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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…

机器学习 · 计算机科学 2022-02-15 Hyunseung Kim , Jonggeol Na , Won Bo Lee

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…

机器学习 · 计算机科学 2020-10-13 Song Bai , Feihu Zhang , Philip H. S. Torr

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…

机器学习 · 计算机科学 2021-12-14 Tiantian He , Yew-Soon Ong , Lu Bai

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…

机器学习 · 计算机科学 2025-07-08 Eugenio Borzone , Leandro Di Persia , Matias Gerard

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…

计算机视觉与模式识别 · 计算机科学 2025-09-09 Zahid Ullah , Minki Hong , Tahir Mahmood , Jihie Kim

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…

计算机视觉与模式识别 · 计算机科学 2024-04-17 Luiz Schirmer , Guilherme Schardong , Vinícius da Silva , Rogério Santos , Hélio Lopes

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…

机器学习 · 计算机科学 2019-12-02 Xueya Zhang , Tong Zhang , Wenting Zhao , Zhen Cui , Jian Yang

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…

机器学习 · 计算机科学 2020-03-25 Rui Li , Zach Shahn , Jun Li , Mingyu Lu , Prithwish Chakraborty , Daby Sow , Mohamed Ghalwash , Li-wei H. Lehman

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…

计算机视觉与模式识别 · 计算机科学 2018-08-08 Paul Hongsuck Seo , Zhe Lin , Scott Cohen , Xiaohui Shen , Bohyung Han

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…

机器学习 · 计算机科学 2021-07-06 Hung Le

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…

机器学习 · 计算机科学 2022-07-11 Venus Haghighi , Behnaz Soltani , Adnan Mahmood , Quan Z. Sheng , Jian Yang

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…

机器学习 · 统计学 2022-03-03 Chao Shang , Qinqing Liu , Ko-Shin Chen , Jiangwen Sun , Jin Lu , Jinfeng Yi , Jinbo Bi

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…

机器学习 · 计算机科学 2025-07-16 Esmail Gumaan

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…

计算机视觉与模式识别 · 计算机科学 2015-04-14 Pierre Sermanet , Andrea Frome , Esteban Real

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…

社会与信息网络 · 计算机科学 2020-07-07 Di Jin , Zhizhi Yu , Dongxiao He , Carl Yang , Philip S. Yu , Jiawei Han

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…

机器学习 · 计算机科学 2018-10-09 Seongok Ryu , Jaechang Lim , Seung Hwan Hong , Woo Youn Kim

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…

机器学习 · 计算机科学 2023-08-02 Yihe Dong , Jean-Baptiste Cordonnier , Andreas Loukas

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…

计算机视觉与模式识别 · 计算机科学 2021-10-26 Asish Bera , Zachary Wharton , Yonghuai Liu , Nik Bessis , Ardhendu Behera