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The ubiquity of machine learning, particularly deep learning, applied to graphs is evident in applications ranging from cheminformatics (drug discovery) and bioinformatics (protein interaction prediction) to knowledge graph-based query…

Databases · Computer Science 2025-02-04 Arijit Khan , Xiangyu Ke , Yinghui Wu

Graph classification in medical imaging and drug discovery requires accuracy and robust uncertainty quantification. To address this need, we introduce Conditional Prediction ROC (CP-ROC) bands, offering uncertainty quantification for ROC…

Machine Learning · Computer Science 2024-10-22 Yujia Wu , Bo Yang , Elynn Chen , Yuzhou Chen , Zheshi Zheng

Clinical trials are conducted to test the effectiveness and safety of potential drugs in humans for regulatory approval. Machine learning (ML) has recently emerged as a new tool to assist in clinical trials. Despite this progress, there…

Artificial Intelligence · Computer Science 2023-10-06 Zifeng Wang , Brandon Theodorou , Tianfan Fu , Cao Xiao , Jimeng Sun

Algorithms and technologies are essential tools that pervade all aspects of our daily lives. In the last decades, health care research benefited from new computer-based recruiting methods, the use of federated architectures for data…

Computers and Society · Computer Science 2023-01-26 Chiara Criscuolo , Tommaso Dolci , Mattia Salnitri

Early identification of stroke is crucial for intervention, requiring reliable models. We proposed an efficient retinal image representation together with clinical information to capture a comprehensive overview of cardiovascular health,…

Computer Vision and Pattern Recognition · Computer Science 2024-11-11 Yuqing Huang , Bastian Wittmann , Olga Demler , Bjoern Menze , Neda Davoudi

Machine learning is bringing a paradigm shift to healthcare by changing the process of disease diagnosis and prognosis in clinics and hospitals. This development equips doctors and medical staff with tools to evaluate their hypotheses and…

Accurately predicting the survival of cancer patients is crucial for personalized treatment. However, existing studies focus solely on the relationships between samples with known survival risks, without fully leveraging the value of…

Machine Learning · Computer Science 2025-07-23 Hailin Yue , Hulin Kuang , Jin Liu , Junjian Li , Lanlan Wang , Mengshen He , Jianxin Wang

The topological (or graph) structures of real-world networks are known to be predictive of multiple dynamic properties of the networks. Conventionally, a graph structure is represented using an adjacency matrix or a set of hand-crafted…

Social and Information Networks · Computer Science 2016-10-21 Cheng Li , Xiaoxiao Guo , Qiaozhu Mei

Stacking (or stacked generalization) is an ensemble learning method with one main distinctiveness from the rest: even though several base models are trained on the original data set, their predictions are further used as input data for one…

Machine Learning · Computer Science 2024-04-19 Ilya Ploshchik , Angelos Chatzimparmpas , Andreas Kerren

Automated ICD coding involves assigning standardized diagnostic codes to clinical narratives. The vast label space and extreme class imbalance continue to challenge precise prediction. To address these issues, LabGraph is introduced -- a…

Machine Learning · Computer Science 2026-01-13 Xiaoxiao Deng

Accurate early prediction of in-hospital mortality in intensive care units (ICUs) is essential for timely clinical intervention and efficient resource allocation. This study develops and evaluates machine learning models that integrate both…

Machine Learning · Computer Science 2025-10-22 Nursultan Mamatov , Philipp Kellmeyer

Drug recommendation (DR) systems aim to support healthcare professionals in selecting appropriate medications based on patients' medical conditions. State-of-the-art approaches utilize deep learning techniques for improving DR, but fall…

Information Retrieval · Computer Science 2025-11-03 Yu Lin , Zhen Jia , Philipp Christmann , Xu Zhang , Shengdong Du , Tianrui Li

Improving the precision of heart diseases detection has been investigated by many researchers in the literature. Such improvement induced by the overwhelming health care expenditures and erroneous diagnosis. As a result, various…

Computers and Society · Computer Science 2018-03-29 Israa Ahmed Zriqat , Ahmad Mousa Altamimi , Mohammad Azzeh

The clinical trial process, a critical phase in drug development, is essential for developing new treatments. The primary goal of interventional clinical trials is to evaluate the safety and efficacy of drug-based treatments for specific…

Machine Learning · Computer Science 2024-07-19 Ling Yue , Jonathan Li , Sixue Xing , Md Zabirul Islam , Bolun Xia , Tianfan Fu , Jintai Chen

We introduced a methodology to efficiently exploit natural-language expressed biomedical knowledge for repurposing existing drugs towards diseases for which they were not initially intended. Leveraging on developments in Computational…

Quantitative Methods · Quantitative Biology 2014-06-17 Ruggero Gramatica , T. Di Matteo , Stefano Giorgetti , Massimo Barbiani , Dorian Bevec , Tomaso Aste

Clinical trials are a systematic endeavor to assess the safety and efficacy of new drugs or treatments. Conducting such trials typically demands significant financial investment and meticulous planning, highlighting the need for accurate…

Machine Learning · Computer Science 2025-11-03 Tien Huu Do , Antoine Masquelier , Nae Eoun Lee , Jonathan Crowther

The increasing complexity of computing systems places a tremendous burden on optimizing compilers, requiring ever more accurate and aggressive optimizations. Machine learning offers significant benefits for constructing optimization…

Machine Learning · Computer Science 2020-03-25 Chris Cummins , Zacharias V. Fisches , Tal Ben-Nun , Torsten Hoefler , Hugh Leather

We introduce the Graph Mixture Density Networks, a new family of machine learning models that can fit multimodal output distributions conditioned on graphs of arbitrary topology. By combining ideas from mixture models and graph…

Machine Learning · Computer Science 2021-06-28 Federico Errica , Davide Bacciu , Alessio Micheli

Diabetes, a pervasive and enduring health challenge, imposes significant global implications on health, financial healthcare systems, and societal well-being. This study undertakes a comprehensive exploration of various structural learning…

Machine Learning · Computer Science 2024-03-22 Sheresh Zahoor , Anthony C. Constantinou , Tim M Curtis , Mohammed Hasanuzzaman

Motivation: Drug repurposing is a viable solution for reducing the time and cost associated with drug development. However, thus far, the proposed drug repurposing approaches still need to meet expectations. Therefore, it is crucial to…

Machine Learning · Computer Science 2024-05-21 Ali Gharizadeh , Karim Abbasi , Amin Ghareyazi , Mohammad R. K. Mofrad , Hamid R. Rabiee
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