scholarly journals Using the antibody-antigen binding interface to train image-based deep neural networks for antibody-epitope classification

2021 ◽  
Vol 17 (3) ◽  
pp. e1008864
Author(s):  
Daniel R. Ripoll ◽  
Sidhartha Chaudhury ◽  
Anders Wallqvist
Keyword(s):  
Neural Networks ◽  
B Cell ◽  
High Throughput ◽  
Large Scale ◽  
Deep Neural Networks ◽  
Viral Infections ◽  
Adaptive Immune Response ◽  
Sequence Information ◽  
Data Generation ◽  
Binding Interface

High-throughput B-cell sequencing has opened up new avenues for investigating complex mechanisms underlying our adaptive immune response. These technological advances drive data generation and the need to mine and analyze the information contained in these large datasets, in particular the identification of therapeutic antibodies (Abs) or those associated with disease exposure and protection. Here, we describe our efforts to use artificial intelligence (AI)-based image-analyses for prospective classification of Abs based solely on sequence information. We hypothesized that Abs recognizing the same part of an antigen share a limited set of features at the binding interface, and that the binding site regions of these Abs share share common structure and physicochemical property patterns that can serve as a “fingerprint” to recognize uncharacterized Abs. We combined large-scale sequence-based protein-structure predictions to generate ensembles of 3-D Ab models, reduced the Ab binding interface to a 2-D image (fingerprint), used pre-trained convolutional neural networks to extract features, and trained deep neural networks (DNNs) to classify Abs. We evaluated this approach using Ab sequences derived from human HIV and Ebola viral infections to differentiate between two Abs, Abs belonging to specific B-cell family lineages, and Abs with different epitope preferences. In addition, we explored a different type of DNN method to detect one class of Abs from a larger pool of Abs. Testing on Ab sets that had been kept aside during model training, we achieved average prediction accuracies ranging from 71–96% depending on the complexity of the classification task. The high level of accuracies reached during these classification tests suggests that the DNN models were able to learn a series of structural patterns shared by Abs belonging to the same class. The developed methodology provides a means to apply AI-based image recognition techniques to analyze high-throughput B-cell sequencing datasets (repertoires) for Ab classification.

scholarly journals Reconfigurable Binary Neural Network Accelerator with Adaptive Parallelism Scheme

Electronics ◽  
2021 ◽  
Vol 10 (3) ◽  
pp. 230
Author(s):  
Jaechan Cho ◽  
Yongchul Jung ◽  
Seongjoo Lee ◽  
Yunho Jung
Keyword(s):  
Neural Networks ◽  
High Throughput ◽  
Deep Neural Networks ◽  
State Of The Art ◽  
Throughput Performance ◽  
Adaptive Parallelism ◽  
Sensor Applications ◽  
Binary Neural Network ◽  
Target Layer ◽  
Network Topologies

Binary neural networks (BNNs) have attracted significant interest for the implementation of deep neural networks (DNNs) on resource-constrained edge devices, and various BNN accelerator architectures have been proposed to achieve higher efficiency. BNN accelerators can be divided into two categories: streaming and layer accelerators. Although streaming accelerators designed for a specific BNN network topology provide high throughput, they are infeasible for various sensor applications in edge AI because of their complexity and inflexibility. In contrast, layer accelerators with reasonable resources can support various network topologies, but they operate with the same parallelism for all the layers of the BNN, which degrades throughput performance at certain layers. To overcome this problem, we propose a BNN accelerator with adaptive parallelism that offers high throughput performance in all layers. The proposed accelerator analyzes target layer parameters and operates with optimal parallelism using reasonable resources. In addition, this architecture is able to fully compute all types of BNN layers thanks to its reconfigurability, and it can achieve a higher area–speed efficiency than existing accelerators. In performance evaluation using state-of-the-art BNN topologies, the designed BNN accelerator achieved an area–speed efficiency 9.69 times higher than previous FPGA implementations and 24% higher than existing VLSI implementations for BNNs.

scholarly journals Towards pixel-to-pixel deep nucleus detection in microscopy images

2019 ◽  
Vol 20 (1) ◽  
Author(s):  
Fuyong Xing ◽  
Yuanpu Xie ◽  
Xiaoshuang Shi ◽  
Pingjun Chen ◽  
Zizhao Zhang ◽  
...  
Keyword(s):  
Neural Networks ◽  
Large Scale ◽  
Deep Neural Networks ◽  
Image Data ◽  
Fine Tuning ◽  
Cell Detection ◽  
Imaging Protocol ◽  
Microscopy Image ◽  
Microscopy Images ◽  
Target Data

Abstract Background Nucleus or cell detection is a fundamental task in microscopy image analysis and supports many other quantitative studies such as object counting, segmentation, tracking, etc. Deep neural networks are emerging as a powerful tool for biomedical image computing; in particular, convolutional neural networks have been widely applied to nucleus/cell detection in microscopy images. However, almost all models are tailored for specific datasets and their applicability to other microscopy image data remains unknown. Some existing studies casually learn and evaluate deep neural networks on multiple microscopy datasets, but there are still several critical, open questions to be addressed. Results We analyze the applicability of deep models specifically for nucleus detection across a wide variety of microscopy image data. More specifically, we present a fully convolutional network-based regression model and extensively evaluate it on large-scale digital pathology and microscopy image datasets, which consist of 23 organs (or cancer diseases) and come from multiple institutions. We demonstrate that for a specific target dataset, training with images from the same types of organs might be usually necessary for nucleus detection. Although the images can be visually similar due to the same staining technique and imaging protocol, deep models learned with images from different organs might not deliver desirable results and would require model fine-tuning to be on a par with those trained with target data. We also observe that training with a mixture of target and other/non-target data does not always mean a higher accuracy of nucleus detection, and it might require proper data manipulation during model training to achieve good performance. Conclusions We conduct a systematic case study on deep models for nucleus detection in a wide variety of microscopy images, aiming to address several important but previously understudied questions. We present and extensively evaluate an end-to-end, pixel-to-pixel fully convolutional regression network and report a few significant findings, some of which might have not been reported in previous studies. The model performance analysis and observations would be helpful to nucleus detection in microscopy images.

scholarly journals Extensive deep neural networks for transferring small scale learning to large scale systems

2019 ◽  
Vol 10 (15) ◽  
pp. 4129-4140 ◽  
Author(s):  
Kyle Mills ◽  
Kevin Ryczko ◽  
Iryna Luchak ◽  
Adam Domurad ◽  
Chris Beeler ◽  
...  
Keyword(s):  
Neural Network ◽  
Neural Networks ◽  
Large Scale ◽  
Deep Neural Network ◽  
Deep Neural Networks ◽  
Small Scale ◽  
Large Scale Systems ◽  
Energy Entropy ◽  
Large Systems ◽  
Number Of Particles

We present a physically-motivated topology of a deep neural network that can efficiently infer extensive parameters (such as energy, entropy, or number of particles) of arbitrarily large systems, doing so with scaling.

scholarly journals Intuitive Web-Based Experimental Design for High-Throughput Biomedical Data

2015 ◽  
Vol 2015 ◽  
pp. 1-8 ◽  
Author(s):  
Andreas Friedrich ◽  
Erhan Kenar ◽  
Oliver Kohlbacher ◽  
Sven Nahnsen
Keyword(s):  
Big Data ◽  
Experimental Design ◽  
High Throughput ◽  
Large Scale ◽  
Integrated Design ◽  
Added Value ◽  
Biomedical Data ◽  
Data Generation ◽  
Web Based ◽  
Data Annotation

Big data bioinformatics aims at drawing biological conclusions from huge and complex biological datasets. Added value from the analysis of big data, however, is only possible if the data is accompanied by accurate metadata annotation. Particularly in high-throughput experiments intelligent approaches are needed to keep track of the experimental design, including the conditions that are studied as well as information that might be interesting for failure analysis or further experiments in the future. In addition to the management of this information, means for an integrated design and interfaces for structured data annotation are urgently needed by researchers. Here, we propose a factor-based experimental design approach that enables scientists to easily create large-scale experiments with the help of a web-based system. We present a novel implementation of a web-based interface allowing the collection of arbitrary metadata. To exchange and edit information we provide a spreadsheet-based, humanly readable format. Subsequently, sample sheets with identifiers and metainformation for data generation facilities can be created. Data files created after measurement of the samples can be uploaded to a datastore, where they are automatically linked to the previously created experimental design model.

scholarly journals Improving human cortical sulcal curve labeling in large scale cross-sectional MRI using deep neural networks

2019 ◽  
Vol 324 ◽  
pp. 108311 ◽  
Author(s):  
Prasanna Parvathaneni ◽  
Vishwesh Nath ◽  
Maureen McHugo ◽  
Yuankai Huo ◽  
Susan M. Resnick ◽  
...  
Keyword(s):  
Neural Networks ◽  
Large Scale ◽  
Deep Neural Networks ◽  
Cross Sectional

scholarly journals MSpectraAI: a powerful platform for deciphering proteome profiling of multi-tumor mass spectrometry data by using deep neural networks

2020 ◽  
Vol 21 (1) ◽  
Author(s):  
Shisheng Wang ◽  
Hongwen Zhu ◽  
Hu Zhou ◽  
Jingqiu Cheng ◽  
Hao Yang
Keyword(s):  
Mass Spectrometry ◽  
Neural Networks ◽  
Large Scale ◽  
Deep Neural Networks ◽  
Spectral Feature ◽  
Mass Spectrometry Data ◽  
Learning Approaches ◽  
Proteomics Data ◽  
Proteome Profiling ◽  
Analytical Technique

Abstract Background Mass spectrometry (MS) has become a promising analytical technique to acquire proteomics information for the characterization of biological samples. Nevertheless, most studies focus on the final proteins identified through a suite of algorithms by using partial MS spectra to compare with the sequence database, while the pattern recognition and classification of raw mass-spectrometric data remain unresolved. Results We developed an open-source and comprehensive platform, named MSpectraAI, for analyzing large-scale MS data through deep neural networks (DNNs); this system involves spectral-feature swath extraction, classification, and visualization. Moreover, this platform allows users to create their own DNN model by using Keras. To evaluate this tool, we collected the publicly available proteomics datasets of six tumor types (a total of 7,997,805 mass spectra) from the ProteomeXchange consortium and classified the samples based on the spectra profiling. The results suggest that MSpectraAI can distinguish different types of samples based on the fingerprint spectrum and achieve better prediction accuracy in MS1 level (average 0.967). Conclusion This study deciphers proteome profiling of raw mass spectrometry data and broadens the promising application of the classification and prediction of proteomics data from multi-tumor samples using deep learning methods. MSpectraAI also shows a better performance compared to the other classical machine learning approaches.

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