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Molecular dynamics simulations offer detailed insights into atomic motions but face timescale limitations. Enhanced sampling methods have addressed these challenges but even with machine learning, they often rely on pre-selected…

Machine Learning · Computer Science 2024-09-19 Ziyue Zou , Dedi Wang , Pratyush Tiwary

Signed Graph Neural Networks (SGNNs) are widely adopted to analyze complex patterns in signed graphs with both positive and negative links. Given the noisy nature of real-world connections, the robustness of SGNN has also emerged as a…

Machine Learning · Computer Science 2025-10-28 Junran Wu , Beng Chin Ooi , Ke Xu

Coordination graphs are a central abstraction in cooperative multi-agent reinforcement learning (MARL), yet existing sparse-graph learners lack a theoretically grounded mechanism to decide which edges should exist and how much information…

Artificial Intelligence · Computer Science 2026-05-19 Wei Duan , Junyu Xuan , En Yu , Xiaoyu Yang , Jie Lu

Deep neural networks (DNNs) have demonstrated remarkable performance across various domains, but their inherent complexity makes them challenging to interpret. This is especially true for temporal graph regression tasks due to the complex…

Machine Learning · Computer Science 2025-12-30 Ali Royat , Seyed Mohamad Moghadas , Lesley De Cruz , Adrian Munteanu

The prevailing graph neural network models have achieved significant progress in graph representation learning. However, in this paper, we uncover an ever-overlooked phenomenon: the pre-trained graph representation learning model tested…

Machine Learning · Computer Science 2023-02-14 Hang Gao , Jiangmeng Li , Wenwen Qiang , Lingyu Si , Bing Xu , Changwen Zheng , Fuchun Sun

Self-supervised learning provides a promising path towards eliminating the need for costly label information in representation learning on graphs. However, to achieve state-of-the-art performance, methods often need large numbers of…

We propose a new approach to train a variational information bottleneck (VIB) that improves its robustness to adversarial perturbations. Unlike the traditional methods where the hard labels are usually used for the classification task, we…

Machine Learning · Computer Science 2021-04-30 Weizhu Qian , Bowei Chen , Xiaowei Huang

Graph representation learning is to learn universal node representations that preserve both node attributes and structural information. The derived node representations can be used to serve various downstream tasks, such as node…

Machine Learning · Computer Science 2020-11-16 Yuxiang Ren , Bo Liu , Chao Huang , Peng Dai , Liefeng Bo , Jiawei Zhang

Many works show that node-level predictions of Graph Neural Networks (GNNs) are unrobust to small, often termed adversarial, changes to the graph structure. However, because manual inspection of a graph is difficult, it is unclear if the…

Machine Learning · Computer Science 2023-05-03 Lukas Gosch , Daniel Sturm , Simon Geisler , Stephan Günnemann

To improve the robustness of graph neural networks (GNN), graph structure learning (GSL) has attracted great interest due to the pervasiveness of noise in graph data. Many approaches have been proposed for GSL to jointly learn a clean graph…

Machine Learning · Computer Science 2023-07-06 Shaogao Lv , Gang Wen , Shiyu Liu , Linsen Wei , Ming Li

Graph Neural Networks (GNNs) have established themselves as a key component in addressing diverse graph-based tasks. Despite their notable successes, GNNs remain susceptible to input perturbations in the form of adversarial attacks. This…

Machine Learning · Computer Science 2024-09-13 Moshe Eliasof , Davide Murari , Ferdia Sherry , Carola-Bibiane Schönlieb

While Goal-Conditioned Reinforcement Learning (GCRL) has gained attention, its algorithmic robustness against adversarial perturbations remains unexplored. The attacks and robust representation training methods that are designed for…

Machine Learning · Computer Science 2023-12-21 Xiangyu Yin , Sihao Wu , Jiaxu Liu , Meng Fang , Xingyu Zhao , Xiaowei Huang , Wenjie Ruan

Graph out-of-distribution (OOD) generalization remains a major challenge in graph learning since graph neural networks (GNNs) often suffer from severe performance degradation under distribution shifts. Invariant learning, aiming to extract…

Machine Learning · Computer Science 2025-02-14 Wenyu Mao , Jiancan Wu , Haoyang Liu , Yongduo Sui , Xiang Wang

Integrated communication and control serves as a critical ingredient in Multi-Agent Reinforcement Learning. However, partial observability limitations will impair collaboration effectiveness, and a potential solution is to establish…

Multiagent Systems · Computer Science 2025-04-11 Ziqiong Wang , Xiaoxue Yu , Rongpeng Li , Zhifeng Zhao

Graph neural network (GNN) is achieving remarkable performances in a variety of application domains. However, GNN is vulnerable to noise and adversarial attacks in input data. Making GNN robust against noises and adversarial attacks is an…

Machine Learning · Computer Science 2022-08-04 Bharat Runwal , Vivek , Sandeep Kumar

Deep neural networks (DNNs) have achieved significant success in various applications with large-scale and balanced data. However, data in real-world visual recognition are usually long-tailed, bringing challenges to efficient training and…

Computer Vision and Pattern Recognition · Computer Science 2025-09-03 Yifan Lan , Xin Cai , Jun Cheng , Shan Tan

Graph neural networks (GNNs) have attracted significant attention for their outstanding performance in graph learning and node classification tasks. However, their vulnerability to adversarial attacks, particularly through susceptible…

Machine Learning · Computer Science 2024-11-19 Sepideh Neshatfar , Salimeh Yasaei Sekeh

Several self-supervised representation learning methods have been proposed for reinforcement learning (RL) with rich observations. For real-world applications of RL, recovering underlying latent states is crucial, particularly when sensory…

The empirical studies of Graph Neural Networks (GNNs) broadly take the original node feature and adjacency relationship as singleview input, ignoring the rich information of multiple graph views. To circumvent this issue, the multiview…

Machine Learning · Computer Science 2022-10-13 Xiaolong Fan , Maoguo Gong , Yue Wu , Mingyang Zhang , Hao Li , Xiangming Jiang

Benefiting from the message passing mechanism, Graph Neural Networks (GNNs) have been successful on flourish tasks over graph data. However, recent studies have shown that attackers can catastrophically degrade the performance of GNNs by…

Machine Learning · Computer Science 2023-04-24 Kuan Li , Yang Liu , Xiang Ao , Jianfeng Chi , Jinghua Feng , Hao Yang , Qing He