scholarly journals Massive computational acceleration by using neural networks to emulate mechanism-based biological models

2019 ◽  
Vol 10 (1) ◽  
Author(s):  
Shangying Wang ◽  
Kai Fan ◽  
Nan Luo ◽  
Yangxiaolu Cao ◽  
Feilun Wu ◽  
...  

Abstract For many biological applications, exploration of the massive parametric space of a mechanism-based model can impose a prohibitive computational demand. To overcome this limitation, we present a framework to improve computational efficiency by orders of magnitude. The key concept is to train a neural network using a limited number of simulations generated by a mechanistic model. This number is small enough such that the simulations can be completed in a short time frame but large enough to enable reliable training. The trained neural network can then be used to explore a much larger parametric space. We demonstrate this notion by training neural networks to predict pattern formation and stochastic gene expression. We further demonstrate that using an ensemble of neural networks enables the self-contained evaluation of the quality of each prediction. Our work can be a platform for fast parametric space screening of biological models with user defined objectives.

2019 ◽  
Author(s):  
Shangying Wang ◽  
Kai Fan ◽  
Nan Luo ◽  
Yangxiaolu Cao ◽  
Feilun Wu ◽  
...  

AbstractMechanism-based mathematical models are the foundation for diverse applications. It is often critical to explore the massive parametric space for each model. However, for many applications, such as agent-based models, partial differential equations, and stochastic differential equations, this practice can impose a prohibitive computational demand. To overcome this limitation, we present a fundamentally new framework to improve computational efficiency by orders of magnitude. The key concept is to train an artificial neural network using a limited number of simulations generated by a mechanistic model. This number is small enough such that the simulations can be completed in a short time frame but large enough to enable reliable training of the neural network. The trained neural network can then be used to explore the system dynamics of a much larger parametric space. We demonstrate this notion by training neural networks to predict self-organized pattern formation and stochastic gene expression. With this framework, we can predict not only the 1-D distribution in space (for partial differential equation models) and probability density function (for stochastic differential equation models) of variables of interest with high accuracy, but also novel system dynamics not present in the training sets. We further demonstrate that using an ensemble of neural networks enables the self-contained evaluation of the quality of each prediction. Our work can potentially be a platform for faster parametric space screening of biological models with user defined objectives.


10.14311/1121 ◽  
2009 ◽  
Vol 49 (2) ◽  
Author(s):  
M. Chvalina

This article analyses the existing possibilities for using Standard Statistical Methods and Artificial Intelligence Methods for a short-term forecast and simulation of demand in the field of telecommunications. The most widespread methods are based on Time Series Analysis. Nowadays, approaches based on Artificial Intelligence Methods, including Neural Networks, are booming. Separate approaches will be used in the study of Demand Modelling in Telecommunications, and the results of these models will be compared with actual guaranteed values. Then we will examine the quality of Neural Network models. 


2018 ◽  
Vol 146 (11) ◽  
pp. 3885-3900 ◽  
Author(s):  
Stephan Rasp ◽  
Sebastian Lerch

Abstract Ensemble weather predictions require statistical postprocessing of systematic errors to obtain reliable and accurate probabilistic forecasts. Traditionally, this is accomplished with distributional regression models in which the parameters of a predictive distribution are estimated from a training period. We propose a flexible alternative based on neural networks that can incorporate nonlinear relationships between arbitrary predictor variables and forecast distribution parameters that are automatically learned in a data-driven way rather than requiring prespecified link functions. In a case study of 2-m temperature forecasts at surface stations in Germany, the neural network approach significantly outperforms benchmark postprocessing methods while being computationally more affordable. Key components to this improvement are the use of auxiliary predictor variables and station-specific information with the help of embeddings. Furthermore, the trained neural network can be used to gain insight into the importance of meteorological variables, thereby challenging the notion of neural networks as uninterpretable black boxes. Our approach can easily be extended to other statistical postprocessing and forecasting problems. We anticipate that recent advances in deep learning combined with the ever-increasing amounts of model and observation data will transform the postprocessing of numerical weather forecasts in the coming decade.


2020 ◽  
Vol 9 (11) ◽  
pp. 3579
Author(s):  
María Prados-Privado ◽  
Javier García Villalón ◽  
Carlos Hugo Martínez-Martínez ◽  
Carlos Ivorra ◽  
Juan Carlos Prados-Frutos

Dental caries is the most prevalent dental disease worldwide, and neural networks and artificial intelligence are increasingly being used in the field of dentistry. This systematic review aims to identify the state of the art of neural networks in caries detection and diagnosis. A search was conducted in PubMed, Institute of Electrical and Electronics Engineers (IEEE) Xplore, and ScienceDirect. Data extraction was performed independently by two reviewers. The quality of the selected studies was assessed using the Cochrane Handbook tool. Thirteen studies were included. Most of the included studies employed periapical, near-infrared light transillumination, and bitewing radiography. The image databases ranged from 87 to 3000 images, with a mean of 669 images. Seven of the included studies labeled the dental caries in each image by experienced dentists. Not all of the studies detailed how caries was defined, and not all detailed the type of carious lesion detected. Each study included in this review used a different neural network and different outcome metrics. All this variability complicates the conclusions that can be made about the reliability or not of a neural network to detect and diagnose caries. A comparison between neural network and dentist results is also necessary.


2018 ◽  
Vol 7 (11) ◽  
pp. 430 ◽  
Author(s):  
Krzysztof Pokonieczny

The classification of terrain in terms of passability plays a significant role in the process of military terrain assessment. It involves classifying selected terrain to specific classes (GO, SLOW-GO, NO-GO). In this article, the problem of terrain classification to the respective category of passability was solved by applying artificial neural networks (multilayer perceptron) to generate a continuous Index of Passability (IOP). The neural networks defined this factor for primary fields in two sizes (1000 × 1000 m and 100 × 100 m) based on the land cover elements obtained from Vector Smart Map (VMap) Level 2 and Shuttle Radar Topography Mission (SRTM). The work used a feedforward neural network consisting of three layers. The paper presents a comprehensive analysis of the reliability of the neural network parameters, taking into account the number of neurons, learning algorithm, activation functions and input data configuration. The studies and tests carried out have shown that a well-trained neural network can automate the process of terrain classification in terms of passability conditions.


Author(s):  
Erol Tutumluer ◽  
Roger W. Meier

The pitfalls inherent in the indiscriminate application of artificial neural networks to numerical modeling problems are illustrated. An example is used of an apparently successful (but ultimately unsuccessful) attempt at training a neural network constitutive model for computing the resilient modulus of gravels as a function of stress state and various material properties. Issues such as the quantity and quality of data needed to successfully train a neural network are explored, and the importance of an independent test set to verify network performance is examined.


2010 ◽  
Vol 450 ◽  
pp. 251-254 ◽  
Author(s):  
Po Tsang B. Huang ◽  
James C. Chen ◽  
Chiuhsiang Joe Lin ◽  
Peng Hua Lyu ◽  
Bo Chen Lai

The use of CNC machines is one of the successful factors in the computer integrated manufacturing (CIM). Even though the CNC machine can automatically perform the machining processes, some of the situations that may significantly influence the quality of product such as a cutting tool breakage. Therefore, to prevent the machine from damaging and ensure the quality of product, it is important to develop a system that can monitor the tool conditions. The purpose of this study is to develop a Taguchi-neural-based in-process tool breakage monitoring system in end milling operations that can monitor the tool conditions and immediately response a proper action. For an in-process tool breakage monitoring system, a neural network was applied to making decisions of monitoring. One of the disadvantages of neural network is the training processes. It is difficult to determine an optimal combination of training parameters of neural networks. Traditionally, the try-and-error method is time-consuming and without systematic base. Therefore, the optimization of training parameters for neural networks using Taguchi design was applied to training the neural network model and to enhance the accuracy of the tool breakage monitoring system.


2021 ◽  
Vol 37 (2) ◽  
pp. 123-143
Author(s):  
Tuan Minh Luu ◽  
Huong Thanh Le ◽  
Tan Minh Hoang

Deep neural networks have been applied successfully to extractive text summarization tasks with the accompany of large training datasets. However, when the training dataset is not large enough, these models reveal certain limitations that affect the quality of the system’s summary. In this paper, we propose an extractive summarization system basing on a Convolutional Neural Network and a Fully Connected network for sentence selection. The pretrained BERT multilingual model is used to generate embeddings vectors from the input text. These vectors are combined with TF-IDF values to produce the input of the text summarization system. Redundant sentences from the output summary are eliminated by the Maximal Marginal Relevance method. Our system is evaluated with both English and Vietnamese languages using CNN and Baomoi datasets, respectively. Experimental results show that our system achieves better results comparing to existing works using the same dataset. It confirms that our approach can be effectively applied to summarize both English and Vietnamese languages.


Author(s):  
S O Stepanenko ◽  
P Y Yakimov

Object classification with use of neural networks is extremely current today. YOLO is one of the most often used frameworks for object classification. It produces high accuracy but the processing speed is not high enough especially in conditions of limited performance of a computer. This article researches use of a framework called NVIDIA TensorRT to optimize YOLO with the aim of increasing the image processing speed. Saving efficiency and quality of the neural network work TensorRT allows us to increase the processing speed using an optimization of the architecture and an optimization of calculations on a GPU.


2020 ◽  
Author(s):  
Janosch Menke ◽  
Oliver Koch

Molecular fingerprints are essential for different cheminformatics approaches like similarity-based virtual screening. In this work, the concept of neural (network) fingerprints in the context of similarity search is introduced in which the activation of the last hidden layer of a trained neural network represents the molecular fingerprint. The neural fingerprint performance of five different neural network architectures was analyzed and compared to the well-established Extended Connectivity Fingerprint (ECFP) and an autoencoder-based fingerprint. This is done using a published compound dataset with known bioactivity on 160 different kinase targets. We expect neural networks to combine information about the molecular space of<br>already known bioactive compounds together with the information on the molecular structure of the query and by doing so enrich the fingerprint. The results show that indeed neural fingerprints can greatly improve the performance of similarity searches. Most importantly, it could be shown that the neural fingerprint performs well even for kinase targets that were not included in the training. Surprisingly, while Graph Neural Networks (GNNs) are thought to offer an advantageous alternative, the best performing neural fingerprints were based on traditional fully connected layers using the ECFP4 as input. The best performing kinase-specific neural fingerprint will be provided for public use.


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