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Graph Neural Networks (GNNs) have gained considerable traction for their capability to effectively process topological data, yet their interpretability remains a critical concern. Current interpretation methods are dominated by post-hoc…

机器学习 · 计算机科学 2024-02-08 Jiahua Rao , Jiancong Xie , Hanjing Lin , Shuangjia Zheng , Zhen Wang , Yuedong Yang

Weather Forecasting is an attractive challengeable task due to its influence on human life and complexity in atmospheric motion. Supported by massive historical observed time series data, the task is suitable for data-driven approaches,…

机器学习 · 计算机科学 2022-09-20 Minbo Ma , Peng Xie , Fei Teng , Tianrui Li , Bin Wang , Shenggong Ji , Junbo Zhang

Graph Neural Networks (GNNs) have emerged as promising solutions for collaborative filtering (CF) through the modeling of user-item interaction graphs. The nucleus of existing GNN-based recommender systems involves recursive message passing…

机器学习 · 计算机科学 2024-05-21 Peiyan Zhang , Yuchen Yan , Xi Zhang , Chaozhuo Li , Senzhang Wang , Feiran Huang , Sunghun Kim

Graph neural networks are attractive for learning properties of atomic structures thanks to their intuitive graph encoding of atoms and bonds. However, conventional encoding does not include angular information, which is critical for…

Graph neural networks (GNN) are powerful models for many graph-structured tasks. Existing models often assume that the complete structure of the graph is available during training. In practice, however, graph-structured data is usually…

机器学习 · 计算机科学 2022-03-29 Chen Wang , Yuheng Qiu , Dasong Gao , Sebastian Scherer

Explainable Graph Neural Networks (GNNs) have been developed and applied to drug-protein binding prediction to identify the key chemical structures in a drug that have active interactions with the target proteins. However, the key…

生物大分子 · 定量生物学 2023-09-25 Yang Wang , Zanyu Shi , Timothy Richardson , Kun Huang , Pathum Weerawarna , Yijie Wang

Polygon representation learning is essential for diverse applications, encompassing tasks such as shape coding, building pattern classification, and geographic question answering. While recent years have seen considerable advancements in…

计算机视觉与模式识别 · 计算机科学 2025-04-10 Dazhou Yu , Yuntong Hu , Yun Li , Liang Zhao

Convolutional Neural Networks (CNNs) have exhibited great performance in discriminative feature learning for complex visual tasks. Besides discrimination power, interpretability is another important yet under-explored property for CNNs. One…

计算机视觉与模式识别 · 计算机科学 2023-12-20 Wengang Guo , Jiayi Yang , Huilin Yin , Qijun Chen , Wei Ye

Graph neural networks (GNNs) are becoming increasingly popular for EEG-based depression detection. However, previous GNN-based methods fail to sufficiently consider the characteristics of depression, thus limiting their performance.…

信号处理 · 电气工程与系统科学 2026-05-11 Yiye Wang , Wenming Zheng , Yang Li , Hao Yang

Graph Neural Networks (GNNs) have emerged as an efficient alternative to convolutional approaches for vision tasks such as image classification, leveraging patch-based representations instead of raw pixels. These methods construct graphs…

计算机视觉与模式识别 · 计算机科学 2025-04-29 Nikolaos Chaidos , Angeliki Dimitriou , Nikolaos Spanos , Athanasios Voulodimos , Giorgos Stamou

Recently, numerous deep models have been proposed to enhance the performance of multivariate time series (MTS) forecasting. Among them, Graph Neural Networks (GNNs)-based methods have shown great potential due to their capability to…

机器学习 · 计算机科学 2025-09-30 Jingqi Xu , Guibin Chen , Jingxi Lu , Yuzhang Lin

Recent research on graph neural networks (GNNs) has explored mechanisms for capturing local uncertainty and exploiting graph hierarchies to mitigate data sparsity and leverage structural properties. However, the synergistic integration of…

机器学习 · 计算机科学 2025-05-06 Yoonhyuk Choi , Jiho Choi , Taewook Ko , Chong-Kwon Kim

Graph Neural Networks (GNNs) have achieved promising performance in a variety of graph-focused tasks. Despite their success, however, existing GNNs suffer from two significant limitations: a lack of interpretability in their results due to…

机器学习 · 统计学 2024-11-19 Wenzhuo Zhou , Annie Qu , Keiland W. Cooper , Norbert Fortin , Babak Shahbaba

Graph Neural Networks (GNNs) achieve an impressive performance on structured graphs by recursively updating the representation vector of each node based on its neighbors, during which parameterized transformation matrices should be learned…

机器学习 · 计算机科学 2019-06-14 Pengfei Chen , Weiwen Liu , Chang-Yu Hsieh , Guangyong Chen , Shengyu Zhang

Recently, graph neural networks (GNNs) have proved to be suitable in tasks on unstructured data. Particularly in tasks as community detection, node classification, and link prediction. However, most GNN models still operate with static…

机器学习 · 计算机科学 2019-06-07 Darwin Saire Pilco , Adín Ramírez Rivera

Predicting interactions between structured entities lies at the core of numerous tasks such as drug regimen and new material design. In recent years, graph neural networks have become attractive. They represent structured entities as graphs…

机器学习 · 计算机科学 2020-04-21 Nuo Xu , Pinghui Wang , Long Chen , Jing Tao , Junzhou Zhao

Graph Neural Networks (GNNs) have paved the way for being a cornerstone in graph-related learning tasks. Yet, the ability of GNNs to capture structural interactions within graphs remains under-explored. In this work, we address this gap by…

机器学习 · 计算机科学 2025-03-04 Asela Hevapathige , Qing Wang

Despite the remarkable success of graph neural networks (GNNs) in modeling graph-structured data, like other machine learning models, GNNs are also susceptible to making biased predictions based on sensitive attributes, such as race and…

机器学习 · 计算机科学 2025-05-23 Cheng Yang , Jixi Liu , Yunhe Yan , Chuan Shi

Graph neural networks (GNNs) excel in graph representation learning by integrating graph structure and node features. Existing GNNs, unfortunately, fail to account for the uncertainty of class probabilities that vary with the depth of the…

机器学习 · 计算机科学 2025-06-17 Qingfeng Chen , Shiyuan Li , Yixin Liu , Shirui Pan , Geoffrey I. Webb , Shichao Zhang

We propose GrainGNN, a surrogate model for the evolution of polycrystalline grain structure under rapid solidification conditions in metal additive manufacturing. High fidelity simulations of solidification microstructures are typically…

计算工程、金融与科学 · 计算机科学 2024-02-02 Yigong Qin , Stephen DeWitt , Balasubramaniam Radhakrishnan , George Biros