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Register a new userOptimization of Graph Neural Networks: Implicit Acceleration by Skip Connections and More Depth
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Added by
Keyulu Xu
Publication date
2021
fields
Informatics Engineering
and research's language is
English
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Graph Neural Networks (GNNs) have been studied through the lens of expressive power and generalization. However, their optimization properties are less well understood. We take the first step towards analyzing GNN training by studying the gradient dynamics of GNNs. First, we analyze linearized GNNs and prove that despite the non-convexity of training, convergence to a global minimum at a linear rate is guaranteed under mild assumptions that we validate on real-world graphs. Second, we study what may affect the GNNs training speed. Our results show that the training of GNNs is implicitly accelerated by skip connections, more depth, and/or a good label distribution. Empirical results confirm that our theoretical results for linearized GNNs align with the training behavior of nonlinear GNNs. Our results provide the first theoretical support for the success of GNNs with skip connections in terms of optimization, and suggest that deep GNNs with skip connections would be promising in practice.
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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.
Overfitting is one of the most critical challenges in deep neural networks, and there are various types of regularization methods to improve generalization performance. Injecting noises to hidden units during training, e.g., dropout, is known as a successful regularizer, but it is still not clear enough why such training techniques work well in practice and how we can maximize their benefit in the presence of two conflicting objectives---optimizing to true data distribution and preventing overfitting by regularization. This paper addresses the above issues by 1) interpreting that the conventional training methods with regularization by noise injection optimize the lower bound of the true objective and 2) proposing a technique to achieve a tighter lower bound using multiple noise samples per training example in a stochastic gradient descent iteration. We demonstrate the effectiveness of our idea in several computer vision applications.
Neural networks are often represented as graphs of connections between neurons. However, despite their wide use, there is currently little understanding of the relationship between the graph structure of the neural network and its predictive performance. Here we systematically investigate how does the graph structure of neural networks affect their predictive performance. To this end, we develop a novel graph-based representation of neural networks called relational graph, where layers of neural network computation correspond to rounds of message exchange along the graph structure. Using this representation we show that: (1) a sweet spot of relational graphs leads to neural networks with significantly improved predictive performance; (2) neural networks performance is approximately a smooth function of the clustering coefficient and average path length of its relational graph; (3) our findings are consistent across many different tasks and datasets; (4) the sweet spot can be identified efficiently; (5) top-performing neural networks have graph structure surprisingly similar to those of real biological neural networks. Our work opens new directions for the design of neural architectures and the understanding on neural networks in general.
We show implicit filter level sparsity manifests in convolutional neural networks (CNNs) which employ Batch Normalization and ReLU activation, and are trained with adaptive gradient descent techniques and L2 regularization or weight decay. Through an extensive empirical study (Mehta et al., 2019) we hypothesize the mechanism behind the sparsification process, and find surprising links to certain filter sparsification heuristics proposed in literature. Emergence of, and the subsequent pruning of selective features is observed to be one of the contributing mechanisms, leading to feature sparsity at par or better than certain explicit sparsification / pruning approaches. In this workshop article we summarize our findings, and point out corollaries of selective-featurepenalization which could also be employed as heuristics for filter pruning
We introduce a principled approach for synthesizing new views of a scene given a single source image. Previous methods for novel view synthesis can be divided into image-based rendering methods (e.g. flow prediction) or pixel generation methods. Flow predictions enable the target view to re-use pixels directly, but can easily lead to distorted results. Directly regressing pixels can produce structurally consistent results but generally suffer from the lack of low-level details. In this paper, we utilize an encoder-decoder architecture to regress pixels of a target view. In order to maintain details, we couple the decoder aligned feature maps with skip connections, where the alignment is guided by predicted depth map of the target view. Our experimental results show that our method does not suffer from distortions and successfully preserves texture details with aligned skip connections.
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