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Prediction of molecular energy using Coulomb matrix and Graph Neural Network

Hazra et al. | Feb 01, 2022

Prediction of molecular energy using Coulomb matrix and Graph Neural Network

With molecular energy being an integral element to the study of molecules and molecular interactions, computational methods to determine molecular energy are used for the preservation of time and resources. However, these computational methods have high demand for computer resources, limiting their widespread feasibility. The authors of this study employed machine learning to address this disadvantage, utilizing neural networks trained on different representations of molecules to predict molecular properties without the requirement of computationally-intensive processing. In their findings, the authors determined the Feedforward Neural Network, trained by two separate models, as capable of predicting molecular energy with limited prediction error.

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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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Using satellite surface temperature data to monitor urban heat island

Meister et al. | Feb 13, 2026

Using satellite surface temperature data to monitor urban heat island
Image credit: Meister, Horvath, and Brown de Colstoun

This manuscript investigates the urban heat island (UHI) effect by utilizing two satellite datasets: Landsat (high spatial resolution, lower temporal resolution) and MODIS (lower spatial resolution, high temporal resolution). The authors hypothesized that Landsat would provide better spatial detail, while MODIS would better capture temporal variations. Their analysis in the Washington D.C.–Baltimore region supports these hypotheses, demonstrating that Landsat offers finer spatial details, whereas MODIS provides more consistent seasonal patterns and better detects heatwave frequencies.

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Deep learning for pulsar detection: Investigating hyperparameter effects on TensorFlow classification accuracy

Upadhyay et al. | Jan 31, 2026

Deep learning for pulsar detection: Investigating hyperparameter effects on TensorFlow classification accuracy

This study investigates how the hyperparameters epochs and batch size affect the classification accuracy of a convolutional neural network (CNN) trained on pulsar candidate data. Our results reveal that accuracy improves with increasing number of epochs and smaller batch sizes, suggesting that with optimized hyperparameters, high accuracy may be achievable with minimal training. These findings offer insights that could help create more efficient machine learning classification models for pulsar signal detection, with the potential of accelerating pulsar discovery and advancing astrophysical research.

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