Exploring artificial neural networks to model interatomic and intermolecular potential energy surfaces

We demonstrate how a back-propagation artificial neural network can be trained to represent a potential energy surface (PES) in a formless manner with limited data points and exploited to predict interaction energies for configurations not included in the training set. A similar exercise is undertaken for predicting the eigenvalues and eigenvectors of a model Hamiltonian matrix that delicately depends on parameters and exhibits crossing of eigen values.     

An unfeasibility view of neural network learning

We define the notion of a continuously differentiable perfect learning algorithm for multilayer neural network architectures and show that such algorithms do not exist provided that the length of the data set exceeds the number of involved parameters and the activation functions are logistic, tanh or sin.     

An Electrocardiogram Signal Classification Algorithm Based on Improved Deep Residual Shrinkage Networks北大核心CSCD

心电信号分类是医疗保健领域的重要研究内容.针对大多数方法不能很好地降低样本数量少的类别漏诊率,以及降低预处理操作的复杂性问题,提出了一种基于改进深度残差收缩网络(IDRSN)的心电信号分类算法(即DRSL算法).首先,使用合成少数类过采样技术(SMOTE)扩充数量少的类别样本,从而解决了类不平衡问题;其次,利用改进深度残差收缩网络提取空间特征,其残差模块可以避免网络层加深造成的过拟合,压缩激励和软阈值化子网络可以提取重要局部特征并自动去除噪声;然后,通过长短期记忆网络(LSTM)提取时间特征;最后,利用全连接网络输出分类结果.在MIT-BIH心律失常数据集上的实验结果表明,该算法的分类性能优于IDRSN、DRSN、GAN+2DCNN、CNN+LSTM_ATTENTION、SE-CNN-LSTM分类算法.     

A Bayesian record linkage model incorporating relational data

In this article, we introduce a novel Bayesian approach for linking multiple social networks in order to discover the same real world person having different accounts across networks. In particular, we develop a latent model that allows us to jointly characterize the network and linkage structures relying on both relational and profile data. In contrast to other existing approaches in the machine learning literature, our Bayesian implementation naturally provides uncertainty quantification via posterior probabilities for the linkage structure itself or any function of it. Our findings clearly suggest that our methodology can produce accurate point estimates of the linkage structure even in the absence of profile information, and also, in an identity resolution setting, our results confirm that including relational data into the matching process improves the linkage accuracy. We illustrate our methodology using real data from popular social networks such as Twitter , Facebook , and YouTube .     

A deep neural network-based method for solving obstacle problems

In this paper, we propose a method based on deep neural networks to solve obstacle problems. By introducing penalty terms, we reformulate the obstacle problem as a minimization optimization problem and utilize a deep neural network to approximate its solution. The convergence analysis is established by decomposing the error into three parts: approximation error, statistical error and optimization error. The approximate error is bounded by the depth and width of the network, the statistical error is estimated by the number of samples, and the optimization error is reflected in the empirical loss term. Due to its unsupervised and meshless advantages, the proposed method has wide applicability. Numerical experiments illustrate the effectiveness and robustness of the proposed method and verify the theoretical proof.     

Multilevel-in-width training for deep neural network regression

A common challenge in regression is that for many problems, the degrees of freedom required for a high-quality solution also allows for overfitting. Regularization is a class of strategies that seek to restrict the range of possible solutions so as to discourage overfitting while still enabling good solutions, and different regularization strategies impose different types of restrictions. In this paper, we present a multilevel regularization strategy that constructs and trains a hierarchy of neural networks, each of which has layers that are wider versions of the previous network's layers. We draw intuition and techniques from the field of Algebraic Multigrid (AMG), traditionally used for solving linear and nonlinear systems of equations, and specifically adapt the Full Approximation Scheme (FAS) for nonlinear systems of equations to the problem of deep learning. Training through V-cycles then encourage the neural networks to build a hierarchical understanding of the problem. We refer to this approach as multilevel-in-width to distinguish from prior multilevel works which hierarchically alter the depth of neural networks. The resulting approach is a highly flexible framework that can be applied to a variety of layer types, which we demonstrate with both fully connected and convolutional layers. We experimentally show with PDE regression problems that our multilevel training approach is an effective regularizer, improving the generalize performance of the neural networks studied.     

双重网络嵌入对公司IPO后市场表现的影响研究

将社会网络嵌入理论从单一网络拓展至双重网络,分析上市公司同时嵌入风险投资网络和承销商网络对公司IPO上市后市场表现的影响。利用2004～2017年有风险投资支持的IPO公司数据,实证检验结果表明：(1)单独嵌入风险投资网络中心位置、单独嵌入承销商网络中心位置,均会提高公司IPO后市场表现;(2)同时嵌入风险投资网络中心位置和承销商网络中心位置,对公司IPO后短期市场表现的正向影响会相互替代;(3)同时嵌入风险投资网络中心位置和承销商网络中心位置,对公司IPO后长期市场表现的正向影响会互相补充。     

Stochastic stabilization of hybrid neural networks by periodically intermittent control based on discrete-time state observations

This paper is concerned with stabilization of hybrid neural networks by intermittent control based on continuous or discrete-time state observations. By means of exponential martingale inequality and the ergodic property of the Markov chain, we establish a sufficient stability criterion on hybrid neural networks by intermittent control based on continuous-time state observations. Meantime, by M-matrix theory and comparison method, we show that hybrid neural networks can be stabilized by intermittent control based on discrete-time state observations. Finally, two examples are presented to illustrate our theory.     

基于声发射和GAN-CNN的铝合金管道法兰 连接松动泄漏检测*

面向管道法兰连接松动引起的泄漏检测需求,为解决数据样本不足和减少特征指标手动选取的繁琐环节。本文,考虑到生成性对抗网络（GAN）作为数据扩充工具,已被证明能够生成与真实数据相似的样本数据。同时,卷积神经网络（CNN）作为一种深度学习方法,为自动提取数据的特征提供了一种有效的方法。开展了基于GAN和CNN的铝合金管道法兰连接松动泄漏检测研究。首先,搭建管道泄漏标定和数据采集实验台,利用声发射技术获取不同等级的原始泄漏信号。其次,采用GAN生成样本数据扩充原始数据。同时,为了评估生成模型的性能,引入统计特评估生成质量。最后,将生成的样本数据与原始数据设置为不同训练集,基于卷积神经网络构建智能分类检测模型,应用于管道泄漏检测。同时,分类检测结果与小样本智能分类方法SVM进行了比较,实验结果表明,基于GAN和CNN构建的智能分类模型可显著提高管道法兰连接松动泄漏检测精度。     

改进的Faster-RCNN算法在聚乙烯管接头内部缺陷检测中的应用

超声相控阵技术是目前聚乙烯管道热熔接头内部缺陷检测的一种主流方法。提出了基于注意力机制的改进Faster-RCNN目标检测网络用于超声相控阵D扫图聚乙烯管接头内部缺陷检测。针对聚乙烯管道热熔接头内部超声相控阵D扫图小缺陷较多、特征信息容易丢失的问题,将残差网络(ResNet50)与特征金字塔网络(FPN)相结合作为骨干网络,并引入卷积注意力模块(CBAM)自适应细化特征。将SSD网络框架和Faster-RCNN网络框架用于模型训练和测试,使用VGG16、ResNet50、ResNet50+FPN、ACBM+ResNet50+FPN作为骨干网络依次对超声相控阵聚乙烯管道热熔对接接头内部缺陷样本进行训练对比。结果表明,改进的Faster-RCNN网络模型在聚乙烯管接头内部缺陷检测和分类方面有明显改进,对小缺陷的检测性能有了显著的提高。