Artificial Intelligence Medical Compendium

Explore the latest research on artificial intelligence and machine learning in medicine.

Showing 73,361 to 73,370 of 235,503 articles

Machine learning-driven risk prediction and feature identification for major depressive disorder and its progression: an exploratory study based on five years of longitudinal data from the US national health survey.

Journal of affective disorders
BACKGROUND: Major depressive disorder (MDD) presents significant public health challenges due to its increasing prevalence and complex risk factors. This study systematically analyzed data from 2019 to 2023 to explore trends in MDD incidence, symptom... read more 

Accelerating nonadiabatic molecular dynamics simulations in CdSexTe1-x solar cells with recurrent neural networks.

The Journal of chemical physics
CdSexTe1-x is one of the most commercially successful absorber materials for thin-film solar cells, where Se doping is crucial for enhancing device efficiency. However, the microscopic control mechanisms are not yet clear. This study combines density... read more 

Machine learning approach toward quantum error mitigation for accurate molecular energetics.

The Journal of chemical physics
Despite significant efforts, the realization of the hybrid quantum-classical algorithms has predominantly been confined to proof-of-principles, mainly due to the hardware noise. With fault-tolerant implementation being a long-term goal, going beyond ... read more 

Graph neural network-based structural classification of glass-forming liquids and its interpretation via self-attention mechanism.

The Journal of chemical physics
Glass-forming liquids exhibit slow dynamics below their melting temperatures, maintaining an amorphous structure reminiscent of normal liquids. Distinguishing microscopic structures in the supercooled and high-temperature regimes remains a debated to... read more 

Graph neural networks to predict atomic transition charges and exciton couplings in organic semiconductors.

The Journal of chemical physics
Exciton couplings between molecules in organic semiconductors are important parameters for simulating exciton diffusion, but they are time-consuming to compute from first-principles. Previous works have developed machine-learned models to predict exc... read more 

Benchmarking data efficiency in Δ-ML and multifidelity models for quantum chemistry.

The Journal of chemical physics
The development of machine learning (ML) methods has made quantum chemistry (QC) calculations more accessible by reducing the computational cost incurred in conventional QC methods. This has since been translated into the overhead cost of generating ... read more 

Moving past multidisciplinary discussions and Gender-Age-Physiology model: precision medicine through biological phenotyping in interstitial lung disease.

Current opinion in pulmonary medicine
PURPOSE OF REVIEW: Interstitial lung disease (ILD) presents significant diagnostic and therapeutic challenges due to underlying biological heterogeneity and variable clinical course. Traditional diagnostic and prognostic tools are limited in their ab... read more 

Computational screening of perovskite catalysts for low-temperature Cl2/Cl- redox batteries.

The Journal of chemical physics
There is a growing interest in anionic redox chemistry to improve the energy densities of rechargeable batteries, and the reversible chlorine/chloride reactions are a promising option for low-temperature applications. As such, understanding Cl adsorp... read more 

A scalable machine learning multi-local regression framework for potential energy surface fitting across diverse chemical landscapes.

The Journal of chemical physics
The accurate characterization of the potential energy surface (PES) is fundamental to understanding molecular structures and chemical reaction mechanisms. Traditional approaches, such as ab initio calculations and empirical force fields, struggle to ... read more