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Physiologically Based Pharmacokinetic (PBPK) modeling is a key tool in drug development for predicting drug concentration dynamics across organs. Traditional PBPK approaches rely on ordinary differential equations with simplifying…

Machine Learning · Computer Science 2026-01-06 Su Liu , Xin Hu , Shurong Wen , Chengyi Chen , Jiaqi Liu , Lanruo Wang , Jiexi Xu

Question: Can an encoder-decoder architecture pretrained on a large dataset of longitudinal electronic health records improves patient outcome predictions? Findings: In this prognostic study of 6.8 million patients, our denoising…

Artificial Intelligence · Computer Science 2022-12-26 Zhichao Yang , Weisong Liu , Dan Berlowitz , Hong Yu

This article compares ten recently proposed neural networks and proposes two ensemble neural network-based models for blood glucose prediction. All of them are tested under the same dataset, preprocessing workflow, and tools using the…

Quantitative Methods · Quantitative Biology 2021-09-07 Felix Tena , Oscar Garnica , Juan Lanchares , J. Ignacio Hidalgo

Accurate prediction of residue-level pKa values is essential for understanding protein function, stability, and reactivity. While existing resources such as DeepKaDB and CpHMD-derived datasets provide valuable training data, their…

Chemical Physics · Physics 2026-03-13 Van Le , Tan Le

When developing clinical prediction models, it can be challenging to balance between global models that are valid for all patients and personalized models tailored to individuals or potentially unknown subgroups. To aid such decisions, we…

Probabilistic forecasting of high dimensional multivariate time series is a notoriously challenging task, both in terms of computational burden and distribution modeling. Most previous work either makes simple distribution assumptions or…

Machine Learning · Computer Science 2021-01-27 Nam Nguyen , Brian Quanz

Many clinical deep learning algorithms are population-based and difficult to interpret. Such properties limit their clinical utility as population-based findings may not generalize to individual patients and physicians are reluctant to…

Signal Processing · Electrical Eng. & Systems 2020-12-01 Dani Kiyasseh , Tingting Zhu , David A. Clifton

Blood glucose simulation allows the effectiveness of type 1 diabetes (T1D) management strategies to be evaluated without patient harm. Deep learning algorithms provide a promising avenue for extending simulator capabilities; however, these…

Machine Learning · Computer Science 2023-10-24 Harry Emerson , Ryan McConville , Matthew Guy

Glycemic control is essential for critical care. However, it is a challenging task because there has been no study on personalized optimal strategies for glycemic control. This work aims to learn personalized optimal glycemic trajectories…

Machine Learning · Computer Science 2017-12-05 Wei-Hung Weng , Mingwu Gao , Ze He , Susu Yan , Peter Szolovits

Producing probabilistic forecasts for large collections of similar and/or dependent time series is a practically relevant and challenging task. Classical time series models fail to capture complex patterns in the data, and multivariate…

Machine Learning · Statistics 2019-05-30 Yuyang Wang , Alex Smola , Danielle C. Maddix , Jan Gasthaus , Dean Foster , Tim Januschowski

People with diabetes have to manage their blood glucose level to keep it within an appropriate range. Predicting whether future glucose values will be outside the healthy threshold is of vital importance in order to take corrective actions…

Machine Learning · Computer Science 2023-04-03 J. Alvarado , J. Manuel Velasco , F. Chávez , J. Ignacio Hidalgo , F. Fernández de Vega

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…

Machine Learning · Computer Science 2023-01-18 Zhihang Hu , Qinze Yu , Yucheng Guo , Taifeng Wang , Irwin King , Xin Gao , Le Song , Yu Li

Managing Type 1 Diabetes (T1D) demands constant vigilance as individuals strive to regulate their blood glucose levels and avoid dysglycemia, including hyperglycemia and hypoglycemia. Despite advances in automated insulin delivery (AID)…

Machine Learning · Computer Science 2026-02-26 Saman Khamesian , Asiful Arefeen , Maria Adela Grando , Bithika M. Thompson , Hassan Ghasemzadeh

Fast, scalable decoding architectures that operate in a block-wise parallel fashion across space and time are essential for real-time fault-tolerant quantum computing. We introduce a scalable AI-based pre-decoder for the surface code that…

Quantum Physics · Physics 2026-04-15 Christopher Chamberland , Jan Olle , Muyuan Li , Scott Thornton , Igor Baratta

One of the goals of personalized medicine is to tailor diagnostics to individual patients. Diagnostics are performed in practice by measuring quantities, called biomarkers, that indicate the existence and progress of a disease. In common…

Medical Physics · Physics 2024-12-20 Diego Renner , Georgios Kissas

Population pharmacokinetic/pharmacodynamic (PK/PD) modeling traditionally relies on classical ordinary differential equations to simulate drug dynamics. In this work, we reformulate a compartmental PK/PD model as an open quantum system and…

Machine Learning · Computer Science 2026-05-12 Isshaan Singh , Nandan Patel

We present an end-to-end, interpretable, deep-learning architecture to learn a graph kernel that predicts the outcome of chronic disease drug prescription. This is achieved through a deep metric learning collaborative with a Support Vector…

Machine Learning · Computer Science 2020-08-06 Hao-Ren Yao , Der-Chen Chang , Ophir Frieder , Wendy Huang , I-Chia Liang , Chi-Feng Hung

In the context of medical decision making, counterfactual prediction enables clinicians to predict treatment outcomes of interest under alternative courses of therapeutic actions given observed patient history. In this work, we present…

Machine Learning · Computer Science 2024-09-27 Hong Xiong , Feng Wu , Leon Deng , Megan Su , Li-wei H Lehman

Characterization of a patient clinical phenotype is central to biomedical informatics. ICD codes, assigned to inpatient encounters by coders, is important for population health and cohort discovery when clinical information is limited.…

A deep learning network was used to predict future blood glucose levels, as this can permit diabetes patients to take action before imminent hyperglycaemia and hypoglycaemia. A sequential model with one long-short-term memory (LSTM) layer,…

Machine Learning · Computer Science 2018-09-12 Qingnan Sun , Marko V. Jankovic , Lia Bally , Stavroula G. Mougiakakou