AIMC Topic: Neural Networks, Computer

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QFlow lite dataset: A machine-learning approach to the charge states in quantum dot experiments.

PloS one
BACKGROUND: Over the past decade, machine learning techniques have revolutionized how research and science are done, from designing new materials and predicting their properties to data mining and analysis to assisting drug discovery to advancing cyb...

Prediction of clinically relevant drug-induced liver injury from structure using machine learning.

Journal of applied toxicology : JAT
Drug-induced liver injury (DILI) is the most common cause of acute liver failure and often responsible for drug withdrawals from the market. Clinical manifestations vary, and toxicity may or may not appear dose-dependent. We present several machine-l...

Regularization of deep neural networks with spectral dropout.

Neural networks : the official journal of the International Neural Network Society
The big breakthrough on the ImageNet challenge in 2012 was partially due to the 'Dropout' technique used to avoid overfitting. Here, we introduce a new approach called 'Spectral Dropout' to improve the generalization ability of deep neural networks. ...

CT image segmentation of bone for medical additive manufacturing using a convolutional neural network.

Computers in biology and medicine
BACKGROUND: The most tedious and time-consuming task in medical additive manufacturing (AM) is image segmentation. The aim of the present study was to develop and train a convolutional neural network (CNN) for bone segmentation in computed tomography...

Protein Family-Specific Models Using Deep Neural Networks and Transfer Learning Improve Virtual Screening and Highlight the Need for More Data.

Journal of chemical information and modeling
Machine learning has shown enormous potential for computer-aided drug discovery. Here we show how modern convolutional neural networks (CNNs) can be applied to structure-based virtual screening. We have coupled our densely connected CNN (DenseNet) wi...

G-Networks to Predict the Outcome of Sensing of Toxicity.

Sensors (Basel, Switzerland)
G-Networks and their simplified version known as the Random Neural Network have often been used to classify data. In this paper, we present a use of the Random Neural Network to the early detection of potential of toxicity chemical compounds through ...

Emergent mechanisms of evidence integration in recurrent neural networks.

PloS one
Recent advances in machine learning have enabled neural networks to solve tasks humans typically perform. These networks offer an exciting new tool for neuroscience that can give us insight in the emergence of neural and behavioral mechanisms. A big ...

Assessing the severity of positive valence symptoms in initial psychiatric evaluation records: Should we use convolutional neural networks?

PloS one
BACKGROUND AND OBJECTIVE: Efficiently capturing the severity of positive valence symptoms could aid in risk stratification for adverse outcomes among patients with psychiatric disorders and identify optimal treatment strategies for patient subgroups....

Weighted contrastive divergence.

Neural networks : the official journal of the International Neural Network Society
Learning algorithms for energy based Boltzmann architectures that rely on gradient descent are in general computationally prohibitive, typically due to the exponential number of terms involved in computing the partition function. In this way one has ...

Variable weighted convolutional neural network for the nitrogen content quantization of Masson pine seedling leaves with near-infrared spectroscopy.

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
Spectroscopy is a powerful non-destructive quantization tool. In this paper, the technology is used to predict the nitrogen content of Masson pine seedling leaves. Masson pine is widely planted in China, and its nitrogen content is an important index...