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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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The Impact of Age on Post-Concussive Symptoms: A Comparative Study of Symptoms Related and Not Related to the Default Mode Network

Wurscher et al. | Mar 05, 2017

The Impact of Age on Post-Concussive Symptoms: A Comparative Study of Symptoms Related and Not Related to the Default Mode Network

The Default Mode Network (DMN) is a network of connected brain regions that are active when the brain is not focused on external tasks. Minor brain injuries, such as concussions, can affect this network and manifest symptoms. In this study, the authors examined correlations between DMN age and post-concussion symptoms in previously concussed individuals and healthy controls.

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Time-Efficient and Low-Cost Neural Network to detect plant disease on leaves and reduce food loss and waste

Singh et al. | Apr 24, 2023

Time-Efficient and Low-Cost Neural Network to detect plant disease on leaves and reduce food loss and waste

About 25% of the food grown never reaches consumers due to spoilage, and 11.5 billion pounds of produce from gardens are wasted every year. Current solutions involve farmers manually looking for and treating diseased crops. These methods of tending crops are neither time-efficient nor feasible. I used a convolutional neural network to identify signs of plant disease on leaves for garden owners and farmers.

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Hybrid Quantum-Classical Generative Adversarial Network for synthesizing chemically feasible molecules

Sikdar et al. | Jan 10, 2023

Hybrid Quantum-Classical Generative Adversarial Network for synthesizing chemically feasible molecules

Current drug discovery processes can cost billions of dollars and usually take five to ten years. People have been researching and implementing various computational approaches to search for molecules and compounds from the chemical space, which can be on the order of 1060 molecules. One solution involves deep generative models, which are artificial intelligence models that learn from nonlinear data by modeling the probability distribution of chemical structures and creating similar data points from the trends it identifies. Aiming for faster runtime and greater robustness when analyzing high-dimensional data, we designed and implemented a Hybrid Quantum-Classical Generative Adversarial Network (QGAN) to synthesize molecules.

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The Effect of Varying Training on Neural Network Weights and Visualizations

Fountain et al. | Dec 04, 2019

The Effect of Varying Training on Neural Network Weights and Visualizations

Neural networks are used throughout modern society to solve many problems commonly thought of as impossible for computers. Fountain and Rasmus designed a convolutional neural network and ran it with varying levels of training to see if consistent, accurate, and precise changes or patterns could be observed. They found that training introduced and strengthened patterns in the weights and visualizations, the patterns observed may not be consistent between all neural networks.

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Optimizing AI image detection using a Convolutional Neural Network model with Fast Fourier Transform

Gupta et al. | Oct 24, 2025

Optimizing AI image detection using a Convolutional Neural Network model with Fast Fourier Transform

Recent advances in generative AI have made it increasingly hard to distinguish real images from AI-generated ones. Traditional detection models using CNNs or U-net architectures lack precision because they overlook key spatial and frequency domain details. This study introduced a hybrid model combining Convolutional Neural Networks (CNN) with Fast Fourier Transform (FFT) to better capture subtle edge and texture patterns.

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