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Deep neural networks have achieved great success both in computer vision and natural language processing tasks. However, mostly state-of-art methods highly rely on external training or computing to improve the performance. To alleviate the…

Graph Neural Networks (GNNs) have achieved remarkable success across diverse tasks on graph-structured data, primarily through the use of learned weights in message passing layers. In this paper, we demonstrate that random weights can be…

Graph neural networks (GNNs) have achieved tremendous success on multiple graph-based learning tasks by fusing network structure and node features. Modern GNN models are built upon iterative aggregation of neighbor's/proximity features by…

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…

Graph neural network interatomic potentials (GNN-IPs) are gaining significant attention due to their capability of learning from large datasets. Specifically, universal interatomic potentials based on GNN, usually trained with crystalline…

We define a novel type of ensemble Graph Convolutional Network (GCN) model. Using optimized linear projection operators to map between spatial scales of graph, this ensemble model learns to aggregate information from each scale for its…

Graph neural networks (GNN) represent an emerging line of deep learning models that operate on graph structures. It is becoming more and more popular due to its high accuracy achieved in many graph-related tasks. However, GNN is not as well…

The era of data deluge has sparked the interest in graph-based learning methods in a number of disciplines such as sociology, biology, neuroscience, or engineering. In this paper, we introduce a graph recurrent neural network (GRNN) for…

Many practical graph problems, such as knowledge graph construction and drug-drug interaction prediction, require to handle multi-relational graphs. However, handling real-world multi-relational graphs with Graph Neural Networks (GNNs) is…

Markov Logic Networks (MLNs), which elegantly combine logic rules and probabilistic graphical models, can be used to address many knowledge graph problems. However, inference in MLN is computationally intensive, making the industrial-scale…

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…

Graph Neural Nets (GNNs) have received increasing attentions, partially due to their superior performance in many node and graph classification tasks. However, there is a lack of understanding on what they are learning and how sophisticated…

An important characteristic of neural networks is their ability to learn representations of the input data with effective features for prediction, which is believed to be a key factor to their superior empirical performance. To better…

Many applications of machine learning require a model to make accurate pre-dictions on test examples that are distributionally different from training ones, while task-specific labels are scarce during training. An effective approach to…

Self-supervised learning is currently gaining a lot of attention, as it allows neural networks to learn robust representations from large quantities of unlabeled data. Additionally, multi-task learning can further improve representation…

We propose a theoretical framework for training Graph Neural Networks (GNNs) on large input graphs via training on small, fixed-size sampled subgraphs. This framework is applicable to a wide range of models, including popular sampling-based…

Graph Neural Networks (GNNs) are powerful tools for addressing learning problems on graph structures, with a wide range of applications in molecular biology and social networks. However, the theoretical foundations underlying their…

Recently Graph Neural Network (GNN) has been applied successfully to various NLP tasks that require reasoning, such as multi-hop machine reading comprehension. In this paper, we consider a novel case where reasoning is needed over graphs…

In this work, we propose to train a deep neural network by distributed optimization over a graph. Two nonlinear functions are considered: the rectified linear unit (ReLU) and a linear unit with both lower and upper cutoffs (DCutLU). The…

Graph Neural Networks (GNNs) have been widely applied to various fields due to their powerful representations of graph-structured data. Despite the success of GNNs, most existing GNNs are designed to learn node representations on the fixed…