A novel adaptive sampling based methodology for feasible region identification of compute intensive models using artificial neural network

Identification of feasible region of operations in multivariate processes is a problem of interest in several fields. This is particularly challenging when the process model is black-box in nature and/or is computationally expensive, as analytical solutions are not available and the number of possible model evaluations is limited. An efficient methodology is required to identify samples where the model is evaluated for developing a computationally efficient surrogate model. In this work, an artificial neural network based surrogate model is proposed which is integrated with a statistical-based approach (Jack-knifing) to estimate the variance of the surrogate model prediction. This allows implementation of an adaptive sampling approach where new samples are identified close to the feasible region boundary or in regions of high prediction uncertainty. The proposed approach performs better than a previously published kriging based method for different dimensionality case studies.     

Hybridization Networks of mRNA and Branched RNA Hybrids

Messenger RNA (mRNA) is emerging as an attractive biopolymer for therapy and vaccination. To become suitable for vaccination, mRNA is usually converted to a biomaterial, using cationic peptides, polymers or lipids. An alternative form of converting mRNA into a material is demonstrated that uses branched oligoribonucleotide hybrids with the ability to hybridize with one or more regions of the mRNA sequence. Two such hybrids with hexamer arms and adamantane tetraol as branching element were prepared by solution-phase synthesis. When a rabies mRNA was treated with the branched hybrids at 1 M NaCl concentration, biomaterials formed that contained both of the nucleic acids. These results show that branched oligoribonucleotides are an alternative to the often toxic reagents commonly used to formulate mRNA for medical applications.     

Transmission line detection in aerial images: An instance segmentation approach based on multitask neural networks

Camera-based transmission line detection (TLD) is a fundamental and crucial task for automatically patrolling powerlines by aircraft. Motivated by instance segmentation, a TLD algorithm is proposed in this paper with a novel deep neural network, i.e., CableNet. The network structure is designed based on fully convolutional networks (FCNs) with two major improvements, considering the specific appearance characteristics of transmission lines. First, overlaying dilated convolutional layers and spatial convolutional layers are configured to better represent continuous long and thin cable shapes. Second, two branches of outputs are arranged to generate multidimensional feature maps for instance segmentation. Thus, cable pixels can be detected and assigned cable IDs simultaneously. Multiple experiments are conducted on aerial images, and the results show that the proposed algorithm obtains reliable detection performance and is superior to traditional TLD methods. Meanwhile, segmented pixels can be accurately identified as cable instances, contributing to line fitting for further applications.     

基于K-means和SOM的水下传感器数据采集方法

随着海洋资源勘探和海洋污染物监控工作的开展，水文数据的监测和采集等已经成为重要的研究方向。其中，水下无线传感器网络在水文数据采集过程中起着举足轻重的作用。本文研究的是水下无线传感器二维监测网络模型中，传感器节点数据采集的问题，其设计方法是通过自组织映射（Self-organizing mapping，SOM）对传感器节点进行路径最优化处理，结合优化的路径图形和K-means算法找到路径内部聚合点，利用聚合点和传感器的节点得到传感器通信半径内的数据采集点，最后通过SOM得到水下机器人（Autonomous underwater vehicle，AUV）到各个数据采集点采集数据的最优路径。经过实验验证，在水下1 200 m×1 750 m范围内布置52个传感器节点的情景下，数据采集点相比于传感器节点路径规划采用相同的采集顺序得到的路径优化了6.7%；对数据采集点重新进行自组织路径规划得到的路径比传感器结点路径的最优解提高了12.2%。增加传感器节点的数量，其结果也大致相同，因此采用该方法可以提高水下机器人采集数据的效率。     

Passive target detection and tracking from electromagnetic field measurements

This paper presents a novel approach to the localization of moving targets in a complex environment based on the measurement of the perturbations induced by the target presence on an independently‐generated time‐varying electromagnetic field. Field perturbations are measured via a set of sensors deployed over the domain of interest and used to detect and track a possible target by resorting to a particle Bernoulli filter (PBF). To comply with real‐time operation, the PBF works along with an artificial neural network (ANN) model of the environment trained offline via finite elements (FEs). The performance of the proposed algorithm is assessed via simulation experiments.     

基于改进CGANs的入侵检测方法研究

近年来,机器学习算法在入侵检测系统(IDS)中的应用获得越来越多的关注。然而,传统的机器学习算法更多的依赖于已知样本,因此需要尽可能多的数据样本来对模型进行训练。遗憾地是,随着越来越多未知攻击的出现,且用于训练的攻击样本具有不平衡性,传统的机器学习模型会遇到瓶颈。文章提出一种将改进后的条件生成对抗网络(CGANs)与深度神经网络(DNN)相结合的入侵检测模型(CGANs-DNN),通过解决样本不平衡性问题来提高检测模型对未知攻击类型或只有少数攻击样本类型的检测率。深度神经网络(DNN)具有表征数据潜在特征的能力,而经过改进后的条件CGANs,能够通过学习已知攻击样本潜在数据特征分布,来根据指定类型生成新的攻击样本。此外,与生成对抗网络(GANs)和变分自编码器(VAE)等无监督生成模型相比,CGANsDNN经过改进后加入梯度惩罚项,在训练的稳定性上有了很大地提升。通过NSL-KDD数据集对模型进行评估,与传统算法相比CGANs-DNN不仅在整体准确率、召回率和误报率等方面有更好的性能,而且对未知攻击和只有少数样本的攻击类型具有较高的检测率。     

Learning bipartite Bayesian networks under monotonicity restrictions

ABSTRACT

Learning parameters of a probabilistic model is a necessary step in machine learning tasks. We present a method to improve learning from small datasets by using monotonicity conditions. Monotonicity simplifies the learning and it is often required by users. We present an algorithm for Bayesian Networks parameter learning. The algorithm and monotonicity conditions are described, and it is shown that with the monotonicity conditions we can better fit underlying data. Our algorithm is tested on artificial and empiric datasets. We use different methods satisfying monotonicity conditions: the proposed gradient descent, isotonic regression EM, and non-linear optimization. We also provide results of unrestricted EM and gradient descent methods. Learned models are compared with respect to their ability to fit data in terms of log-likelihood and their fit of parameters of the generating model. Our proposed method outperforms other methods for small sets, and provides better or comparable results for larger sets.     

神经网络全局势函数在多相催化中的应用

当今的多相催化研究需要新的技术和方法从原子尺度上表征活性中心结构和反应中间体。本文作者课题组近期开发了理论模拟新技术来探索催化剂活性位点结构，即基于神经网络势函数的大规模原子模拟（LASP）软件中实现的全局神经网络势函数计算方法。本文介绍了该方法可以显著降低催化体系的计算代价，而维持与密度泛函理论同一级别的计算精度，从而解决多相催化中的许多复杂问题。本文对神经网络势函数方法的实现细节和目前已实现的应用场景进行了详细介绍。神经网络势函数可以用来预测材料晶体结构，理解高压氢化条件下TiO₂表面的结构演化和确定三元氧化物ZnCrO晶相中合成气制甲醇活性位点。最后文章分析了神经网络势函数的局限性和今后可能的三个研究方向，即材料性质预测、多元素体系神经网络势函数构造和化学反应拟合。     

3D Microstructures of Liquid Crystal Networks with Programmed Voxelated Director Fields

The shape-shifting behavior of liquid crystal networks (LCNs) and elastomers (LCEs) is a result of an interplay between their initial geometrical shape and their molecular alignment. For years, reliance on either one-step in situ or two-step film processing techniques has limited the shape-change transformations from 2D to 3D geometries. The combination of various fabrication techniques, alignment methods, and chemical formulations developed in recent years has introduced new opportunities to achieve 3D-to-3D shape-transformations in large scales, albeit the precise control of local molecular alignment in microscale 3D constructs remains a challenge. Here, the voxel-by-voxel encoding of nematic alignment in 3D microstructures of LCNs produced by two-photon polymerization using high-resolution topographical features is demonstrated. 3D LCN microstructures (suspended films, coils, and rings) with designable 2D and 3D director fields with a resolution of 5 µm are achieved. Different shape transformations of LCN microstructures with the same geometry but dissimilar molecular alignments upon actuation are elicited. This strategy offers higher freedom in the shape-change programming of 3D LCN microstructures and expands their applicability in emerging technologies, such as small-scale soft robots and devices and responsive surfaces.     

A benchmark data set for two-phase Coriolis metering

For more than a decade there has been growing interest in the use of Coriolis mass flow metering applied to two-phase (gas/liquid) and multiphase (oil/water/gas) conditions. It is well-established that the mass flow and density measurements generated from multiphase flows are subject to large errors, and a variety of physical models and correction techniques have been proposed to explain and/or to compensate for these errors. One difficulty is the absence of a common basis for comparing correction techniques, because different flowtube designs and configurations, as well as liquid and gas properties, may result in quite different error curves. Furthermore, some researchers with interests in the modelling aspects of the field may not have suitable multiphase laboratory facilities to generate their own data sets. This paper offers a small data set that may be used by researchers as a benchmark i.e. a common data set for comparing correction techniques. The data set was collected at the UK National Flow Laboratory TUV-NEL, using air and a viscous oil, and provides experimental points over a wide flow range (8:1 turndown) and with Gas Volume Fraction (GVF) values up to 60%. As a first investigation using the benchmark data set, we consider how data sparsity (i.e. the flow rate and GVF spacing in the experimental grid) affects the accuracy of a correction model. A range of neural network models are evaluated, based on different subsets of the benchmark data set. The data set and some exemplary code are provided with the paper. Additional data sets are available on a web site created to support this initiative.