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Taking medicines is a fundamental aspect to cure illnesses. However, studies have shown that it can be hard for patients to remember the correct posology. More aggravating, a wrong dosage generally causes the disease to worsen. Although,…

Computer Vision and Pattern Recognition · Computer Science 2022-03-29 Danilo Avola , Luigi Cinque , Alessio Fagioli , Gian Luca Foresti , Marco Raoul Marini , Alessio Mecca , Daniele Pannone

Deep learning architectures have an extremely high-capacity for modeling complex data in a wide variety of domains. However, these architectures have been limited in their ability to support complex prediction problems using insurance…

Drug discovery is a complex process that involves sequentially screening and examining a vast array of molecules to identify those with the target properties. This process, also referred to as sequential experimentation, faces challenges…

Artificial Intelligence · Computer Science 2024-05-08 Jinghai He , Cheng Hua , Yingfei Wang , Zeyu Zheng

Drug-drug interaction (DDI) prediction is central to drug discovery and clinical development, particularly in the context of increasingly prevalent polypharmacy. Although existing computational methods achieve strong performance on standard…

Machine Learning · Computer Science 2026-01-23 Dong Xu , Jiantao Wu , Qihua Pan , Sisi Yuan , Zexuan Zhu , Junkai Ji

Existing causal inference (CI) models are often restricted to data with low-dimensional confounders and singleton actions. We propose an autoregressive (AR) CI framework capable of handling complex confounders and sequential actions…

Machine Learning · Computer Science 2025-07-08 Daniel Jiwoong Im , Kevin Zhang , Nakul Verma , Kyunghyun Cho

In clinical treatment, identifying potential adverse reactions of drugs can help assist doctors in making medication decisions. In response to the problems in previous studies that features are high-dimensional and sparse, independent…

Quantitative Methods · Quantitative Biology 2024-07-30 Yufeng Li , Wenchao Zhao , Bo Dang , Xu Yan , Weimin Wang , Min Gao , Mingxuan Xiao

Motivation: Drug discovery demands rapid quantification of compound-protein interaction (CPI). However, there is a lack of methods that can predict compound-protein affinity from sequences alone with high applicability, accuracy, and…

Biomolecules · Quantitative Biology 2020-12-17 Mostafa Karimi , Di Wu , Zhangyang Wang , Yang Shen

The graph structure of biomedical data differs from those in typical knowledge graph benchmark tasks. A particular property of biomedical data is the presence of long-range dependencies, which can be captured by patterns described as…

Machine Learning · Computer Science 2020-07-13 Yushan Liu , Marcel Hildebrandt , Mitchell Joblin , Martin Ringsquandl , Volker Tresp

The integration of diverse clinical modalities such as medical imaging and the tabular data extracted from patients' Electronic Health Records (EHRs) is a crucial aspect of modern healthcare. Integrative analysis of multiple sources can…

Computer Vision and Pattern Recognition · Computer Science 2025-04-22 Daniel Duenias , Brennan Nichyporuk , Tal Arbel , Tammy Riklin Raviv

The fundamental challenge of drawing causal inference is that counterfactual outcomes are not fully observed for any unit. Furthermore, in observational studies, treatment assignment is likely to be confounded. Many statistical methods have…

Methodology · Statistics 2022-08-01 Harsh Parikh , Carlos Varjao , Louise Xu , Eric Tchetgen Tchetgen

The accurate screening of candidate drug ligands against target proteins through computational approaches is of prime interest to drug development efforts. Such virtual screening depends in part on methods to predict the binding affinity…

Machine Learning · Computer Science 2024-10-22 Ho-Joon Lee , Prashant S. Emani , Mark B. Gerstein

We live in an age of unprecedented opportunities to use existing data for tasks not anticipated when those data were collected, resulting in widespread data repurposing. This commentary defines and maps the scope of data repurposing to…

Computers and Society · Computer Science 2025-06-12 J. Parsons , R. Lukyanenko , B. Greenwood , C. Cooper

In countries that enabled patients to choose their own providers, a common problem is that the patients did not make rational decisions, and hence, fail to use healthcare resources efficiently. This might cause problems such as overwhelming…

Computers and Society · Computer Science 2020-06-25 Lichin Chen , Yu Tsao , Ji-Tian Sheu

Background: To determine the ability of a commercially available deep learning system, RetCAD v.1.3.1 (Thirona, Nijmegen, The Netherlands) for the automatic detection of referable diabetic retinopathy (DR) on a dataset of colour fundus…

Learning-based planners generate natural human-like driving behaviors by learning to reason about nuanced interactions from data, overcoming the rigid behaviors that arise from rule-based planners. Nonetheless, data-driven approaches often…

Robotics · Computer Science 2025-06-02 Wenhao Ding , Sushant Veer , Yuxiao Chen , Yulong Cao , Chaowei Xiao , Marco Pavone

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…

Understanding the factors that trigger or prevent undesirable health outcomes across patient subpopulations is essential for designing targeted interventions. While randomized controlled trials and expert-led patient interviews are standard…

Artificial Intelligence · Computer Science 2026-05-28 Shishir Adhikari , Guido Muscioni , Mark Shapiro , Plamen Petrov , Elena Zheleva

Data sharing barriers are paramount challenges arising from multicenter clinical trials where multiple data sources are stored in a distributed fashion at different local study sites. Merging such data sources into a common data storage for…

Methodology · Statistics 2022-04-05 Mengtong Hu , Xu Shi , Peter X. -K. Song

Schizophrenia is a severe mental health condition that requires a long and complicated diagnostic process. However, early diagnosis is vital to control symptoms. Deep learning has recently become a popular way to analyse and interpret…

Machine Learning · Computer Science 2022-04-01 Daniel Organisciak , Hubert P. H. Shum , Ephraim Nwoye , Wai Lok Woo

With the rapid development of high-throughput technologies, parallel acquisition of large-scale drug-informatics data provides huge opportunities to improve pharmaceutical research and development. One significant application is the purpose…

Machine Learning · Computer Science 2018-10-03 Lingwei Xie , Song He , Shu Yang , Boyuan Feng , Kun Wan , Zhongnan Zhang , Xiaochen Bo , Yufei Ding