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The pathway is a biological term that refers to a series of interactions between molecules in a cell that causes a certain product or a change in the cell. Pathway analysis is a powerful method for gene expression analysis. Through pathway…

Data Structures and Algorithms · Computer Science 2022-01-11 Lingran Xiao , Yanfei Wang , Shiying Li , Lingxi Chen , Shuaicheng Li

Accurate identification of protein binding sites is crucial for understanding biomolecular interaction mechanisms and for the rational design of drug targets. Traditional predictive methods often struggle to balance prediction accuracy with…

Machine Learning · Computer Science 2026-01-06 Weisen Yang , Hanqing Zhang , Wangren Qiu , Xuan Xiao , Weizhong Lin

The success of motion prediction for autonomous driving relies on integration of information from the HD maps. As maps are naturally graph-structured, investigation on graph neural networks (GNNs) for encoding HD maps is burgeoning in…

Artificial Intelligence · Computer Science 2022-09-07 Fang Da , Yu Zhang

Graphs can facilitate modeling various complex systems such as gene networks and power grids, as well as analyzing the underlying relations within them. Learning over graphs has recently attracted increasing attention, particularly graph…

Machine Learning · Computer Science 2023-03-28 O. Deniz Kose , Yanning Shen

Autonomous driving in multi-agent dynamic traffic scenarios is challenging: the behaviors of road users are uncertain and are hard to model explicitly, and the ego-vehicle should apply complicated negotiation skills with them, such as…

Robotics · Computer Science 2022-06-22 Peide Cai , Hengli Wang , Yuxiang Sun , Ming Liu

Graph Neural Networks (GNNs) are deep learning methods which provide the current state of the art performance in node classification tasks. GNNs often assume homophily -- neighboring nodes having similar features and labels--, and therefore…

Machine Learning · Computer Science 2021-10-26 Liheng Ma , Reihaneh Rabbany , Adriana Romero-Soriano

The intelligent behavior of robots does not emerge solely from control systems, but from the tight coupling between body and brain, a principle known as embodied intelligence. Designing soft robots that leverage this interaction remains a…

Robotics · Computer Science 2026-03-23 Jianqiang Wang , Shuaiqun Pan , Alvaro Serra-Gomez , Xiaohan Wei , Yue Xie

Retrieving targeted pathways in biological knowledge bases, particularly when incorporating wet-lab experimental data, remains a challenging task and often requires downstream analyses and specialized expertise. In this paper, we frame this…

Machine Learning · Computer Science 2026-04-14 Rikuto Kotoge , Ziwei Yang , Zheng Chen , Yushun Dong , Yasuko Matsubara , Jimeng Sun , Yasushi Sakurai

For automotive applications, the Graph Attention Network (GAT) is a prominently used architecture to include relational information of a traffic scenario during feature embedding. As shown in this work, however, one of the most popular GAT…

Machine Learning · Computer Science 2023-05-26 Marion Neumeier , Andreas Tollkühn , Sebastian Dorn , Michael Botsch , Wolfgang Utschick

Accurate classification of cancer-related biomedical abstracts is critical for advancing cancer informatics and supporting decision-making in healthcare research. Yet progress in this domain is often constrained by limited availability of…

Artificial Intelligence · Computer Science 2025-10-14 Elias Hossain , Tasfia Nuzhat , Shamsul Masum , Shahram Rahimi , Noorbakhsh Amiri Golilarz

Machine learning models that can exploit the inherent structure in data have gained prominence. In particular, there is a surge in deep learning solutions for graph-structured data, due to its wide-spread applicability in several fields.…

Machine Learning · Computer Science 2020-02-12 Uday Shankar Shanthamallu , Jayaraman J. Thiagarajan , Andreas Spanias

Graph representation learning has rapidly emerged as a pivotal field of study. Despite its growing popularity, the majority of research has been confined to embedding single-layer graphs, which fall short in representing complex systems…

Machine Learning · Computer Science 2024-03-29 Marco Bongiovanni , Luca Gallo , Roberto Grasso , Alfredo Pulvirenti

Omics data analysis is crucial for studying complex diseases, but its high dimensionality and heterogeneity challenge classical statistical and machine learning methods. Graph neural networks have emerged as promising alternatives, yet the…

Graph Attention Network (GAT) and GraphSAGE are neural network architectures that operate on graph-structured data and have been widely studied for link prediction and node classification. One challenge raised by GraphSAGE is how to smartly…

Machine Learning · Computer Science 2020-06-09 Anderson de Andrade , Chen Liu

Motivation: Cell-biological processes are regulated through a complex network of interactions between genes and their products. The processes, their activating conditions, and the associated transcriptional responses are often unknown.…

Molecular Networks · Quantitative Biology 2012-02-03 Leo Lahti , Juha E. A. Knuuttila , Samuel Kaski

Graph or network data is ubiquitous in the real world, including social networks, information networks, traffic networks, biological networks and various technical networks. The non-Euclidean nature of graph data poses the challenge for…

Social and Information Networks · Computer Science 2019-09-06 Junjie Huang , Huawei Shen , Liang Hou , Xueqi Cheng

Graph neural networks (GNNs) are increasingly used to model biological systems, yet the reliability of post-hoc explanation methods for recovering meaningful molecular mechanisms remains unclear. Here, we systematically evaluate four widely…

Molecular Networks · Quantitative Biology 2026-05-22 Kyle Higgins , Ivan Laponogov , Dennis Veselkov , Kirill Veselkov

Graph Attention Network (GAT) is a graph neural network which is one of the strategies for modeling and representing explicit syntactic knowledge and can work with pre-trained models, such as BERT, in downstream tasks. Currently, there is…

Computation and Language · Computer Science 2023-05-24 Yuqian Dai , Serge Sharoff , Marc de Kamps

Predicting the future trajectories of multiple interacting agents in a scene has become an increasingly important problem for many different applications ranging from control of autonomous vehicles and social robots to security and…

Computer Vision and Pattern Recognition · Computer Science 2019-07-18 Vineet Kosaraju , Amir Sadeghian , Roberto Martín-Martín , Ian Reid , S. Hamid Rezatofighi , Silvio Savarese

Understanding how small molecules perturb gene expression is essential for uncovering drug mechanisms, predicting off-target effects, and identifying repurposing opportunities. While prior deep learning frameworks have integrated multimodal…

Machine Learning · Computer Science 2026-01-01 Pascal Passigan , Kevin Zhu , Angelina Ning