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Graph neural networks for molecular property prediction are frequently underspecified by data and fail to generalise to new scaffolds at test time. A potential solution is Bayesian learning, which can capture our uncertainty in the model…

生物大分子 · 定量生物学 2020-12-04 George Lamb , Brooks Paige

In this paper, we present a framework for studying the following fundamental question in network analysis: How should one assess the centralities of nodes in an information/influence propagation process over a social network? Our framework…

社会与信息网络 · 计算机科学 2018-10-24 Wei Chen , Shang-Hua Teng , Hanrui Zhang

Network detection is an important capability in many areas of applied research in which data can be represented as a graph of entities and relationships. Oftentimes the object of interest is a relatively small subgraph in an enormous,…

社会与信息网络 · 计算机科学 2018-04-12 Steven T. Smith , Kenneth D. Senne , Scott Philips , Edward K. Kao , Garrett Bernstein

Graph neural networks can be effectively applied to find solutions for many real-world problems across widely diverse fields. The success of graph neural networks is linked to the message-passing mechanism on the graph, however, the…

机器学习 · 计算机科学 2022-01-06 Yan Pang , Chao Liu

Node classification using Graph Neural Networks (GNNs) has been widely applied in various real-world scenarios. However, in recent years, compelling evidence emerges that the performance of GNN-based node classification may deteriorate…

机器学习 · 计算机科学 2022-08-23 Jun Zhuang , Mohammad Al Hasan

Identifying influential nodes in complex networks is of great importance, and has many applications in practice. For example, finding influential nodes in e-commerce network can provide merchants with customers with strong purchase intent;…

社会与信息网络 · 计算机科学 2025-08-05 Yanmei Hu , Siyuan Yin , Yihang Wu , Xue Yue , Yue Liu

Cascading failures represent a fundamental threat to the integrity of complex systems, often precipitating a comprehensive collapse across diverse infrastructures and financial networks. This research articulates a robust and pragmatic…

适应与自组织系统 · 物理学 2024-06-28 Karan Singh , V. K. Chandrasekar , D. V. Senthilkumar

Bayesian neural networks (BNNs) augment deep networks with uncertainty quantification by Bayesian treatment of the network weights. However, such models face the challenge of Bayesian inference in a high-dimensional and usually…

机器学习 · 计算机科学 2021-03-30 Zhijie Deng , Yucen Luo , Jun Zhu , Bo Zhang

Graph clustering (or community detection) has long drawn enormous attention from the research on web mining and information networks. Recent literature on this topic has reached a consensus that node contents and link structures should be…

社会与信息网络 · 计算机科学 2017-12-25 Carl Yang , Mengxiong Liu , Zongyi Wang , Liyuan Liu , Jiawei Han

Subtle alterations in brain network topology often evade detection by traditional statistical methods. To address this limitation, we introduce a Bayesian inference framework for topological comparison of brain networks that…

统计方法学 · 统计学 2025-11-06 Xukun Zhu , Michael W Lutz , Tananun Songdechakraiwut

Vital nodes usually play a key role in complex networks. Uncovering these nodes is an important task in protecting the network, especially when the network suffers intentional attack. Many existing methods have not fully integrated the node…

社会与信息网络 · 计算机科学 2025-09-24 Huaizhi Liao , Tian Qiu , Guang Chen

Graph embedding techniques are pivotal in real-world machine learning tasks that operate on graph-structured data, such as social recommendation and protein structure modeling. Embeddings are mostly performed on the node level for learning…

机器学习 · 计算机科学 2022-04-26 Nan Wang , Lu Lin , Jundong Li , Hongning Wang

We present a new approach for recognition of complex graphic symbols in technical documents. Graphic symbol recognition is a well known challenge in the field of document image analysis and is at heart of most graphic recognition systems.…

计算机视觉与模式识别 · 计算机科学 2016-11-17 Muhammad Muzzamil Luqman , Thierry Brouard , Jean-Yves Ramel

This article proposes a novel Bayesian classification framework for networks with labeled nodes. While literature on statistical modeling of network data typically involves analysis of a single network, the recent emergence of complex data…

统计方法学 · 统计学 2020-09-25 Sharmistha Guha , Abel Rodriguez

Modeling uncertainty in deep neural networks, despite recent important advances, is still an open problem. Bayesian neural networks are a powerful solution, where the prior over network weights is a design choice, often a normal…

机器学习 · 统计学 2019-10-29 Raanan Y. Rohekar , Yaniv Gurwicz , Shami Nisimov , Gal Novik

Despite the exploding interest in graph neural networks there has been little effort to verify and improve their robustness. This is even more alarming given recent findings showing that they are extremely vulnerable to adversarial attacks…

机器学习 · 计算机科学 2019-12-20 Aleksandar Bojchevski , Stephan Günnemann

Graph neural networks, a popular class of models effective in a wide range of graph-based learning tasks, have been shown to be vulnerable to adversarial attacks. While the majority of the literature focuses on such vulnerability in…

机器学习 · 统计学 2021-11-05 Xingchen Wan , Henry Kenlay , Binxin Ru , Arno Blaas , Michael A. Osborne , Xiaowen Dong

Uncertain graphs have been widely used to model complex linked data in many real-world applications, such as guaranteed-loan networks and power grids, where a node or edge may be associated with a probability. In these networks, a node…

计算工程、金融与科学 · 计算机科学 2026-02-27 Dawei Cheng , Chen Chen , Xiaoyang Wang , Sheng Xiang

The design of reliable indicators to anticipate critical transitions in complex systems is an im portant task in order to detect a coming sudden regime shift and to take action in order to either prevent it or mitigate its consequences. We…

数据分析、统计与概率 · 物理学 2022-12-14 Martin Heßler , Oliver Kamps

The structure of a Bayesian network includes a great deal of information about the probability distribution of the data, which is uniquely identified given some general distributional assumptions. Therefore it's important to study its…

统计方法学 · 统计学 2011-12-07 Marco Scutari