相关论文: Improving Molecular Graph Neural Network Explainab…
Due to the nature of deep learning approaches, it is inherently difficult to understand which aspects of a molecular graph drive the predictions of the network. As a mitigation strategy, we constrain certain weights in a multi-task graph…
We present the SCR framework for enhancing the training of graph neural networks (GNNs) with consistency regularization. Regularization is a set of strategies used in Machine Learning to reduce overfitting and improve the generalization…
Graph Neural Networks (GNNs) are currently dominating in modeling graph-structure data, while their high reliance on graph structure for inference significantly impedes them from widespread applications. By contrast, Graph-regularized MLPs…
Graph convolutional neural networks (GCNNs) have received much attention recently, owing to their capability in handling graph-structured data. Among the existing GCNNs, many methods can be viewed as instances of a neural message passing…
Various normalization layers have been proposed to help the training of neural networks. Group Normalization (GN) is one of the effective and attractive studies that achieved significant performances in the visual recognition task. Despite…
In the past few years, graph neural networks (GNNs) have become the de facto model of choice for graph classification. While, from the theoretical viewpoint, most GNNs can operate on graphs of any size, it is empirically observed that their…
Graph Neural Networks (GNNs) have attracted considerable attention and have emerged as a new promising paradigm to process graph-structured data. GNNs are usually stacked to multiple layers and the node representations in each layer are…
Batch Normalization (BN) improves both convergence and generalization in training neural networks. This work understands these phenomena theoretically. We analyze BN by using a basic block of neural networks, consisting of a kernel layer, a…
Despite impressive performance on numerous visual tasks, Convolutional Neural Networks (CNNs) --- unlike brains --- are often highly sensitive to small perturbations of their input, e.g. adversarial noise leading to erroneous decisions. We…
Regularization is commonly used for alleviating overfitting in machine learning. For convolutional neural networks (CNNs), regularization methods, such as DropBlock and Shake-Shake, have illustrated the improvement in the generalization…
Graph Neural Networks (GNNs), developed by the graph learning community, have been adopted and shown to be highly effective in multi-robot and multi-agent learning. Inspired by this successful cross-pollination, we investigate and…
Mini-batch training of Graph Neural Networks (GNNs) is fundamentally different from training on i.i.d. data: sampling a subgraph alters the topology and introduces boundary effects, leading prior work to develop structure-aware samplers…
In this paper we show that simple noise regularisation can be an effective way to address GNN oversmoothing. First we argue that regularisers addressing oversmoothing should both penalise node latent similarity and encourage meaningful node…
Graph neural networks (GNNs) have emerged as a fundamental tool for learning from graph-structured data, achieving strong performance across a wide range of applications. However, understanding their generalization capabilities remains…
Graph Neural Networks (GNNs) have achieved tremendous success in graph representation learning. Unfortunately, current GNNs usually rely on loading the entire attributed graph into network for processing. This implicit assumption may not be…
Graph neural networks (GNNs) have been used extensively for addressing problems in drug design and discovery. Both ligand and target molecules are represented as graphs with node and edge features encoding information about atomic elements…
We propose Attentive Regularization (AR), a method to constrain the activation maps of kernels in Convolutional Neural Networks (CNNs) to specific regions of interest (ROIs). Each kernel learns a location of specialization along with its…
Several image processing tasks, such as image classification and object detection, have been significantly improved using Convolutional Neural Networks (CNN). Like ResNet and EfficientNet, many architectures have achieved outstanding…
Scalability of graph neural networks remains one of the major challenges in graph machine learning. Since the representation of a node is computed by recursively aggregating and transforming representation vectors of its neighboring nodes…
A common technique for ameliorating the computational costs of running large neural models is sparsification, or the pruning of neural connections during training. Sparse models are capable of maintaining the high accuracy of state of the…