scholarly journals Computational Protein Design with Deep Learning Neural Networks

2018 ◽  
Vol 8 (1) ◽  
Author(s):  
Jingxue Wang ◽  
Huali Cao ◽  
John Z. H. Zhang ◽  
Yifei Qi
Keyword(s):  
Neural Networks ◽  
Deep Learning ◽  
Protein Design ◽  
Computational Protein Design

scholarly journals Protein Design with Deep Learning

2021 ◽  
Vol 22 (21) ◽  
pp. 11741
Author(s):  
Marianne Defresne ◽  
Sophie Barbe ◽  
Thomas Schiex
Keyword(s):  
Deep Learning ◽  
Protein Structure ◽  
Amino Acid ◽  
Amino Acid Sequence ◽  
Protein Design ◽  
Computational Protein Design ◽  
Learning Technology ◽  
Raw Data ◽  
The Past ◽  
3D Information

Computational Protein Design (CPD) has produced impressive results for engineering new proteins, resulting in a wide variety of applications. In the past few years, various efforts have aimed at replacing or improving existing design methods using Deep Learning technology to leverage the amount of publicly available protein data. Deep Learning (DL) is a very powerful tool to extract patterns from raw data, provided that data are formatted as mathematical objects and the architecture processing them is well suited to the targeted problem. In the case of protein data, specific representations are needed for both the amino acid sequence and the protein structure in order to capture respectively 1D and 3D information. As no consensus has been reached about the most suitable representations, this review describes the representations used so far, discusses their strengths and weaknesses, and details their associated DL architecture for design and related tasks.

Levenshtein Augmentation Improves Performance of SMILES Based Deep-Learning Synthesis Prediction

2020 ◽  
Author(s):  
Dean Sumner ◽  
Jiazhen He ◽  
Amol Thakkar ◽  
Ola Engkvist ◽  
Esben Jannik Bjerrum
Keyword(s):  
Neural Networks ◽  
Pattern Recognition ◽  
Deep Learning ◽  
Recurrent Neural Networks ◽  
Data Augmentation ◽  
State Of The Art ◽  
Sequence Similarity ◽  
Learning Models ◽  
Underlying Network

<p>SMILES randomization, a form of data augmentation, has previously been shown to increase the performance of deep learning models compared to non-augmented baselines. Here, we propose a novel data augmentation method we call “Levenshtein augmentation” which considers local SMILES sub-sequence similarity between reactants and their respective products when creating training pairs. The performance of Levenshtein augmentation was tested using two state of the art models - transformer and sequence-to-sequence based recurrent neural networks with attention. Levenshtein augmentation demonstrated an increase performance over non-augmented, and conventionally SMILES randomization augmented data when used for training of baseline models. Furthermore, Levenshtein augmentation seemingly results in what we define as <i>attentional gain </i>– an enhancement in the pattern recognition capabilities of the underlying network to molecular motifs.</p>

scholarly journals Deep convolutional neural networks for cardiovascular vulnerable plaque detection

2019 ◽  
Vol 277 ◽  
pp. 02024 ◽  
Author(s):  
Lincan Li ◽  
Tong Jia ◽  
Tianqi Meng ◽  
Yizhe Liu
Keyword(s):  
Neural Networks ◽  
Deep Learning ◽  
Convolutional Neural Networks ◽  
Vulnerable Plaque ◽  
Recall Rate ◽  
Superior Performance ◽  
Learning Approaches ◽  
Deep Convolutional Neural Networks ◽  
Vulnerable Plaques ◽  
Plaque Detection

In this paper, an accurate two-stage deep learning method is proposed to detect vulnerable plaques in ultrasonic images of cardiovascular. Firstly, a Fully Convonutional Neural Network (FCN) named U-Net is used to segment the original Intravascular Optical Coherence Tomography (IVOCT) cardiovascular images. We experiment on different threshold values to find the best threshold for removing noise and background in the original images. Secondly, a modified Faster RCNN is adopted to do precise detection. The modified Faster R-CNN utilize six-scale anchors (122,162,322,642,1282,2562) instead of the conventional one scale or three scale approaches. First, we present three problems in cardiovascular vulnerable plaque diagnosis, then we demonstrate how our method solve these problems. The proposed method in this paper apply deep convolutional neural networks to the whole diagnostic procedure. Test results show the Recall rate, Precision rate, IoU (Intersection-over-Union) rate and Total score are 0.94, 0.885, 0.913 and 0.913 respectively, higher than the 1st team of CCCV2017 Cardiovascular OCT Vulnerable Plaque Detection Challenge. AP of the designed Faster RCNN is 83.4%, higher than conventional approaches which use one-scale or three-scale anchors. These results demonstrate the superior performance of our proposed method and the power of deep learning approaches in diagnose cardiovascular vulnerable plaques.

scholarly journals Automatic Detection of Arrhythmia Based on Multi-Resolution Representation of ECG Signal

Sensors ◽  
2020 ◽  
Vol 20 (6) ◽  
pp. 1579
Author(s):  
Dongqi Wang ◽  
Qinghua Meng ◽  
Dongming Chen ◽  
Hupo Zhang ◽  
Lisheng Xu
Keyword(s):  
Neural Networks ◽  
Deep Learning ◽  
Deep Neural Networks ◽  
Channel Model ◽  
Expert Knowledge ◽  
Automatic Detection ◽  
Data Representation ◽  
Learning Technology ◽  
Arrhythmia Detection ◽  
Automatic Feature Extraction

Automatic detection of arrhythmia is of great significance for early prevention and diagnosis of cardiovascular disease. Traditional feature engineering methods based on expert knowledge lack multidimensional and multi-view information abstraction and data representation ability, so the traditional research on pattern recognition of arrhythmia detection cannot achieve satisfactory results. Recently, with the increase of deep learning technology, automatic feature extraction of ECG data based on deep neural networks has been widely discussed. In order to utilize the complementary strength between different schemes, in this paper, we propose an arrhythmia detection method based on the multi-resolution representation (MRR) of ECG signals. This method utilizes four different up to date deep neural networks as four channel models for ECG vector representations learning. The deep learning based representations, together with hand-crafted features of ECG, forms the MRR, which is the input of the downstream classification strategy. The experimental results of big ECG dataset multi-label classification confirm that the F1 score of the proposed method is 0.9238, which is 1.31%, 0.62%, 1.18% and 0.6% higher than that of each channel model. From the perspective of architecture, this proposed method is highly scalable and can be employed as an example for arrhythmia recognition.

scholarly journals Deep Malaria Parasite Detection in Thin Blood Smear Microscopic Images

2021 ◽  
Vol 11 (5) ◽  
pp. 2284
Author(s):  
Asma Maqsood ◽  
Muhammad Shahid Farid ◽  
Muhammad Hassan Khan ◽  
Marcin Grzegorzek
Keyword(s):  
Neural Networks ◽  
Deep Learning ◽  
Red Blood Cells ◽  
Convolutional Neural Networks ◽  
Blood Cells ◽  
Superior Performance ◽  
Learning Models ◽  
Infected Female ◽  
The World ◽  
Augmentation Techniques

Malaria is a disease activated by a type of microscopic parasite transmitted from infected female mosquito bites to humans. Malaria is a fatal disease that is endemic in many regions of the world. Quick diagnosis of this disease will be very valuable for patients, as traditional methods require tedious work for its detection. Recently, some automated methods have been proposed that exploit hand-crafted feature extraction techniques however, their accuracies are not reliable. Deep learning approaches modernize the world with their superior performance. Convolutional Neural Networks (CNN) are vastly scalable for image classification tasks that extract features through hidden layers of the model without any handcrafting. The detection of malaria-infected red blood cells from segmented microscopic blood images using convolutional neural networks can assist in quick diagnosis, and this will be useful for regions with fewer healthcare experts. The contributions of this paper are two-fold. First, we evaluate the performance of different existing deep learning models for efficient malaria detection. Second, we propose a customized CNN model that outperforms all observed deep learning models. It exploits the bilateral filtering and image augmentation techniques for highlighting features of red blood cells before training the model. Due to image augmentation techniques, the customized CNN model is generalized and avoids over-fitting. All experimental evaluations are performed on the benchmark NIH Malaria Dataset, and the results reveal that the proposed algorithm is 96.82% accurate in detecting malaria from the microscopic blood smears.

scholarly journals Data augmentation for computed tomography angiography via synthetic image generation and neural domain adaptation

2020 ◽  
Vol 6 (1) ◽  
Author(s):  
Malte Seemann ◽  
Lennart Bargsten ◽  
Alexander Schlaefer
Keyword(s):  
Computed Tomography ◽  
Neural Networks ◽  
Deep Learning ◽  
Medical Imaging ◽  
Computed Tomography Angiography ◽  
Data Augmentation ◽  
Domain Adaptation ◽  
Synthetic Image ◽  
Wide Range ◽  
The Impact

AbstractDeep learning methods produce promising results when applied to a wide range of medical imaging tasks, including segmentation of artery lumen in computed tomography angiography (CTA) data. However, to perform sufficiently, neural networks have to be trained on large amounts of high quality annotated data. In the realm of medical imaging, annotations are not only quite scarce but also often not entirely reliable. To tackle both challenges, we developed a two-step approach for generating realistic synthetic CTA data for the purpose of data augmentation. In the first step moderately realistic images are generated in a purely numerical fashion. In the second step these images are improved by applying neural domain adaptation. We evaluated the impact of synthetic data on lumen segmentation via convolutional neural networks (CNNs) by comparing resulting performances. Improvements of up to 5% in terms of Dice coefficient and 20% for Hausdorff distance represent a proof of concept that the proposed augmentation procedure can be used to enhance deep learning-based segmentation for artery lumen in CTA images.

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