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We discuss the use of the determinantal point process (DPP) as a prior for latent structure in biomedical applications, where inference often centers on the interpretation of latent features as biologically or clinically meaningful…

Methodology · Statistics 2017-02-28 Yanxun Xu , Peter Mueller , Donatello Telesca

Longitudinal modified treatment policies (LMTP) are a class of interventions that allow the definition, identification, and estimation of causal effects in general settings, such as with continuous or multivariate exposures, treatment…

Methodology · Statistics 2026-05-26 Iván Díaz , Nicholas T. Williams , Paweł Morzywołek , Kara E. Rudolph

Structure-based drug design (SBDD), which maps target proteins to candidate molecular ligands, is a fundamental task in drug discovery. Effectively aligning protein structural representations with molecular representations, and ensuring…

Artificial Intelligence · Computer Science 2025-11-03 Wei Zhang , Zekun Guo , Yingce Xia , Peiran Jin , Shufang Xie , Tao Qin , Xiang-Yang Li

Metabolomic data can potentially enable accurate, non-invasive and low-cost prediction of coronary artery disease. Regression-based analytical approaches however might fail to fully account for interactions between metabolites, rely on a…

Outcome-dependent sampling designs are common in many different scientific fields including epidemiology, ecology, and economics. As with all observational studies, such designs often suffer from unmeasured confounding, which generally…

Methodology · Statistics 2020-10-13 Erin E. Gabriel , Michael C. Sachs , Arvid Sjölander

Parkinson's Disease (PD) is a progressive neurodegenerative disorder that significantly impacts both motor and non-motor functions, including speech. Early and accurate recognition of PD through speech analysis can greatly enhance patient…

Numerical Analysis · Mathematics 2024-07-24 Niloofar Fadavi , Nazanin Fadavi

Knowing the uncertainty in a prediction is critical when making expensive investment decisions and when patient safety is paramount, but machine learning (ML) models in drug discovery typically provide only a single best estimate and ignore…

Machine Learning · Computer Science 2021-06-03 Stanley E. Lazic , Dominic P. Williams

To prevent sudden cardiac death, predicting where in the cardiac system an order-disorder phase transition into ventricular fibrillation begins is as important as when it begins. We present a computationally efficient, information-theoretic…

Quantitative Methods · Quantitative Biology 2018-02-02 Hiroshi Ashikaga , Ameneh Asgari-Targhi

Targeted protein degradation (TPD) induced by small molecules has emerged as a rapidly evolving modality in drug discovery, targeting proteins traditionally considered "undruggable". Proteolysis-targeting chimeras (PROTACs) and molecular…

Biomolecules · Quantitative Biology 2025-02-27 Fanglei Xue , Meihan Zhang , Shuqi Li , Xinyu Gao , James A. Wohlschlegel , Wenbing Huang , Yi Yang , Weixian Deng

Atrial Fibrillation is a heart condition characterized by erratic heart rhythms caused by chaotic propagation of electrical impulses in the atria, leading to numerous health complications. State-of-the-art models employ complex algorithms…

Quantitative Methods · Quantitative Biology 2019-12-02 Paul Samuel Ignacio , David Uminsky , Christopher Dunstan , Esteban Escobar , Luke Trujillo

To explain day-to-day (DTD) route-choice behaviors and traffic dynamics observed in a series of lab experiments, Part I of this research proposed a discrete choice-based analytical dynamic model (Qi et al., 2023). Although the deterministic…

Physics and Society · Physics 2023-03-08 Hang Qi , Ning Jia , Xiaobo Qu , Zhengbing He

Major depressive disorder (MDD) is a heterogeneous condition; multiple underlying neurobiological substrates could be associated with treatment response variability. Understanding the sources of this variability and predicting outcomes has…

Background: Pregnancy-associated thrombotic microangiopathy (P-TMA) is rare but life-threatening. Early risk prediction before overt clinical presentation remains challenging, as the associated laboratory abnormalities are subtle,…

Machine Learning · Computer Science 2026-05-14 Chuanchuan Sun , Zhen Yu , Qin Fan , Qingchao Chen , Feng Yu

Parkinson's disease is a neurological condition that occurs in nearly 1% of the world's population. The disease is manifested by a drop in dopamine production, symptoms are cognitive and behavioural and include a wide range of personality…

Image and Video Processing · Electrical Eng. & Systems 2024-01-08 Maria Frasca , Davide La Torre , Gabriella Pravettoni , Ilaria Cutica

Blood Pressure (BP) is one of the four primary vital signs indicating the status of the body's vital (life-sustaining) functions. BP is difficult to continuously monitor using a sphygmomanometer (i.e. a blood pressure cuff), especially in…

Machine Learning · Computer Science 2021-08-03 Ali Tazarv , Marco Levorato

This paper analyzes multi-step temporal difference (TD)-learning algorithms within the ``deadly triad'' scenario, characterized by linear function approximation, off-policy learning, and bootstrapping. In particular, we prove that $n$-step…

Machine Learning · Computer Science 2026-02-24 Han-Dong Lim , Donghwan Lee

Parkinson's disease (PD) is a progressive neurodegenerative condition characterized by the death of dopaminergic neurons, leading to various movement disorder symptoms. Early diagnosis of PD is crucial to prevent adverse effects, yet…

Computer Vision and Pattern Recognition · Computer Science 2025-10-07 Nabil Daiyan , Md Rakibul Haque

Ordinal learning (OL) is a type of machine learning models with broad utility in health care applications such as diagnosis of different grades of a disease (e.g., mild, modest, severe) and prediction of the speed of disease progression…

Machine Learning · Computer Science 2023-12-18 Lujia Wang , Hairong Wang , Yi Su , Fleming Lure , Jing Li

Inferring causality using longitudinal observational databases is challenging due to the passive way the data are collected. The majority of associations found within longitudinal observational data are often non-causal and occur due to…

Computational Engineering, Finance, and Science · Computer Science 2016-11-17 Jenna Reps , Uwe Aickelin

Observational studies can play a useful role in assessing the comparative effectiveness of competing treatments. In a clinical trial the randomization of participants to treatment and control groups generally results in well-balanced groups…

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