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Accurately predicting drug-target interactions (DTIs) is pivotal for advancing drug discovery and target validation techniques. While machine learning approaches including those that are based on Graph Neural Networks (GNN) have achieved…

Machine Learning · Computer Science 2025-09-30 Yuehua Song , Yong Gao

This paper presents a novel deep learning framework for human trajectory prediction and detecting social group membership in crowds. We introduce a generative adversarial pipeline which preserves the spatio-temporal structure of the…

Computer Vision and Pattern Recognition · Computer Science 2018-12-20 Tharindu Fernando , Simon Denman , Sridha Sridharan , Clinton Fookes

In recent years, graph neural networks (GNNs) have emerged as a successful tool in a variety of graph-related applications. However, the performance of GNNs can be deteriorated when noisy connections occur in the original graph structures;…

Machine Learning · Computer Science 2022-01-19 Yixin Liu , Yu Zheng , Daokun Zhang , Hongxu Chen , Hao Peng , Shirui Pan

Distributed Denial of Service (DDoS) attacks represent a persistent and evolving threat to modern networked systems, capable of causing large-scale service disruptions. The complexity of such attacks, often hidden within high-dimensional…

Cryptography and Security · Computer Science 2025-04-29 Harsh Patel

Recent advances in deep learning methods have enabled researchers to develop and apply algorithms for the analysis and modeling of complex networks. These advances have sparked a surge of interest at the interface between network science…

Recent advances and achievements of artificial intelligence (AI) as well as deep and graph learning models have established their usefulness in biomedical applications, especially in drug-drug interactions (DDIs). DDIs refer to a change in…

Generative Adversarial Networks have become one of the most studied frameworks for unsupervised learning due to their intuitive formulation. They have also been shown to be capable of generating convincing examples in limited domains, such…

Machine Learning · Computer Science 2016-12-14 Daniel Jiwoong Im , He Ma , Chris Dongjoo Kim , Graham Taylor

Learning-based methods have become increasingly popular for solving vehicle routing problems due to their near-optimal performance and fast inference speed. Among them, the combination of deep reinforcement learning and graph representation…

Machine Learning · Computer Science 2024-05-22 Zhenwei Wang , Ruibin Bai , Fazlullah Khan , Ender Ozcan , Tiehua Zhang

In recent years, the rapid development of generative artificial intelligence technology has significantly lowered the barrier to creating high-quality fake images, posing a serious challenge to information authenticity and credibility.…

Computer Vision and Pattern Recognition · Computer Science 2026-04-15 Haifeng Zhang , Qinghui He , Xiuli Bi , Bo Liu , Chi-Man Pun , Bin Xiao

Graph learning (GL) can dynamically capture the distribution structure (graph structure) of data based on graph convolutional networks (GCN), and the learning quality of the graph structure directly influences GCN for semi-supervised…

Computer Vision and Pattern Recognition · Computer Science 2020-06-01 Guangfeng Lin , Xiaobing Kang , Kaiyang Liao , Fan Zhao , Yajun Chen

Interaction between pharmacological agents can trigger unexpected adverse events. Capturing richer and more comprehensive information about drug-drug interactions (DDI) is one of the key tasks in public health and drug development.…

Machine Learning · Computer Science 2020-10-19 Yuanfei Dai , Chenhao Guo , Wenzhong Guo , Carsten Eickhoff

Generative adversarial networks (GANs) provide an algorithmic framework for constructing generative models with several appealing properties: they do not require a likelihood function to be specified, only a generating procedure; they…

Machine Learning · Statistics 2017-02-28 Shakir Mohamed , Balaji Lakshminarayanan

Graph neural networks (GNNs) are a class of effective deep learning models for node classification tasks; yet their predictive capability may be severely compromised under adversarially designed unnoticeable perturbations to the graph…

Machine Learning · Computer Science 2023-01-05 Xiao Zang , Jie Chen , Bo Yuan

Exploring the dynamic co-evolution of multiplex graphs and nodal attributes is a compelling question in criminal and terrorism networks. This article is motivated by the study of dynamically evolving interactions among prominent terrorist…

Applications · Statistics 2026-03-24 Jose Rodriguez-Acosta , Sharmistha Guha , Lekha Patel , Kurtis Shuler

Deep neural networks (DNNs) continue to grow rapidly in size, making them infeasible to train on a single device. Pipeline parallelism is commonly used in existing DNN systems to support large-scale DNN training by partitioning a DNN into…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-10-29 Byungsoo Jeon , Mengdi Wu , Shiyi Cao , Sunghyun Kim , Sunghyun Park , Neeraj Aggarwal , Colin Unger , Daiyaan Arfeen , Peiyuan Liao , Xupeng Miao , Mohammad Alizadeh , Gregory R. Ganger , Tianqi Chen , Zhihao Jia

Efficient identification of promising drug candidates for nanomaterial-based delivery systems is essential for advancing next-generation therapeutics. In this work, we present a synergistic framework combining density functional theory…

Computational Physics · Physics 2025-11-07 Chaithanya Purushottam Bhat , Pranav Suryawanshi , Aditya Guneja , Debashis Bandyopadhyay

This study proposes a hybrid deep-learning-metaheuristic framework with a bi-level architecture for road network design problems (NDPs). We train a graph neural network (GNN) to approximate the solution of the user equilibrium (UE) traffic…

Neural and Evolutionary Computing · Computer Science 2023-12-12 Bahman Madadi , Goncalo Homem de Almeida Correia

Understanding dynamic systems like disease outbreaks, social influence, and information diffusion requires effective modeling of complex networks. Traditional evaluation methods for static networks often fall short when applied to temporal…

Social and Information Networks · Computer Science 2025-09-26 Alireza Rashnu , Sadegh Aliakbary

In this paper, we propose an end-to-end graph learning framework, namely Deep Iterative and Adaptive Learning for Graph Neural Networks (DIAL-GNN), for jointly learning the graph structure and graph embeddings simultaneously. We first cast…

Machine Learning · Computer Science 2019-12-18 Yu Chen , Lingfei Wu , Mohammed J. Zaki

Deep graph learning (DGL) has achieved remarkable progress in both business and scientific areas ranging from finance and e-commerce to drug and advanced material discovery. Despite the progress, applying DGL to real-world applications…

Machine Learning · Computer Science 2023-05-09 Jintang Li , Bingzhe Wu , Chengbin Hou , Guoji Fu , Yatao Bian , Liang Chen , Junzhou Huang , Zibin Zheng