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Deep neural networks have relieved a great deal of burden on human experts in relation to feature engineering. However, comparable efforts are instead required to determine effective architectures. In addition, as the sizes of networks have grown overly large, a considerable amount of resources is also invested in reducing the sizes. The sparsification of an over-complete model addresses these problems as it removes redundant components and connections. In this study, we propose a fully differentiable sparsification method for deep neural networks which allows parameters to be zero during training via stochastic gradient descent. Thus, the proposed method can learn the sparsified structure and weights of a network in an end-to-end manner. The method is directly applicable to various modern deep neural networks and imposes minimum modification to existing models. To the best of our knowledge, this is the first fully [sub-]differentiable sparsification method that zeroes out parameters. It provides a foundation for future structure learning and model compression methods.

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Deep graph neural networks (GNNs) have achieved excellent results on various tasks on increasingly large graph datasets with millions of nodes and edges. However, memory complexity has become a major obstacle when training deep GNNs for practical applications due to the immense number of nodes, edges, and intermediate activations. To improve the scalability of GNNs, prior works propose smart graph sampling or partitioning strategies to train GNNs with a smaller set of nodes or sub-graphs. In this work, we study reversible connections, group convolutions, weight tying, and equilibrium models to advance the memory and parameter efficiency of GNNs. We find that reversible connections in combination with deep network architectures enable the training of overparameterized GNNs that significantly outperform existing methods on multiple datasets. Our models RevGNN-Deep (1001 layers with 80 channels each) and RevGNN-Wide (448 layers with 224 channels each) were both trained on a single commodity GPU and achieve an ROC-AUC of $87.74 \pm 0.13$ and $88.14 \pm 0.15$ on the ogbn-proteins dataset. To the best of our knowledge, RevGNN-Deep is the deepest GNN in the literature by one order of magnitude. Please visit our project website //www.deepgcns.org/arch/gnn1000 for more information.

The growing energy and performance costs of deep learning have driven the community to reduce the size of neural networks by selectively pruning components. Similarly to their biological counterparts, sparse networks generalize just as well, if not better than, the original dense networks. Sparsity can reduce the memory footprint of regular networks to fit mobile devices, as well as shorten training time for ever growing networks. In this paper, we survey prior work on sparsity in deep learning and provide an extensive tutorial of sparsification for both inference and training. We describe approaches to remove and add elements of neural networks, different training strategies to achieve model sparsity, and mechanisms to exploit sparsity in practice. Our work distills ideas from more than 300 research papers and provides guidance to practitioners who wish to utilize sparsity today, as well as to researchers whose goal is to push the frontier forward. We include the necessary background on mathematical methods in sparsification, describe phenomena such as early structure adaptation, the intricate relations between sparsity and the training process, and show techniques for achieving acceleration on real hardware. We also define a metric of pruned parameter efficiency that could serve as a baseline for comparison of different sparse networks. We close by speculating on how sparsity can improve future workloads and outline major open problems in the field.

Graph Neural Networks (GNNs) have recently become increasingly popular due to their ability to learn complex systems of relations or interactions arising in a broad spectrum of problems ranging from biology and particle physics to social networks and recommendation systems. Despite the plethora of different models for deep learning on graphs, few approaches have been proposed thus far for dealing with graphs that present some sort of dynamic nature (e.g. evolving features or connectivity over time). In this paper, we present Temporal Graph Networks (TGNs), a generic, efficient framework for deep learning on dynamic graphs represented as sequences of timed events. Thanks to a novel combination of memory modules and graph-based operators, TGNs are able to significantly outperform previous approaches being at the same time more computationally efficient. We furthermore show that several previous models for learning on dynamic graphs can be cast as specific instances of our framework. We perform a detailed ablation study of different components of our framework and devise the best configuration that achieves state-of-the-art performance on several transductive and inductive prediction tasks for dynamic graphs.

Graph neural networks (GNN) has been successfully applied to operate on the graph-structured data. Given a specific scenario, rich human expertise and tremendous laborious trials are usually required to identify a suitable GNN architecture. It is because the performance of a GNN architecture is significantly affected by the choice of graph convolution components, such as aggregate function and hidden dimension. Neural architecture search (NAS) has shown its potential in discovering effective deep architectures for learning tasks in image and language modeling. However, existing NAS algorithms cannot be directly applied to the GNN search problem. First, the search space of GNN is different from the ones in existing NAS work. Second, the representation learning capacity of GNN architecture changes obviously with slight architecture modifications. It affects the search efficiency of traditional search methods. Third, widely used techniques in NAS such as parameter sharing might become unstable in GNN. To bridge the gap, we propose the automated graph neural networks (AGNN) framework, which aims to find an optimal GNN architecture within a predefined search space. A reinforcement learning based controller is designed to greedily validate architectures via small steps. AGNN has a novel parameter sharing strategy that enables homogeneous architectures to share parameters, based on a carefully-designed homogeneity definition. Experiments on real-world benchmark datasets demonstrate that the GNN architecture identified by AGNN achieves the best performance, comparing with existing handcrafted models and tradistional search methods.

Deep reinforcement learning (RL) has achieved many recent successes, yet experiment turn-around time remains a key bottleneck in research and in practice. We investigate how to optimize existing deep RL algorithms for modern computers, specifically for a combination of CPUs and GPUs. We confirm that both policy gradient and Q-value learning algorithms can be adapted to learn using many parallel simulator instances. We further find it possible to train using batch sizes considerably larger than are standard, without negatively affecting sample complexity or final performance. We leverage these facts to build a unified framework for parallelization that dramatically hastens experiments in both classes of algorithm. All neural network computations use GPUs, accelerating both data collection and training. Our results include using an entire DGX-1 to learn successful strategies in Atari games in mere minutes, using both synchronous and asynchronous algorithms.

Lots of learning tasks require dealing with graph data which contains rich relation information among elements. Modeling physics system, learning molecular fingerprints, predicting protein interface, and classifying diseases require that a model to learn from graph inputs. In other domains such as learning from non-structural data like texts and images, reasoning on extracted structures, like the dependency tree of sentences and the scene graph of images, is an important research topic which also needs graph reasoning models. Graph neural networks (GNNs) are connectionist models that capture the dependence of graphs via message passing between the nodes of graphs. Unlike standard neural networks, graph neural networks retain a state that can represent information from its neighborhood with an arbitrary depth. Although the primitive graph neural networks have been found difficult to train for a fixed point, recent advances in network architectures, optimization techniques, and parallel computation have enabled successful learning with them. In recent years, systems based on graph convolutional network (GCN) and gated graph neural network (GGNN) have demonstrated ground-breaking performance on many tasks mentioned above. In this survey, we provide a detailed review over existing graph neural network models, systematically categorize the applications, and propose four open problems for future research.

Deep learning has been shown successful in a number of domains, ranging from acoustics, images to natural language processing. However, applying deep learning to the ubiquitous graph data is non-trivial because of the unique characteristics of graphs. Recently, a significant amount of research efforts have been devoted to this area, greatly advancing graph analyzing techniques. In this survey, we comprehensively review different kinds of deep learning methods applied to graphs. We divide existing methods into three main categories: semi-supervised methods including Graph Neural Networks and Graph Convolutional Networks, unsupervised methods including Graph Autoencoders, and recent advancements including Graph Recurrent Neural Networks and Graph Reinforcement Learning. We then provide a comprehensive overview of these methods in a systematic manner following their history of developments. We also analyze the differences of these methods and how to composite different architectures. Finally, we briefly outline their applications and discuss potential future directions.

We study the problem of training deep neural networks with Rectified Linear Unit (ReLU) activiation function using gradient descent and stochastic gradient descent. In particular, we study the binary classification problem and show that for a broad family of loss functions, with proper random weight initialization, both gradient descent and stochastic gradient descent can find the global minima of the training loss for an over-parameterized deep ReLU network, under mild assumption on the training data. The key idea of our proof is that Gaussian random initialization followed by (stochastic) gradient descent produces a sequence of iterates that stay inside a small perturbation region centering around the initial weights, in which the empirical loss function of deep ReLU networks enjoys nice local curvature properties that ensure the global convergence of (stochastic) gradient descent. Our theoretical results shed light on understanding the optimization of deep learning, and pave the way to study the optimization dynamics of training modern deep neural networks.

This paper tackles a new problem setting: reinforcement learning with pixel-wise rewards (pixelRL) for image processing. After the introduction of the deep Q-network, deep RL has been achieving great success. However, the applications of deep RL for image processing are still limited. Therefore, we extend deep RL to pixelRL for various image processing applications. In pixelRL, each pixel has an agent, and the agent changes the pixel value by taking an action. We also propose an effective learning method for pixelRL that significantly improves the performance by considering not only the future states of the own pixel but also those of the neighbor pixels. The proposed method can be applied to some image processing tasks that require pixel-wise manipulations, where deep RL has never been applied. We apply the proposed method to three image processing tasks: image denoising, image restoration, and local color enhancement. Our experimental results demonstrate that the proposed method achieves comparable or better performance, compared with the state-of-the-art methods based on supervised learning.

Recurrent neural networks (RNNs) provide state-of-the-art performance in processing sequential data but are memory intensive to train, limiting the flexibility of RNN models which can be trained. Reversible RNNs---RNNs for which the hidden-to-hidden transition can be reversed---offer a path to reduce the memory requirements of training, as hidden states need not be stored and instead can be recomputed during backpropagation. We first show that perfectly reversible RNNs, which require no storage of the hidden activations, are fundamentally limited because they cannot forget information from their hidden state. We then provide a scheme for storing a small number of bits in order to allow perfect reversal with forgetting. Our method achieves comparable performance to traditional models while reducing the activation memory cost by a factor of 10--15. We extend our technique to attention-based sequence-to-sequence models, where it maintains performance while reducing activation memory cost by a factor of 5--10 in the encoder, and a factor of 10--15 in the decoder.

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