is associated with different attributes. In this paper, we formalize the problem of embedding learning for the Attributed Multiplex Heterogeneous Network and propose a unified framework to address this problem. The framework supports both transductive and inductive learning. We also give the theoretical analysis of the proposed framework, showing its connection with previous works and proving its better expressiveness. We conduct systematical evaluations for the proposed framework on four different genres of challenging datasets: Amazon, YouTube, Twitter, and Alibaba. Experimental results demonstrate that with the learned embeddings from the proposed framework, we can achieve statistically significant improvements (e.g., 5.99-28.23% lift by F1 scores; p<<0.01, t-test) over previous state-of-the-art methods for link prediction. The framework has also been successfully deployed on the recommendation system of a worldwide leading e-commerce company, Alibaba Group. Results of the offline A/B tests on product recommendation further confirm the effectiveness and efficiency of the framework in practice.
Graph Neural Networks (GNNs) have been popularly used for analyzing non-Euclidean data such as social network data and biological data. Despite their success, the design of graph neural networks requires a lot of manual work and domain knowledge. In this paper, we propose a Graph Neural Architecture Search method (GraphNAS for short) that enables automatic search of the best graph neural architecture based on reinforcement learning. Specifically, GraphNAS first uses a recurrent network to generate variable-length strings that describe the architectures of graph neural networks, and then trains the recurrent network with reinforcement learning to maximize the expected accuracy of the generated architectures on a validation data set. Extensive experimental results on node classification tasks in both transductive and inductive learning settings demonstrate that GraphNAS can achieve consistently better performance on the Cora, Citeseer, Pubmed citation network, and protein-protein interaction network. On node classification tasks, GraphNAS can design a novel network architecture that rivals the best human-invented architecture in terms of test set accuracy.
Recurrent Neural Networks (RNNs) are theoretically Turing-complete and established themselves as a dominant model for language processing. Yet, there still remains an uncertainty regarding their language learning capabilities. In this paper, we empirically evaluate the inductive learning capabilities of Long Short-Term Memory networks, a popular extension of simple RNNs, to learn simple formal languages, in particular $a^nb^n$, $a^nb^nc^n$, and $a^nb^nc^nd^n$. We investigate the influence of various aspects of learning, such as training data regimes and model capacity, on the generalization to unobserved samples. We find striking differences in model performances under different training settings and highlight the need for careful analysis and assessment when making claims about the learning capabilities of neural network models.
We present Deep Graph Infomax (DGI), a general approach for learning node representations within graph-structured data in an unsupervised manner. DGI relies on maximizing mutual information between patch representations and corresponding high-level summaries of graphs---both derived using established graph convolutional network architectures. The learnt patch representations summarize subgraphs centered around nodes of interest, and can thus be reused for downstream node-wise learning tasks. In contrast to most prior approaches to unsupervised learning with GCNs, DGI does not rely on random walk objectives, and is readily applicable to both transductive and inductive learning setups. We demonstrate competitive performance on a variety of node classification benchmarks, which at times even exceeds the performance of supervised learning.
Convolutional neural networks (CNNs) have achieved great success on grid-like data such as images, but face tremendous challenges in learning from more generic data such as graphs. In CNNs, the trainable local filters enable the automatic extraction of high-level features. The computation with filters requires a fixed number of ordered units in the receptive fields. However, the number of neighboring units is neither fixed nor are they ordered in generic graphs, thereby hindering the applications of convolutional operations. Here, we address these challenges by proposing the learnable graph convolutional layer (LGCL). LGCL automatically selects a fixed number of neighboring nodes for each feature based on value ranking in order to transform graph data into grid-like structures in 1-D format, thereby enabling the use of regular convolutional operations on generic graphs. To enable model training on large-scale graphs, we propose a sub-graph training method to reduce the excessive memory and computational resource requirements suffered by prior methods on graph convolutions. Our experimental results on node classification tasks in both transductive and inductive learning settings demonstrate that our methods can achieve consistently better performance on the Cora, Citeseer, Pubmed citation network, and protein-protein interaction network datasets. Our results also indicate that the proposed methods using sub-graph training strategy are more efficient as compared to prior approaches.