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Predicting drug side-effects before they occur is a key task in keeping the number of drug-related hospitalizations low and to improve drug discovery processes. Automatic predictors of side-effects generally are not able to process the…

机器学习 · 统计学 2022-12-01 Pietro Bongini , Elisa Messori , Niccolò Pancino , Monica Bianchini

Healthcare artificial intelligence systems often degrade in performance when deployed across institutions, with documented performance drops and perpetuation of discriminatory patterns embedded in data. This brittleness comes, in part, from…

机器学习 · 计算机科学 2026-03-30 Munib Mesinovic , Max Buhlan , Tingting Zhu

Drug combination therapy is a well-established strategy for disease treatment with better effectiveness and less safety degradation. However, identifying novel drug combinations through wet-lab experiments is resource intensive due to the…

机器学习 · 计算机科学 2023-01-18 Zhihang Hu , Qinze Yu , Yucheng Guo , Taifeng Wang , Irwin King , Xin Gao , Le Song , Yu Li

International initiatives such as METABRIC (Molecular Taxonomy of Breast Cancer International Consortium) have collected several multigenomic and clinical data sets to identify the undergoing molecular processes taking place throughout the…

机器学习 · 计算机科学 2022-11-29 Teodora Reu

Clinical trials are essential for drug development but are extremely expensive and time-consuming to conduct. It is beneficial to study similar historical trials when designing a clinical trial. However, lengthy trial documents and lack of…

计算与语言 · 计算机科学 2022-10-11 Zifeng Wang , Jimeng Sun

Benchmark data sets are an indispensable ingredient of the evaluation of graph-based machine learning methods. We release a new data set, compiled from International Planning Competitions (IPC), for benchmarking graph classification,…

机器学习 · 计算机科学 2019-05-17 Patrick Ferber , Tengfei Ma , Siyu Huo , Jie Chen , Michael Katz

Target selection is crucial in pharmaceutical drug discovery, directly influencing clinical trial success. Despite its importance, drug development remains resource-intensive, often taking over a decade with significant financial costs.…

定量方法 · 定量生物学 2024-09-26 David Narganes-Carlon , Anniek Myatt , Mani Mudaliar , Daniel J. Crowther

Clinical trials are pivotal for developing new medical treatments but typically carry risks such as patient mortality and enrollment failure that waste immense efforts spanning over a decade. Applying artificial intelligence (AI) to predict…

We explore the usage of meta-learning to derive the causal direction between variables by optimizing over a measure of distribution simplicity. We incorporate a stochastic graph representation which includes latent variables and allows for…

机器学习 · 计算机科学 2021-06-11 Justin Wong , Dominik Damjakob

Randomized controlled trials (RCT) are the gold standards for evaluating the efficacy and safety of therapeutic interventions in human subjects. In addition to the pre-specified endpoints, trial participants' experience reveals the time…

人机交互 · 计算机科学 2024-01-31 Zuotian Li , Xiang Liu , Zelei Cheng , Yingjie Chen , Wanzhu Tu , Jing Su

Clinicians prescribe antibiotics by looking at the patient's health record with an experienced eye. However, the therapy might be rendered futile if the patient has drug resistance. Determining drug resistance requires time-consuming…

人工智能 · 计算机科学 2023-03-09 Honglin Shu , Pei Gao , Lingwei Zhu , Zheng Chen

Clinical trials provide essential guidance for practicing Evidence-Based Medicine, though often accompanying with unendurable costs and risks. To optimize the design of clinical trials, we introduce a novel Clinical Trial Result Prediction…

计算与语言 · 计算机科学 2020-10-13 Qiao Jin , Chuanqi Tan , Mosha Chen , Xiaozhong Liu , Songfang Huang

Recent advances in graph convolutional networks have significantly improved the performance of chemical predictions, raising a new research question: "how do we explain the predictions of graph convolutional networks?" A possible approach…

Graph-structured data, prevalent in domains ranging from social networks to biochemical analysis, serve as the foundation for diverse real-world systems. While graph neural networks demonstrate proficiency in modeling this type of data,…

机器学习 · 计算机科学 2024-06-21 Wei Ju , Siyu Yi , Yifan Wang , Qingqing Long , Junyu Luo , Zhiping Xiao , Ming Zhang

Algorithm selection using Metalearning aims to find mappings between problem characteristics (i.e. metafeatures) with relative algorithm performance to predict the best algorithm(s) for new datasets. Therefore, it is of the utmost…

信息检索 · 计算机科学 2018-09-18 Tiago Cunha , Carlos Soares , André C. P. L. F. de Carvalho

Clinical trials constitute a critical yet exceptionally challenging and costly stage of drug development (\$2.6B per drug), where protocols are encoded as complex natural language documents, motivating the use of AI systems beyond manual…

人工智能 · 计算机科学 2026-04-06 Sixue Xing , Kerui Wu , Xuanye Xia , Meng Jiang , Jintai Chen , Tianfan Fu

Graph-structured data is prevalent in domains such as social networks, financial transactions, brain networks, and protein interactions. As a result, the research community has produced new databases and analytics engines to process such…

数据库 · 计算机科学 2024-04-02 Puneet Mehrotra , Vaastav Anand , Daniel Margo , Milad Rezaei Hajidehi , Margo Seltzer

Machine learning provides a valuable tool for analyzing high-dimensional functional neuroimaging data, and is proving effective in predicting various neurological conditions, psychiatric disorders, and cognitive patterns. In functional…

机器学习 · 计算机科学 2024-11-25 Anwar Said , Roza G. Bayrak , Tyler Derr , Mudassir Shabbir , Daniel Moyer , Catie Chang , Xenofon Koutsoukos

Graph Neural Networks (GNNs) have demonstrated remarkable efficacy in handling graph-structured data; however, they exhibit failures after deployment, which can cause severe consequences. Hence, conducting thorough testing before deployment…

软件工程 · 计算机科学 2025-12-23 Lichen Yang , Qiang Wang , Zhonghao Yang , Daojing He , Yu Li

Graph embedding provides a feasible methodology to conduct pattern classification for graph-structured data by mapping each data into the vectorial space. Various pioneering works are essentially coding method that concentrates on a…

机器学习 · 计算机科学 2022-10-04 Xue Liu , Dan Sun , Xiaobo Cao , Hao Ye , Wei Wei
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