AIMC Topic: Algorithms

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SpaMWGDA: Identifying spatial domains of spatial transcriptomes using multi-view weighted fusion graph convolutional network and data augmentation.

PLoS computational biology
The rapid development of spatial transcriptomics (ST) has made it possible to effectively integrate gene expression and spatial information of cells and accurately identify spatial domains. A large number of deep learning (DL)-based methods have been...

Machine learning-based prediction of metabolic dysfunction-associated steatotic liver disease using National Health and Nutrition Examination Survey (NHANES) data.

PloS one
OBJECTIVE: With the global increase in obesity rates and lifestyle changes, metabolic dysfunction-associated steatotic liver disease (MASLD) has become a prevalent chronic liver disorder, affecting approximately 25% of the global population. This dis...

Low-Cost, High-Accuracy Reactivity Modeling: Integrating Genetic Algorithms and Machine Learning with Multilevel DFT Calculations.

Journal of chemical information and modeling
Accurate prediction of Gibbs activation energies (Δ) for Diels-Alder (DA) reactions remains a critical challenge in computational chemistry, as conventional density functional theory (DFT) methods often fail to consistently achieve chemical accuracy ...

From fixed points to optimum regions: AI-NSGA-II framework for high-recovery, low-energy brackish water RO.

Water research
Escalating global freshwater scarcity demands more energy-efficient and sustainable brackish water reverse osmosis (BWRO) desalination. This study demonstrates how integrating high-fidelity Artificial Neural Network (ANN) surrogates with a robust Non...

MSformer: A Meta-Structure Based Interpretable Framework for Representation Learning of Natural Products.

Analytical chemistry
Natural products (NPs) are a treasure trove of drug discovery, yet their structural complexity and extreme data scarcity critically hinder AI-driven exploration. To address this challenge, we present MSformer, a transformer-based architecture that br...

Integrating Model-Based Reconstruction and Deep Learning for Accelerating Mass Spectrometry Imaging.

Analytical chemistry
Mass spectrometry imaging (MSI) is a powerful multiplexed biochemical imaging modality. It relies on raster scanning for localized data acquisition, which can be time-consuming, limiting applications of high-resolution tissue mapping and 3D reconstru...

Vibe Coding in nephrology education: clinician-led, AI-assisted development of open-source interactive learning tools.

Renal failure
Medical education increasingly incorporates digital technologies; however, many tools remain passive and text-based. is a clinician-led design framework that embeds expert reasoning and the cognitive 'feel' of clinical decision-making into interacti...

A Comparative Evaluation of Microimpedance Tomography Reconstruction Algorithms for in Vitro Imaging.

ACS sensors
This paper presents the development of a novel miniature electrical impedance tomography (EIT) system made out of glass, along with the training, validation, and testing of an accompanying open-source machine learning image reconstruction model. Our ...

RLMolLM: Reinforcement Learning-Enhanced Language Model Framework for Inverse Molecular Design.

Journal of chemical information and modeling
Inverse molecular design faces significant challenges due to vast chemical space and complex property requirements. While language models show promise for molecular generation, they struggle with validity, multi-property optimization, and structural ...

Prognostic Value of a Coronary Computed Tomography Angiography-Derived Ischemia Algorithm: Comparison Against Hybrid Coronary Computed Tomography Angiography/Positron Emission Tomography Imaging.

Journal of the American Heart Association
BACKGROUND: Artificial intelligence-guided quantitative computed tomography ischemia (AI-QCT) is a novel machine-learning method for predicting myocardial ischemia from coronary computed tomography angiography (CCTA). This observational cohort study ...