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Learning continuous-time dynamics on complex networks is crucial for understanding, predicting and controlling complex systems in science and engineering. However, this task is very challenging due to the combinatorial complexities in the…

Social and Information Networks · Computer Science 2020-06-19 Chengxi Zang , Fei Wang

In recent years, Graph Neural Networks (GNNs) have made significant advancements, particularly in tasks such as node classification, link prediction, and graph representation. However, challenges arise from biases that can be hidden not…

Machine Learning · Computer Science 2024-04-10 Mahdi Tavassoli Kejani , Fadi Dornaika , Jean-Michel Loubes

Learning on molecule graphs has become an increasingly important topic in AI for science, which takes full advantage of AI to facilitate scientific discovery. Existing solutions on modeling molecules utilize Graph Neural Networks (GNNs) to…

Machine Learning · Computer Science 2025-05-13 Limin Li , Kuo Yang , Wenjie Du , Pengkun Wang , Zhengyang Zhou , Yang Wang

The challenge of effectively learning inter-series correlations for multivariate time series forecasting remains a substantial and unresolved problem. Traditional deep learning models, which are largely dependent on the Transformer paradigm…

Machine Learning · Computer Science 2024-05-29 Wanlin Cai , Kun Wang , Hao Wu , Xiaoxu Chen , Yuankai Wu

Uncertainty quantification is essential for deploying reliable Graph Neural Networks (GNNs), where existing approaches primarily rely on Bayesian inference or ensembles. In this paper, we introduce the first credal graph neural networks…

Machine Learning · Computer Science 2025-12-03 Matteo Tolloso , Davide Bacciu

Graph Neural Networks (GNNs) have become increasingly important due to their representational power and state-of-the-art predictive performance on many fundamental learning tasks. Despite this success, GNNs suffer from fairness issues that…

Machine Learning · Computer Science 2023-07-11 April Chen , Ryan A. Rossi , Namyong Park , Puja Trivedi , Yu Wang , Tong Yu , Sungchul Kim , Franck Dernoncourt , Nesreen K. Ahmed

Graph-based Neural Networks (GNNs) are recent models created for learning representations of nodes (and graphs), which have achieved promising results when detecting patterns that occur in large-scale data relating different entities. Among…

Machine Learning · Computer Science 2021-08-20 Ronald D. R. Pereira , Fabrício Murai

Identifying vulnerable code is a precautionary measure to counter software security breaches. Tedious expert effort has been spent to build static analyzers, yet insecure patterns are barely fully enumerated. This work explores a deep…

Artificial Intelligence · Computer Science 2021-09-09 Yufan Zhuang , Sahil Suneja , Veronika Thost , Giacomo Domeniconi , Alessandro Morari , Jim Laredo

The transition away from carbon-based energy sources poses several challenges for the operation of electricity distribution systems. Increasing shares of distributed energy resources (e.g. renewable energy generators, electric vehicles) and…

Machine Learning · Computer Science 2021-03-15 Francesco Fusco , Bradley Eck , Robert Gormally , Mark Purcell , Seshu Tirupathi

Traffic forecasting is an important application of spatiotemporal series prediction. Among different methods, graph neural networks have achieved so far the most promising results, learning relations between graph nodes then becomes a…

Machine Learning · Computer Science 2024-09-05 Ting Gao , Rodrigo Kappes Marques , Lei Yu

In recent years, there has been a growing interest in using machine learning techniques for the estimation of treatment effects. Most of the best-performing methods rely on representation learning strategies that encourage shared behavior…

Machine Learning · Computer Science 2024-04-19 Roger Pros , Jordi Vitrià

In recent years, Graph Neural Networks (GNNs) have been utilized for various applications ranging from drug discovery to network design and social networks. In many applications, it is impossible to observe some properties of the graph…

Machine Learning · Computer Science 2025-03-12 Moshe Eliasof , Md Shahriar Rahim Siddiqui , Carola-Bibiane Schönlieb , Eldad Haber

Graph Neural Networks (GNN) have shown a strong potential to be integrated into commercial products for network control and management. Early works using GNN have demonstrated an unprecedented capability to learn from different network…

Networking and Internet Architecture · Computer Science 2021-10-05 Miquel Ferriol-Galmés , José Suárez-Varela , Krzysztof Rusek , Pere Barlet-Ros , Albert Cabellos-Aparicio

Accurate simulation of granular flow dynamics is crucial for assessing various geotechnical risks, including landslides and debris flows. Granular flows involve a dynamic rearrangement of particles exhibiting complex transitions from…

Geophysics · Physics 2023-12-13 Yongjin Choi , Krishna Kumar

The increasing size and severity of wildfires across the western United States have generated dangerous levels of PM$_{2.5}$ concentrations in recent years. In a changing climate, expanding the use of prescribed fires is widely considered…

Atmospheric and Oceanic Physics · Physics 2024-05-27 Kyleen Liao , Jatan Buch , Kara Lamb , Pierre Gentine

Uncovering rationales behind predictions of graph neural networks (GNNs) has received increasing attention over recent years. Instance-level GNN explanation aims to discover critical input elements, like nodes or edges, that the target GNN…

Machine Learning · Computer Science 2023-09-06 Tianxiang Zhao , Dongsheng Luo , Xiang Zhang , Suhang Wang

Wildfires, as an integral component of the Earth system, are governed by a complex interplay of atmospheric, oceanic, and terrestrial processes spanning a vast range of spatiotemporal scales. Modeling their global activity on large…

Machine Learning · Computer Science 2026-01-06 Fan Xu , Wei Gong , Hao Wu , Lilan Peng , Nan Wang , Qingsong Wen , Xian Wu , Kun Wang , Xibin Zhao

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,…

Machine Learning · Computer Science 2022-09-20 Minbo Ma , Peng Xie , Fei Teng , Tianrui Li , Bin Wang , Shenggong Ji , Junbo Zhang

We develop a general approach to distill symbolic representations of a learned deep model by introducing strong inductive biases. We focus on Graph Neural Networks (GNNs). The technique works as follows: we first encourage sparse latent…

Machine Learning · Computer Science 2020-11-19 Miles Cranmer , Alvaro Sanchez-Gonzalez , Peter Battaglia , Rui Xu , Kyle Cranmer , David Spergel , Shirley Ho

A fundamental computation for statistical inference and accurate decision-making is to compute the marginal probabilities or most probable states of task-relevant variables. Probabilistic graphical models can efficiently represent the…

Machine Learning · Computer Science 2019-06-28 KiJung Yoon , Renjie Liao , Yuwen Xiong , Lisa Zhang , Ethan Fetaya , Raquel Urtasun , Richard Zemel , Xaq Pitkow
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