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Register a new userDirichlet Energy Constrained Learning for Deep Graph Neural Networks
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Added by
Kaixiong Zhou
Publication date
2021
fields
Informatics Engineering
and research's language is
English
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Graph neural networks (GNNs) integrate deep architectures and topological structure modeling in an effective way. However, the performance of existing GNNs would decrease significantly when they stack many layers, because of the over-smoothing issue. Node embeddings tend to converge to similar vectors when GNNs keep recursively aggregating the representations of neighbors. To enable deep GNNs, several methods have been explored recently. But they are developed from either techniques in convolutional neural networks or heuristic strategies. There is no generalizable and theoretical principle to guide the design of deep GNNs. To this end, we analyze the bottleneck of deep GNNs by leveraging the Dirichlet energy of node embeddings, and propose a generalizable principle to guide the training of deep GNNs. Based on it, a novel deep GNN framework -- EGNN is designed. It could provide lower and upper constraints in terms of Dirichlet energy at each layer to avoid over-smoothing. Experimental results demonstrate that EGNN achieves state-of-the-art performance by using deep layers.
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Todays deep learning models are primarily trained on CPUs and GPUs. Although these models tend to have low error, they consume high power and utilize large amount of memory owing to double precision floating point learning parameters. Beyond the Moores law, a significant portion of deep learning tasks would run on edge computing systems, which will form an indispensable part of the entire computation fabric. Subsequently, training deep learning models for such systems will have to be tailored and adopted to generate models that have the following desirable characteristics: low error, low memory, and low power. We believe that deep neural networks (DNNs), where learning parameters are constrained to have a set of finite discrete values, running on neuromorphic computing systems would be instrumental for intelligent edge computing systems having these desirable characteristics. To this extent, we propose the Combinatorial Neural Network Training Algorithm (CoNNTrA), that leverages a coordinate gradient descent-based approach for training deep learning models with finite discrete learning parameters. Next, we elaborate on the theoretical underpinnings and evaluate the computational complexity of CoNNTrA. As a proof of concept, we use CoNNTrA to train deep learning models with ternary learning parameters on the MNIST, Iris and ImageNet data sets and compare their performance to the same models trained using Backpropagation. We use following performance metrics for the comparison: (i) Training error; (ii) Validation error; (iii) Memory usage; and (iv) Training time. Our results indicate that CoNNTrA models use 32x less memory and have errors at par with the Backpropagation models.
Graph Neural Networks (GNNs) have already been widely applied in various graph mining tasks. However, they suffer from the shallow architecture issue, which is the key impediment that hinders the model performance improvement. Although several relevant approaches have been proposed, none of the existing studies provides an in-depth understanding of the root causes of performance degradation in deep GNNs. In this paper, we conduct the first systematic experimental evaluation to present the fundamental limitations of shallow architectures. Based on the experimental results, we answer the following two essential questions: (1) what actually leads to the compromised performance of deep GNNs; (2) when we need and how to build deep GNNs. The answers to the above questions provide empirical insights and guidelines for researchers to design deep and well-performed GNNs. To show the effectiveness of our proposed guidelines, we present Deep Graph Multi-Layer Perceptron (DGMLP), a powerful approach (a paradigm in its own right) that helps guide deep GNN designs. Experimental results demonstrate three advantages of DGMLP: 1) high accuracy -- it achieves state-of-the-art node classification performance on various datasets; 2) high flexibility -- it can flexibly choose different propagation and transformation depths according to graph size and sparsity; 3) high scalability and efficiency -- it supports fast training on large-scale graphs. Our code is available in https://github.com/zwt233/DGMLP.
Graph neural networks (GNNs) are a popular class of machine learning models whose major advantage is their ability to incorporate a sparse and discrete dependency structure between data points. Unfortunately, GNNs can only be used when such a graph-structure is available. In practice, however, real-world graphs are often noisy and incomplete or might not be available at all. With this work, we propose to jointly learn the graph structure and the parameters of graph convolutional networks (GCNs) by approximately solving a bilevel program that learns a discrete probability distribution on the edges of the graph. This allows one to apply GCNs not only in scenarios where the given graph is incomplete or corrupted but also in those where a graph is not available. We conduct a series of experiments that analyze the behavior of the proposed method and demonstrate that it outperforms related methods by a significant margin.
While the celebrated graph neural networks yield effective representations for individual nodes of a graph, there has been relatively less success in extending to the task of graph similarity learning. Recent work on graph similarity learning has considered either global-level graph-graph interactions or low-level node-node interactions, however ignoring the rich cross-level interactions (e.g., between each node of one graph and the other whole graph). In this paper, we propose a multi-level graph matching network (MGMN) framework for computing the graph similarity between any pair of graph-structured objects in an end-to-end fashion. In particular, the proposed MGMN consists of a node-graph matching network for effectively learning cross-level interactions between each node of one graph and the other whole graph, and a siamese graph neural network to learn global-level interactions between two input graphs. Furthermore, to compensate for the lack of standard benchmark datasets, we have created and collected a set of datasets for both the graph-graph classification and graph-graph regression tasks with different sizes in order to evaluate the effectiveness and robustness of our models. Comprehensive experiments demonstrate that MGMN consistently outperforms state-of-the-art baseline models on both the graph-graph classification and graph-graph regression tasks. Compared with previous work, MGMN also exhibits stronger robustness as the sizes of the two input graphs increase.
In this paper, we focus on the unsupervised setting for structure learning of deep neural networks and propose to adopt the efficient coding principle, rooted in information theory and developed in computational neuroscience, to guide the procedure of structure learning without label information. This principle suggests that a good network structure should maximize the mutual information between inputs and outputs, or equivalently maximize the entropy of outputs under mild assumptions. We further establish connections between this principle and the theory of Bayesian optimal classification, and empirically verify that larger entropy of the outputs of a deep neural network indeed corresponds to a better classification accuracy. Then as an implementation of the principle, we show that sparse coding can effectively maximize the entropy of the output signals, and accordingly design an algorithm based on global group sparse coding to automatically learn the inter-layer connection and determine the depth of a neural network. Our experiments on a public image classification dataset demonstrate that using the structure learned from scratch by our proposed algorithm, one can achieve a classification accuracy comparable to the best expert-designed structure (i.e., convolutional neural networks (CNN)). In addition, our proposed algorithm successfully discovers the local connectivity (corresponding to local receptive fields in CNN) and invariance structure (corresponding to pulling in CNN), as well as achieves a good tradeoff between marginal performance gain and network depth.
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