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Assessing and Improving Machine Learning Model Predictions of Polymer Glass Transition Temperatures

Ramprasad et al. | Mar 18, 2020

Assessing and Improving Machine Learning Model Predictions of Polymer Glass Transition Temperatures

In this study, the authors test whether providing a larger dataset of glass transition temperatures (Tg) to train the machine-learning platform Polymer Genome would improve its accuracy. Polymer Genome is a machine learning based data-driven informatics platform for polymer property prediction and Tg is one property needed to design new polymers in silico. They found that training the model with their larger, curated dataset improved the algorithm's Tg, providing valuable improvements to this useful platform.

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Transfer Learning for Small and Different Datasets: Fine-Tuning A Pre-Trained Model Affects Performance

Gupta et al. | Oct 18, 2020

Transfer Learning for Small and Different Datasets: Fine-Tuning A Pre-Trained Model Affects Performance

In this study, the authors seek to improve a machine learning algorithm used for image classification: identifying male and female images. In addition to fine-tuning the classification model, they investigate how accuracy is affected by their changes (an important task when developing and updating algorithms). To determine accuracy, a set of images is used to train the model and then a separate set of images is used for validation. They found that the validation accuracy was close to the training accuracy. This study contributes to the expanding areas of machine learning and its applications to image identification.

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Modeling the heart’s reaction to narrow blood vessels

Athulathmudali et al. | May 22, 2023

Modeling the heart’s reaction to narrow blood vessels

Cardiovascular diseases are the largest cause of death globally, making it a critical area of focus. The circulatory system is required to make the heart function. One component of this system is blood vessels, which is the focus of our study. Our work aims to demonstrate the numeric relationship between a blood vessel's diameter and the number of pumps needed to transport blood.

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Homology modeling of clinically-relevant rilpivirine-resistant HIV-RT variants identifies novel rilpivirine analogs with retained binding affinity against NNRTI-resistant HIV mutations

Luk et al. | Jan 24, 2022

Homology modeling of clinically-relevant rilpivirine-resistant HIV-RT variants identifies novel rilpivirine analogs with retained binding affinity against NNRTI-resistant HIV mutations

Human immunodeficiency virus (HIV), which affects tens of millions of individuals worldwide, can lead to acquired immunodeficiency syndrome (AIDS). While there is currently no cure for HIV, the development of small molecule antiretroviral agents has greatly improved the prognosis of infected individuals, especially in developed countries. Here, the authors employ homology modeling and molecular docking towards the identification of novel rilpivirine analogs that retain high binding affinity to clinically relevant rilpivirine-resistant mutations of the HIV reverse transcriptase enzyme.

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Risk assessment modeling for childhood stunting using automated machine learning and demographic analysis

Sirohi et al. | Sep 25, 2022

Risk assessment modeling for childhood stunting using automated machine learning and demographic analysis

Over the last few decades, childhood stunting has persisted as a major global challenge. This study hypothesized that TPTO (Tree-based Pipeline Optimization Tool), an AutoML (automated machine learning) tool, would outperform all pre-existing machine learning models and reveal the positive impact of economic prosperity, strong familial traits, and resource attainability on reducing stunting risk. Feature correlation plots revealed that maternal height, wealth indicators, and parental education were universally important features for determining stunting outcomes approximately two years after birth. These results help inform future research by highlighting how demographic, familial, and socio-economic conditions influence stunting and providing medical professionals with a deployable risk assessment tool for predicting childhood stunting.

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Molecular Alterations in a High-Fat Mouse Model Before the Onset of Diet–Induced Nonalcoholic Fatty Liver Disease

Lee et al. | Sep 20, 2016

Molecular Alterations in a High-Fat Mouse Model Before the Onset of Diet–Induced Nonalcoholic Fatty Liver Disease

Nonalcoholic fatty liver disease (NAFLD) is one of the most prevalent chronic liver diseases worldwide, but there are few studied warning signs for early detection of the disease. Here, researchers study alterations that occur in a mouse model of NAFLD, which indicate the onset of NAFLD sooner. Earlier detection of diseases can lead to better prevention and treatment.

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Temperature and Precipitation Responses to a Stratospheric Aerosol Geoengineering Experiment Using the Community Climate System Model 4

Anderson et al. | Aug 19, 2014

Temperature and Precipitation Responses to a Stratospheric Aerosol Geoengineering Experiment Using the Community Climate System Model 4

We are changing our environment with steadily increasing carbon dioxide emissions, but we might be able to help. The authors here use a computer program called Community Climate System Model 4 to predict the effects of spraying small particles into the atmosphere to reflect away some of the sun's rays. The software predicts that this could reduce the amount of energy the Earth's atmosphere absorbs and may limit but will not completely counteract our carbon dioxide production.

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Modelling effects of alkylamines on sea salt aerosols using the Extended Aerosols and Inorganics Model

Chang et al. | Apr 29, 2022

Modelling effects of alkylamines on sea salt aerosols using the Extended Aerosols and Inorganics Model

With monitoring of climate change and the evolving properties of the atmosphere more critical than ever, the authors of this study take sea salt aerosols into consideration. These sea salt aerosols, sourced from the bubbles found at the surface of the sea, serve as cloud condensation nuclei (CCN) and are effective for the formation of clouds, light scattering in the atmosphere, and cooling of the climate. With amines being involved in the process of CCN formation, the authors explore the effects of alkylamines on the properties of sea salt aerosols and their potential relevance to climate change.

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