Convolutional Neural Network of Atomic Surface Structures to Predict Binding Energies for High-Throughput Screening of Catalysts

2019 ◽  
Author(s):  
Seoin Back ◽  
Junwoong Yoon ◽  
Nianhan Tian ◽  
Wen Zhong ◽  
Kevin Tran ◽  
...  
Keyword(s):  
Neural Network ◽  
Deep Learning ◽  
Convolutional Neural Network ◽  
High Throughput ◽  
High Throughput Screening ◽  
Binding Energies ◽  
Surface Structures ◽  
Voronoi Polyhedra ◽  
Atomic Surface

We present an application of deep-learning convolutional neural network of atomic surface structures using atomic and Voronoi polyhedra-based neighbor information to predict adsorbate binding energies for the application in catalysis.

Convolutional Neural Network of Atomic Surface Structures to Predict Binding Energies for High-Throughput Screening of Catalysts

2019 ◽  
Author(s):  
Seoin Back ◽  
Junwoong Yoon ◽  
Nianhan Tian ◽  
Wen Zhong ◽  
Kevin Tran ◽  
...  
Keyword(s):  
Neural Network ◽  
Deep Learning ◽  
Convolutional Neural Network ◽  
High Throughput ◽  
High Throughput Screening ◽  
Binding Energies ◽  
Surface Structures ◽  
Voronoi Polyhedra ◽  
Atomic Surface

We present an application of deep-learning convolutional neural network of atomic surface structures using atomic and Voronoi polyhedra-based neighbor information to predict adsorbate binding energies for the application in catalysis.

scholarly journals Deep Learning–Based Segmentation and Quantification in Experimental Kidney Histopathology

2020 ◽  
Vol 32 (1) ◽  
pp. 52-68 ◽  
Author(s):  
Nassim Bouteldja ◽  
Barbara M. Klinkhammer ◽  
Roman D. Bülow ◽  
Patrick Droste ◽  
Simon W. Otten ◽  
...  
Keyword(s):  
Neural Network ◽  
Deep Learning ◽  
Convolutional Neural Network ◽  
High Throughput ◽  
Clinical Studies ◽  
High Performance ◽  
Periodic Acid ◽  
Kidney Tissue ◽  
Disease Models ◽  
Periodic Acid Schiff

BackgroundNephropathologic analyses provide important outcomes-related data in experiments with the animal models that are essential for understanding kidney disease pathophysiology. Precision medicine increases the demand for quantitative, unbiased, reproducible, and efficient histopathologic analyses, which will require novel high-throughput tools. A deep learning technique, the convolutional neural network, is increasingly applied in pathology because of its high performance in tasks like histology segmentation.MethodsWe investigated use of a convolutional neural network architecture for accurate segmentation of periodic acid–Schiff-stained kidney tissue from healthy mice and five murine disease models and from other species used in preclinical research. We trained the convolutional neural network to segment six major renal structures: glomerular tuft, glomerulus including Bowman’s capsule, tubules, arteries, arterial lumina, and veins. To achieve high accuracy, we performed a large number of expert-based annotations, 72,722 in total.ResultsMulticlass segmentation performance was very high in all disease models. The convolutional neural network allowed high-throughput and large-scale, quantitative and comparative analyses of various models. In disease models, computational feature extraction revealed interstitial expansion, tubular dilation and atrophy, and glomerular size variability. Validation showed a high correlation of findings with current standard morphometric analysis. The convolutional neural network also showed high performance in other species used in research—including rats, pigs, bears, and marmosets—as well as in humans, providing a translational bridge between preclinical and clinical studies.ConclusionsWe developed a deep learning algorithm for accurate multiclass segmentation of digital whole-slide images of periodic acid–Schiff-stained kidneys from various species and renal disease models. This enables reproducible quantitative histopathologic analyses in preclinical models that also might be applicable to clinical studies.

scholarly journals Effectiveness of transfer learning for enhancing tumor classification with a convolutional neural network on frozen sections

2020 ◽  
Vol 10 (1) ◽  
Author(s):  
Young-Gon Kim ◽  
Sungchul Kim ◽  
Cristina Eunbee Cho ◽  
In Hye Song ◽  
Hee Jin Lee ◽  
...  
Keyword(s):  
Neural Network ◽  
Deep Learning ◽  
Convolutional Neural Network ◽  
Transfer Learning ◽  
Frozen Section ◽  
Medical Center ◽  
External Validation ◽  
Model Performance ◽  
Classification Model ◽  
Training Dataset

AbstractFast and accurate confirmation of metastasis on the frozen tissue section of intraoperative sentinel lymph node biopsy is an essential tool for critical surgical decisions. However, accurate diagnosis by pathologists is difficult within the time limitations. Training a robust and accurate deep learning model is also difficult owing to the limited number of frozen datasets with high quality labels. To overcome these issues, we validated the effectiveness of transfer learning from CAMELYON16 to improve performance of the convolutional neural network (CNN)-based classification model on our frozen dataset (N = 297) from Asan Medical Center (AMC). Among the 297 whole slide images (WSIs), 157 and 40 WSIs were used to train deep learning models with different dataset ratios at 2, 4, 8, 20, 40, and 100%. The remaining, i.e., 100 WSIs, were used to validate model performance in terms of patch- and slide-level classification. An additional 228 WSIs from Seoul National University Bundang Hospital (SNUBH) were used as an external validation. Three initial weights, i.e., scratch-based (random initialization), ImageNet-based, and CAMELYON16-based models were used to validate their effectiveness in external validation. In the patch-level classification results on the AMC dataset, CAMELYON16-based models trained with a small dataset (up to 40%, i.e., 62 WSIs) showed a significantly higher area under the curve (AUC) of 0.929 than those of the scratch- and ImageNet-based models at 0.897 and 0.919, respectively, while CAMELYON16-based and ImageNet-based models trained with 100% of the training dataset showed comparable AUCs at 0.944 and 0.943, respectively. For the external validation, CAMELYON16-based models showed higher AUCs than those of the scratch- and ImageNet-based models. Model performance for slide feasibility of the transfer learning to enhance model performance was validated in the case of frozen section datasets with limited numbers.

scholarly journals Matching Large Baseline Oblique Stereo Images Using an End-to-End Convolutional Neural Network

2021 ◽  
Vol 13 (2) ◽  
pp. 274
Author(s):  
Guobiao Yao ◽  
Alper Yilmaz ◽  
Li Zhang ◽  
Fei Meng ◽  
Haibin Ai ◽  
...  
Keyword(s):  
Neural Network ◽  
Deep Learning ◽  
Convolutional Neural Network ◽  
Stereo Matching ◽  
Least Square ◽  
Affine Invariant ◽  
Stereo Images ◽  
Distance Ratio ◽  
Matching Algorithm ◽  
End To End

The available stereo matching algorithms produce large number of false positive matches or only produce a few true-positives across oblique stereo images with large baseline. This undesired result happens due to the complex perspective deformation and radiometric distortion across the images. To address this problem, we propose a novel affine invariant feature matching algorithm with subpixel accuracy based on an end-to-end convolutional neural network (CNN). In our method, we adopt and modify a Hessian affine network, which we refer to as IHesAffNet, to obtain affine invariant Hessian regions using deep learning framework. To improve the correlation between corresponding features, we introduce an empirical weighted loss function (EWLF) based on the negative samples using K nearest neighbors, and then generate deep learning-based descriptors with high discrimination that is realized with our multiple hard network structure (MTHardNets). Following this step, the conjugate features are produced by using the Euclidean distance ratio as the matching metric, and the accuracy of matches are optimized through the deep learning transform based least square matching (DLT-LSM). Finally, experiments on Large baseline oblique stereo images acquired by ground close-range and unmanned aerial vehicle (UAV) verify the effectiveness of the proposed approach, and comprehensive comparisons demonstrate that our matching algorithm outperforms the state-of-art methods in terms of accuracy, distribution and correct ratio. The main contributions of this article are: (i) our proposed MTHardNets can generate high quality descriptors; and (ii) the IHesAffNet can produce substantial affine invariant corresponding features with reliable transform parameters.

scholarly journals Deep Learning Algorithm Trained with COVID-19 Pneumonia Also Identifies Immune Checkpoint Inhibitor Therapy-Related Pneumonitis

Cancers ◽  
2021 ◽  
Vol 13 (4) ◽  
pp. 652 ◽  
Author(s):  
Carlo Augusto Mallio ◽  
Andrea Napolitano ◽  
Gennaro Castiello ◽  
Francesco Maria Giordano ◽  
Pasquale D'Alessio ◽  
...  
Keyword(s):  
Neural Network ◽  
Computed Tomography ◽  
Deep Learning ◽  
Convolutional Neural Network ◽  
Immune Checkpoint ◽  
Immune Checkpoint Inhibitor ◽  
Learning Algorithm ◽  
Checkpoint Inhibitor ◽  
Deep Convolutional Neural Network ◽  
Deep Learning Algorithm

Background: Coronavirus disease 2019 (COVID-19) pneumonia and immune checkpoint inhibitor (ICI) therapy-related pneumonitis share common features. The aim of this study was to determine on chest computed tomography (CT) images whether a deep convolutional neural network algorithm is able to solve the challenge of differential diagnosis between COVID-19 pneumonia and ICI therapy-related pneumonitis. Methods: We enrolled three groups: a pneumonia-free group (n = 30), a COVID-19 group (n = 34), and a group of patients with ICI therapy-related pneumonitis (n = 21). Computed tomography images were analyzed with an artificial intelligence (AI) algorithm based on a deep convolutional neural network structure. Statistical analysis included the Mann–Whitney U test (significance threshold at p < 0.05) and the receiver operating characteristic curve (ROC curve). Results: The algorithm showed low specificity in distinguishing COVID-19 from ICI therapy-related pneumonitis (sensitivity 97.1%, specificity 14.3%, area under the curve (AUC) = 0.62). ICI therapy-related pneumonitis was identified by the AI when compared to pneumonia-free controls (sensitivity = 85.7%, specificity 100%, AUC = 0.97). Conclusions: The deep learning algorithm is not able to distinguish between COVID-19 pneumonia and ICI therapy-related pneumonitis. Awareness must be increased among clinicians about imaging similarities between COVID-19 and ICI therapy-related pneumonitis. ICI therapy-related pneumonitis can be applied as a challenge population for cross-validation to test the robustness of AI models used to analyze interstitial pneumonias of variable etiology.

scholarly journals A Review of Plant Phenotypic Image Recognition Technology Based on Deep Learning

Electronics ◽  
2021 ◽  
Vol 10 (1) ◽  
pp. 81
Author(s):  
Jianbin Xiong ◽  
Dezheng Yu ◽  
Shuangyin Liu ◽  
Lei Shu ◽  
Xiaochan Wang ◽  
...  
Keyword(s):  
Neural Network ◽  
Deep Learning ◽  
Convolutional Neural Network ◽  
Plant Species ◽  
Image Recognition ◽  
Recurrent Neural Network ◽  
Plant Diseases ◽  
Learning Methods ◽  
Smart Agriculture ◽  
Important Branch

Plant phenotypic image recognition (PPIR) is an important branch of smart agriculture. In recent years, deep learning has achieved significant breakthroughs in image recognition. Consequently, PPIR technology that is based on deep learning is becoming increasingly popular. First, this paper introduces the development and application of PPIR technology, followed by its classification and analysis. Second, it presents the theory of four types of deep learning methods and their applications in PPIR. These methods include the convolutional neural network, deep belief network, recurrent neural network, and stacked autoencoder, and they are applied to identify plant species, diagnose plant diseases, etc. Finally, the difficulties and challenges of deep learning in PPIR are discussed.

scholarly journals Multiple Pedestrians and Vehicles Tracking in Aerial Imagery Using a Convolutional Neural Network

2021 ◽  
Vol 13 (10) ◽  
pp. 1953
Author(s):  
Seyed Majid Azimi ◽  
Maximilian Kraus ◽  
Reza Bahmanyar ◽  
Peter Reinartz
Keyword(s):  
Neural Network ◽  
Deep Learning ◽  
Convolutional Neural Network ◽  
Object Tracking ◽  
Short Term Memory ◽  
Aerial Imagery ◽  
Future Research ◽  
Short Term ◽  
Term Memory ◽  
Long Short Term Memory

In this paper, we address various challenges in multi-pedestrian and vehicle tracking in high-resolution aerial imagery by intensive evaluation of a number of traditional and Deep Learning based Single- and Multi-Object Tracking methods. We also describe our proposed Deep Learning based Multi-Object Tracking method AerialMPTNet that fuses appearance, temporal, and graphical information using a Siamese Neural Network, a Long Short-Term Memory, and a Graph Convolutional Neural Network module for more accurate and stable tracking. Moreover, we investigate the influence of the Squeeze-and-Excitation layers and Online Hard Example Mining on the performance of AerialMPTNet. To the best of our knowledge, we are the first to use these two for regression-based Multi-Object Tracking. Additionally, we studied and compared the L1 and Huber loss functions. In our experiments, we extensively evaluate AerialMPTNet on three aerial Multi-Object Tracking datasets, namely AerialMPT and KIT AIS pedestrian and vehicle datasets. Qualitative and quantitative results show that AerialMPTNet outperforms all previous methods for the pedestrian datasets and achieves competitive results for the vehicle dataset. In addition, Long Short-Term Memory and Graph Convolutional Neural Network modules enhance the tracking performance. Moreover, using Squeeze-and-Excitation and Online Hard Example Mining significantly helps for some cases while degrades the results for other cases. In addition, according to the results, L1 yields better results with respect to Huber loss for most of the scenarios. The presented results provide a deep insight into challenges and opportunities of the aerial Multi-Object Tracking domain, paving the way for future research.

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