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The prediction of the atomistic structure and properties of crystals including defects based on ab-initio accurate simulations is essential for unraveling the nano-scale mechanisms that control the micromechanical and macroscopic behaviour…

The recently proposed crystal graph convolutional neural network (CGCNN) offers a highly versatile and accurate machine learning (ML) framework by learning material properties directly from graph-like representations of crystal structures…

Computational Physics · Physics 2020-07-01 Cheol Woo Park , Chris Wolverton

This paper presents a novel approach to credit risk prediction by employing Graph Convolutional Neural Networks (GCNNs) to assess the creditworthiness of borrowers. Leveraging the power of big data and artificial intelligence, the proposed…

Machine Learning · Computer Science 2024-10-08 Mengfang Sun , Wenying Sun , Ying Sun , Shaobo Liu , Mohan Jiang , Zhen Xu

Smart contract vulnerabilities have led to significant financial losses, with their increasing complexity rendering outright prevention of hacks increasingly challenging. This trend highlights the crucial need for advanced forensic analysis…

Cryptography and Security · Computer Science 2025-04-15 Kaihua Qin , Zhe Ye , Zhun Wang , Weilin Li , Liyi Zhou , Chao Zhang , Dawn Song , Arthur Gervais

Smart contracts are self-executing programs on blockchain platforms like Ethereum, which have revolutionized decentralized finance by enabling trustless transactions and the operation of decentralized applications. Despite their potential,…

Software Engineering · Computer Science 2026-03-25 Gerardo Iuliano , Dario Di Nucci

Graph neural networks (GNNs) face significant challenges with class imbalance, leading to biased inference results. To address this issue in heterogeneous graphs, we propose a novel framework that combines Graph Neural Network (GNN) and…

Machine Learning · Computer Science 2024-11-26 Hung-Chun Hsu , Bo-Jun Wu , Ming-Yi Hong , Che Lin , Chih-Yu Wang

While a growing body of literature has been studying new Graph Neural Networks (GNNs) that work on both homophilic and heterophilic graphs, little has been done on adapting classical GNNs to less-homophilic graphs. Although the ability to…

Machine Learning · Computer Science 2024-04-30 Shouheng Li , Dongwoo Kim , Qing Wang

Fraud detection remains a challenging task due to the complex and deceptive nature of fraudulent activities. Current approaches primarily concentrate on learning only one perspective of the graph: either the topological structure of the…

Machine Learning · Computer Science 2025-02-12 Haolin Li , Shuyang Jiang , Lifeng Zhang , Siyuan Du , Guangnan Ye , Hongfeng Chai

With the popularity of blockchain technology, the financial security issues of blockchain transaction networks have become increasingly serious. Phishing scam detection methods will protect possible victims and build a healthier blockchain…

Machine Learning · Computer Science 2021-08-20 Dunjie Zhang , Jinyin Chen

Graph Neural Networks (GNNs) have gained traction in Graph-based Machine Learning as a Service (GMLaaS) platforms, yet they remain vulnerable to graph-based model extraction attacks (MEAs), where adversaries reconstruct surrogate models by…

Machine Learning · Computer Science 2025-03-24 Zhan Cheng , Bolin Shen , Tianming Sha , Yuan Gao , Shibo Li , Yushun Dong

Despite the rapid growth of smart contracts, they are suffering numerous security vulnerabilities due to the absence of reliable development and testing. In this article, we apply the metamorphic testing technique to detect smart contract…

Software Engineering · Computer Science 2023-03-07 Jiahao Li

A large number of real-world networks include multiple types of nodes and edges. Graph Neural Network (GNN) emerged as a deep learning framework to generate node and graph embeddings for downstream machine learning tasks. However, popular…

Machine Learning · Computer Science 2024-11-26 Ziynet Nesibe Kesimoglu , Serdar Bozdag

Advanced computational methods are being actively sought for addressing the challenges associated with discovery and development of new combinatorial material such as formulations. A widely adopted approach involves domain informed…

Graph Neural Networks (GNNs) have emerged as a dominant paradigm for learning on graph-structured data, thanks to their ability to jointly exploit node features and relational information encoded in the graph topology. This joint modeling,…

Machine Learning · Computer Science 2025-12-30 Yongyu Wang

This work considers the problem of heterogeneous graph-level anomaly detection. Heterogeneous graphs are commonly used to represent behaviours between different types of entities in complex industrial systems for capturing as much…

Machine Learning · Computer Science 2023-08-29 Jiaxi Li , Guansong Pang , Ling Chen , Mohammad-Reza Namazi-Rad

Ethereum Smart contracts use blockchain to transfer values among peers on networks without central agency. These programs are deployed on decentralized applications running on top of the blockchain consensus protocol to enable people to…

Cryptography and Security · Computer Science 2021-05-10 Noama Fatima Samreen , Manar H. Alalfi

Predicting molecular properties (e.g., atomization energy) is an essential issue in quantum chemistry, which could speed up much research progress, such as drug designing and substance discovery. Traditional studies based on density…

Computational Physics · Physics 2019-08-20 Chengqiang Lu , Qi Liu , Chao Wang , Zhenya Huang , Peize Lin , Lixin He

The robustness of the much-used Graph Convolutional Networks (GCNs) to perturbations of their input is becoming a topic of increasing importance. In this paper, the random GCN is introduced for which a random matrix theory analysis is…

Machine Learning · Computer Science 2022-02-22 Mohamed El Amine Seddik , Changmin Wu , Johannes F. Lutzeyer , Michalis Vazirgiannis

Graph convolutional network (GCN) is generalization of convolutional neural network (CNN) to work with arbitrarily structured graphs. A binary adjacency matrix is commonly used in training a GCN. Recently, the attention mechanism allows the…

Machine Learning · Statistics 2022-03-03 Chao Shang , Qinqing Liu , Ko-Shin Chen , Jiangwen Sun , Jin Lu , Jinfeng Yi , Jinbo Bi

Smart contracts have transformed decentralized finance by enabling programmable, trustless transactions. However, their widespread adoption and growing financial significance have attracted persistent and sophisticated threats, such as…

Cryptography and Security · Computer Science 2025-08-13 Pasquale De Rosa , Pascal Felber , Valerio Schiavoni
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