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Discovering new materials better suited to specific purposes is an important issue in improving the quality of human life. Here, a neural network that creates molecules that meet some desired conditions based on a deep understanding of…
Recently, graph neural networks have attracted great attention and achieved prominent performance in various research fields. Most of those algorithms have assumed pairwise relationships of objects of interest. However, in many real…
In this paper, we present Conjoint Attentions (CAs), a class of novel learning-to-attend strategies for graph neural networks (GNNs). Besides considering the layer-wise node features propagated within the GNN, CAs can additionally…
This paper presents a novel graph-based deep learning model for tasks involving relations between two nodes (edge-centric tasks), where the focus lies on predicting relationships and interactions between pairs of nodes rather than node…
Deep learning has become a powerful tool for medical image analysis; however, conventional Convolutional Neural Networks (CNNs) often fail to capture the fine-grained and complex features critical for accurate diagnosis. To address this…
Earth structural heterogeneities have a remarkable role in the petroleum economy for both exploration and production projects. Automatic detection of detailed structural heterogeneities is challenging when considering modern machine…
Graph convolutional networks (GCNs) have shown the powerful ability in text structure representation and effectively facilitate the task of text classification. However, challenges still exist in adapting GCN on learning discriminative…
Counterfactual prediction is a fundamental task in decision-making. G-computation is a method for estimating expected counterfactual outcomes under dynamic time-varying treatment strategies. Existing G-computation implementations have…
Quantum convolutional neural networks (QCNNs) have gathered attention as one of the most promising algorithms for quantum machine learning. Reduction in the cost of training as well as improvement in performance is required for practical…
We present graph attention networks (GATs), novel neural network architectures that operate on graph-structured data, leveraging masked self-attentional layers to address the shortcomings of prior methods based on graph convolutions or…
We propose a novel attention model that can accurately attends to target objects of various scales and shapes in images. The model is trained to gradually suppress irrelevant regions in an input image via a progressive attentive process…
Intelligence necessitates memory. Without memory, humans fail to perform various nontrivial tasks such as reading novels, playing games or solving maths. As the ultimate goal of machine learning is to derive intelligent systems that learn…
Anomaly detection in attributed networks has received a considerable attention in recent years due to its applications in a wide range of domains such as finance, network security, and medicine. Traditional approaches cannot be adopted on…
Graph convolutional network (GCN) is generalization of convolutional neural network (CNN) to work with arbitrarily structured graphs. A binary adjacency matrix is commonly used in training a GCN. Recently, the attention mechanism allows the…
Deep learning employs multi-layer neural networks trained via the backpropagation algorithm. This approach has achieved success across many domains and relies on adaptive gradient methods such as the Adam optimizer. Sequence modeling…
This paper presents experiments extending the work of Ba et al. (2014) on recurrent neural models for attention into less constrained visual environments, specifically fine-grained categorization on the Stanford Dogs data set. In this work…
Heterogeneous information network (HIN) embedding, aiming to map the structure and semantic information in a HIN to distributed representations, has drawn considerable research attention. Graph neural networks for HIN embeddings typically…
Molecular structure-property relationships are key to molecular engineering for materials and drug discovery. The rise of deep learning offers a new viable solution to elucidate the structure-property relationships directly from chemical…
Attention-based architectures have become ubiquitous in machine learning, yet our understanding of the reasons for their effectiveness remains limited. This work proposes a new way to understand self-attention networks: we show that their…
This paper presents a novel keypoints-based attention mechanism for visual recognition in still images. Deep Convolutional Neural Networks (CNNs) for recognizing images with distinctive classes have shown great success, but their…