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Accurate prediction of project duration and cost remains one of the most challenging aspects of project management, particularly in resource-constrained and interdependent task networks. Traditional analytical techniques such as the…

Applications · Statistics 2025-11-20 Reza Mirjalili , Behrad Braghi , Shahram Shadrokh Sikari

Graph Neural Networks (GNNs) are a new research frontier with various applications and successes. The end-to-end inference for all nodes, is common for GNN embedding models, which are widely adopted in applications like recommendation and…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-03-06 Shiyang Chen , Xiang Song , Vasiloudis Theodore , Hang Liu

As a variant of Graph Neural Networks (GNNs), Unfolded GNNs offer enhanced interpretability and flexibility over traditional designs. Nevertheless, they still suffer from scalability challenges when it comes to the training cost. Although…

Machine Learning · Computer Science 2024-03-28 Yongyi Yang , Jiaming Yang , Wei Hu , Michał Dereziński

Graph neural networks (GNNs), which have emerged as an effective method for handling machine learning tasks on graphs, bring a new approach to building recommender systems, where the task of recommendation can be formulated as the link…

Information Retrieval · Computer Science 2022-11-03 Yuwei Hu , Jiajie Li , Zhongming Yu , Zhiru Zhang

Design technology co-optimization (DTCO) plays a critical role in achieving optimal power, performance, and area (PPA) for advanced semiconductor process development. Cell library characterization is essential in DTCO flow, but traditional…

Machine Learning · Computer Science 2024-03-20 Tianliang Ma , Guangxi Fan , Zhihui Deng , Xuguang Sun , Kainlu Low , Leilai Shao

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

Most existing Graph Neural Networks (GNNs) are proposed without considering the selection bias in data, i.e., the inconsistent distribution between the training set with test set. In reality, the test data is not even available during the…

Machine Learning · Computer Science 2022-01-27 Shaohua Fan , Xiao Wang , Chuan Shi , Kun Kuang , Nian Liu , Bai Wang

In this work, we benchmark a variety of single- and multi-task graph neural network (GNN) models against lower-bar and higher-bar traditional machine learning approaches employing human engineered molecular features. We consider four GNN…

Quantitative Methods · Quantitative Biology 2022-02-28 Fabio Broccatelli , Richard Trager , Michael Reutlinger , George Karypis , Mufei Li

Graph Neural Networks (GNNs) have been widely used in various domains, and GNNs with sophisticated computational graph lead to higher latency and larger memory consumption. Optimizing the GNN computational graph suffers from: (1) Redundant…

Machine Learning · Computer Science 2021-10-20 Hengrui Zhang , Zhongming Yu , Guohao Dai , Guyue Huang , Yufei Ding , Yuan Xie , Yu Wang

Modern microelectronic devices are composed of interfaces between a large number of materials, many of which are in amorphous or polycrystalline phases. Modeling such non-crystalline materials using first-principles methods such as density…

Materials Science · Physics 2023-10-12 Pratik Brahma , Krishnakumar Bhattaram , Sayeef Salahuddin

Graph Neural Networks (GNNs) are a predominant method for graph representation learning. However, beyond subgraph frequency estimation, their application to network motif significance-profile (SP) prediction remains under-explored, with no…

Machine Learning · Computer Science 2025-07-11 Pedro C. Vieira , Miguel E. P. Silva , Pedro Manuel Pinto Ribeiro

Provenance-based intrusion detection is an increasingly popular application of graphical machine learning in cybersecurity, where system activities are modeled as provenance graphs to capture causality and correlations among potentially…

Cryptography and Security · Computer Science 2025-11-14 Lingzhi Wang , Vinod Yegneswaran , Xinyi Shi , Ziyu Li , Ashish Gehani , Yan Chen

When employing deep neural networks (DNNs) for semantic segmentation in safety-critical applications like automotive perception or medical imaging, it is important to estimate their performance at runtime, e.g. via uncertainty estimates or…

Computer Vision and Pattern Recognition · Computer Science 2024-09-18 Edgar Heinert , Stephan Tilgner , Timo Palm , Matthias Rottmann

Quantum circuit design is a key bottleneck for practical quantum machine learning on complex, real-world data. We present an automated framework that discovers and refines variational quantum circuits (VQCs) using graph-based Bayesian…

Quantum Physics · Physics 2025-12-11 Prashant Kumar Choudhary , Nouhaila Innan , Muhammad Shafique , Rajeev Singh

Graph neural networks (GNNs) have demonstrated excellent performance in a wide range of applications. However, the enormous size of large-scale graphs hinders their applications under real-time inference scenarios. Although existing…

Machine Learning · Computer Science 2022-12-29 Xinyi Gao , Wentao Zhang , Yingxia Shao , Quoc Viet Hung Nguyen , Bin Cui , Hongzhi Yin

The growing variety of quantum hardware technologies, each with unique peculiarities such as connectivity and native gate sets, creates challenges when selecting the best platform for executing a specific quantum circuit. This selection…

Quantum Physics · Physics 2026-01-29 Antonio Tudisco , Deborah Volpe , Giacomo Orlandi , Giovanna Turvani

Graph neural networks (GNNs) are widely used in many applications. However, their robustness against adversarial attacks is criticized. Prior studies show that using unnoticeable modifications on graph topology or nodal features can…

Machine Learning · Computer Science 2020-02-27 Xianfeng Tang , Yandong Li , Yiwei Sun , Huaxiu Yao , Prasenjit Mitra , Suhang Wang

Graph is a flexible and effective tool to represent complex structures in practice and graph neural networks (GNNs) have been shown to be effective on various graph tasks with randomly separated training and testing data. In real…

Machine Learning · Computer Science 2021-10-11 Shengyu Zhang , Kun Kuang , Jiezhong Qiu , Jin Yu , Zhou Zhao , Hongxia Yang , Zhongfei Zhang , Fei Wu

Despite the recent success of graph neural networks (GNN), common architectures often exhibit significant limitations, including sensitivity to oversmoothing, long-range dependencies, and spurious edges, e.g., as can occur as a result of…

Machine Learning · Computer Science 2021-12-06 Yongyi Yang , Tang Liu , Yangkun Wang , Jinjing Zhou , Quan Gan , Zhewei Wei , Zheng Zhang , Zengfeng Huang , David Wipf

Deep Neural Networks (DNNs) enable a wide series of technological advancements, ranging from clinical imaging, to predictive industrial maintenance and autonomous driving. However, recent findings indicate that transient hardware faults may…

Machine Learning · Computer Science 2022-05-31 Niccolò Cavagnero , Fernando Dos Santos , Marco Ciccone , Giuseppe Averta , Tatiana Tommasi , Paolo Rech