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Learning and reasoning about 3D molecular structures with varying size is an emerging and important challenge in machine learning and especially in drug discovery. Equivariant Graph Neural Networks (GNNs) can simultaneously leverage the…

Machine Learning · Computer Science 2022-03-03 Tuan Le , Frank Noé , Djork-Arné Clevert

We propose the joint graph attention neural network (GAT), clustering with adaptive neighbors (CAN) and probabilistic graphical model for dynamic power flow analysis and fault characteristics. In fact, computational efficiency is the main…

Machine Learning · Computer Science 2025-03-25 Tan Le , Van Le

Neural processes (NPs) learn stochastic processes and predict the distribution of target output adaptively conditioned on a context set of observed input-output pairs. Furthermore, Attentive Neural Process (ANP) improved the prediction…

Machine Learning · Computer Science 2019-10-22 Shenghao Qin , Jiacheng Zhu , Jimmy Qin , Wenshuo Wang , Ding Zhao

Graph neural networks (GNNs) have emerged as a powerful tool for effectively mining and learning from graph-structured data, with applications spanning numerous domains. However, most research focuses on static graphs, neglecting the…

Machine Learning · Computer Science 2024-04-30 Yanping Zheng , Lu Yi , Zhewei Wei

Many real-world prediction tasks, particularly those involving entities such as customers or patients, involve both {sequential} and {relational} data. Each entity maintains its own sequence of events while simultaneously engaging in…

Machine Learning · Computer Science 2026-04-03 Yuen Chen , Yulun Wu , Samuel Sharpe , Igor Melnyk , Nam H. Nguyen , Furong Huang , C. Bayan Bruss , Rizal Fathony

The prediction of a stock price has always been a challenging issue, as its volatility can be affected by many factors such as national policies, company financial reports, industry performance, and investor sentiment etc.. In this paper,…

General Finance · Quantitative Finance 2020-09-08 Qiao Zhou , Ningning Liu

Graph attention networks (GATs) are powerful tools for analyzing graph data from various real-world scenarios. To learn representations for downstream tasks, GATs generally attend to all neighbors of the central node when aggregating the…

Machine Learning · Computer Science 2022-10-31 Tiantian He , Haicang Zhou , Yew-Soon Ong , Gao Cong

Predicting the Stock movement attracts much attention from both industry and academia. Despite such significant efforts, the results remain unsatisfactory due to the inherently complicated nature of the stock market driven by factors…

Statistical Finance · Quantitative Finance 2023-03-01 Jingyi Gu , Fadi P. Deek , Guiling Wang

Multivariate time series is prevalent in many scientific and industrial domains. Modeling multivariate signals is challenging due to their long-range temporal dependencies and intricate interactions--both direct and indirect. To confront…

Machine Learning · Computer Science 2023-12-01 Juhyeon Kim , Hyungeun Lee , Seungwon Yu , Ung Hwang , Wooyul Jung , Miseon Park , Kijung Yoon

Multi-label classification aims to recognize multiple objects or attributes from images. However, it is challenging to learn from proper label graphs to effectively characterize such inter-label correlations or dependencies. Current methods…

Computer Vision and Pattern Recognition · Computer Science 2024-01-17 Jin Yuan , Shikai Chen , Yao Zhang , Zhongchao Shi , Xin Geng , Jianping Fan , Yong Rui

Dynamic interactions between entities are prevalent in domains like social platforms, financial systems, healthcare, and e-commerce. These interactions can be effectively represented as time-evolving graphs, where predicting future…

Machine Learning · Computer Science 2026-01-21 Sidharth Agarwal , Tanishq Dubey , Shubham Gupta , Srikanta Bedathur

Graph or network data is ubiquitous in the real world, including social networks, information networks, traffic networks, biological networks and various technical networks. The non-Euclidean nature of graph data poses the challenge for…

Social and Information Networks · Computer Science 2019-09-06 Junjie Huang , Huawei Shen , Liang Hou , Xueqi Cheng

In the area of geographic information processing. There are few researches on geographic text classification. However, the application of this task in Chinese is relatively rare. In our work, we intend to implement a method to extract text…

Computation and Language · Computer Science 2021-01-28 Weipeng Jing , Xianyang Song , Donglin Di , Houbing Song

Multivariate time-series anomaly detection is critically important in many applications, including retail, transportation, power grid, and water treatment plants. Existing approaches for this problem mostly employ either statistical models…

Machine Learning · Computer Science 2023-11-17 Yu Zheng , Huan Yee Koh , Ming Jin , Lianhua Chi , Khoa T. Phan , Shirui Pan , Yi-Ping Phoebe Chen , Wei Xiang

Accurate short-term state forecasting is essential for efficient and stable operation of modern power systems, especially in the context of increasing variability introduced by renewable and distributed energy resources. As these systems…

Machine Learning · Computer Science 2026-05-13 Raffael Theiler , Olga Fink

Stock trend classification remains a fundamental yet challenging task, owing to the intricate time-evolving dynamics between and within stocks. To tackle these two challenges, we propose a graph-based representation learning approach aimed…

Statistical Finance · Quantitative Finance 2024-06-17 Zinuo You , Pengju Zhang , Jin Zheng , John Cartlidge

Graph Attention Network (GAT) focuses on modelling simple undirected and single relational graph data only. This limits its ability to deal with more general and complex multi-relational graphs that contain entities with directed links of…

Artificial Intelligence · Computer Science 2021-09-14 Meiqi Chen , Yuan Zhang , Xiaoyu Kou , Yuntao Li , Yan Zhang

Accurately predicting the binding affinity between drugs and proteins is an essential step for computational drug discovery. Since graph neural networks (GNNs) have demonstrated remarkable success in various graph-related tasks, GNNs have…

Quantitative Methods · Quantitative Biology 2020-12-18 Jingbo Zhou , Shuangli Li , Liang Huang , Haoyi Xiong , Fan Wang , Tong Xu , Hui Xiong , Dejing Dou

Accurate prediction of molecular properties is essential in drug discovery and related fields. However, existing graph neural networks (GNNs) often struggle to simultaneously capture both local and global molecular structures. In this work,…

Machine Learning · Computer Science 2025-08-26 XiaYu Liu , Chao Fan , Yang Liu , Hou-biao Li

The domains of transport and logistics are increasingly relying on autonomous mobile robots for the handling and distribution of passengers or resources. At large system scales, finding decentralized path planning and coordination solutions…

Robotics · Computer Science 2024-10-30 Qingbiao Li , Weizhe Lin , Zhe Liu , Amanda Prorok