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Unraveling the complexities of Gene Regulatory Networks (GRNs) is crucial for understanding cellular processes and disease mechanisms. Traditional computational methods often struggle with the dynamic nature of these networks. This study…

机器学习 · 计算机科学 2025-03-04 Hakan T. Otal , Abdulhamit Subasi , Furkan Kurt , M. Abdullah Canbaz , Yasin Uzun

Graph neural networks have been used for a variety of learning tasks, such as link prediction, node classification, and node clustering. Among them, link prediction is a relatively under-studied graph learning task, with current…

机器学习 · 计算机科学 2022-08-29 Xinxing Wu , Qiang Cheng

Property prediction plays an important role in material discovery. As an initial step to eventually develop a foundation model for material science, we introduce a new autoencoder called the MHG-GNN, which combines graph neural network…

Disease prediction is a well-known classification problem in medical applications. GCNs provide a powerful tool for analyzing the patients' features relative to each other. This can be achieved by modeling the problem as a graph node…

机器学习 · 计算机科学 2021-11-09 Mahsa Ghorbani , Anees Kazi , Mahdieh Soleymani Baghshah , Hamid R. Rabiee , Nassir Navab

Drug combinations are frequently used for the treatment of cancer patients in order to increase efficacy, decrease adverse side effects, or overcome drug resistance. Given the enormous number of drug combinations, it is cost- and…

分子网络 · 定量生物学 2021-02-18 Peiran Jiang , Shujun Huang , Zhenyuan Fu , Zexuan Sun , Ted M. Lakowski , Pingzhao Hu

Graph Anomaly Detection (GAD) is a challenging and practical research topic where Graph Neural Networks (GNNs) have recently shown promising results. The effectiveness of existing GNNs in GAD has been mainly attributed to the simultaneous…

机器学习 · 计算机科学 2024-10-25 Jiashun Cheng , Zinan Zheng , Yang Liu , Jianheng Tang , Hongwei Wang , Yu Rong , Jia Li , Fugee Tsung

Our work introduces an innovative approach to graph learning by leveraging Hyperdimensional Computing. Graphs serve as a widely embraced method for conveying information, and their utilization in learning has gained significant attention.…

机器学习 · 计算机科学 2024-03-20 Pere Verges , Igor Nunes , Mike Heddes , Tony Givargis , Alexandru Nicolau

We report a flexible language-model based deep learning strategy, applied here to solve complex forward and inverse problems in protein modeling, based on an attention neural network that integrates transformer and graph convolutional…

生物大分子 · 定量生物学 2023-10-20 Markus J. Buehler

Graph neural networks (GNNs) are becoming increasingly popular in the medical domain for the tasks of disease classification and outcome prediction. Since patient data is not readily available as a graph, most existing methods either…

计算机视觉与模式识别 · 计算机科学 2023-10-05 Nithya Bhasker , Stefan Leger , Alexander Zwanenburg , Chethan Babu Reddy , Sebastian Bodenstedt , Steffen Löck , Stefanie Speidel

Extracting informative representations of molecules using Graph neural networks (GNNs) is crucial in AI-driven drug discovery. Recently, the graph research community has been trying to replicate the success of self-supervised pretraining in…

机器学习 · 计算机科学 2022-11-03 Ruoxi Sun , Hanjun Dai , Adams Wei Yu

Social recommendation based on social network has achieved great success in improving the performance of recommendation system. Since social network (user-user relations) and user-item interactions are both naturally represented as…

信息检索 · 计算机科学 2021-09-27 Yiming Zhang , Lingfei Wu , Qi Shen , Yitong Pang , Zhihua Wei , Fangli Xu , Ethan Chang , Bo Long

Many real-world problems can be represented as graph-based learning problems. In this paper, we propose a novel framework for learning spatial and attentional convolution neural networks on arbitrary graphs. Different from previous…

机器学习 · 计算机科学 2019-02-26 Hao Peng , Jianxin Li , Qiran Gong , Senzhang Wang , Yuanxing Ning , Philip S. Yu

Graph Neural Networks (GNNs) have gained popularity in various learning tasks, with successful applications in fields like molecular biology, transportation systems, and electrical grids. These fields naturally use graph data, benefiting…

机器学习 · 计算机科学 2024-09-23 Caio F. Deberaldini Netto , Zhiyang Wang , Luana Ruiz

Recently, Geometric Deep Learning (GDL) has been introduced as a novel and versatile framework for computer-aided disease classification. GDL uses patient meta-information such as age and gender to model patient cohort relations in a graph…

Graph neural networks (GNNs) have been successfully applied in many structured data domains, with applications ranging from molecular property prediction to the analysis of social networks. Motivated by the broad applicability of GNNs, we…

机器学习 · 计算机科学 2021-10-12 Clemens Damke , Eyke Hüllermeier

Nuclei classification is a critical step in computer-aided diagnosis with histopathology images. In the past, various methods have employed graph neural networks (GNN) to analyze cell graphs that model inter-cell relationships by…

计算机视觉与模式识别 · 计算机科学 2024-02-21 Wei Lou , Guanbin Li , Xiang Wan , Haofeng Li

Precision medicine tailored to individual patients has gained significant attention in recent times. Machine learning techniques are now employed to process personalized data from various sources, including images, genetics, and…

机器学习 · 计算机科学 2023-11-27 Jie Lian , Xufang Luo , Caihua Shan , Dongqi Han , Varut Vardhanabhuti , Dongsheng Li

Protein function prediction may be framed as predicting subgraphs (with certain closure properties) of a directed acyclic graph describing the hierarchy of protein functions. Graph neural networks (GNNs), with their built-in inductive bias…

机器学习 · 计算机科学 2020-08-07 Stefan Spalević , Petar Veličković , Jovana Kovačević , Mladen Nikolić

Social and information networks are gaining huge popularity recently due to their various applications. Knowledge representation through graphs in the form of nodes and edges should preserve as many characteristics of the original data as…

机器学习 · 计算机科学 2021-02-08 Rucha Bhalchandra Joshi , Subhankar Mishra

Many applications of machine learning require a model to make accurate pre-dictions on test examples that are distributionally different from training ones, while task-specific labels are scarce during training. An effective approach to…

机器学习 · 计算机科学 2020-02-20 Weihua Hu , Bowen Liu , Joseph Gomes , Marinka Zitnik , Percy Liang , Vijay Pande , Jure Leskovec