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.     

智融标识网络基础研究

现有互联网因其原始设计不足已在服务质量、资源利用率、管控能力等诸多方面暴露出严重弊端，难以支撑起"互联网+"新业态高速发展对通信网络与服务日趋复杂化、多元化的需求.因此，如何设计全新的互联网已成为信息领域最为迫切与核心的研究内容之一，受到学术界与产业界的高度重视.本文基于前期"标识网络"与"智慧标识网络"研究，创造性提出"智融标识网络"体系及其关键机制，通过全网多空间、多维度资源的智慧融合，实现个性化服务的按需供给与灵活化组网的有效支撑，为不同行业与用户提供高效的差异化、定制化通信网络服务，以普遍适用于高铁网络、工业互联网、车联网等各类迥异应用情景.     

Microstructured Fischer‐Tropsch Reactor Scale‐up and Opportunities for Decentralized Application

Current projects focusing on the energy transition in traffic will rely on a high‐level technology mix for their commissioning. One of those technologies is the Fischer‐Tropsch synthesis (FTS) that converts synthesis gas into hydrocarbons of different chain lengths. A microstructured packed‐bed reactor for low‐temperature FTS is tested towards its versatility for biomass‐based syngas with a high inert gas dilution. Investigations include overall productivity, conversion, and product selectivity. A 60‐times larger pilot‐scale reactor is further tested. Evaporation cooling is introduced which allows to increase the available energy extraction from the system. From that scale on, an autothermal operation at elevated conversion levels is applicable.     

爆炸防控技术在爆破工程警务规划和技术评估中应用

通过介绍爆炸防控技术概念的内涵和外延,说明了爆破工程警务规划设计和技术评估的目的,就是有效防止或遏制涉爆事故,维护社会公共安全。在对一项复杂环境下的基础开挖爆破工程实施警务规划设计和技术评估时,警务技术民警对照爆破作业设计施工单位技术方案中的参数,现场核实需要保护的建筑和重要设施,准确测量保护目标与爆区的实际距离,分析是否存在影响爆破工程实施的不稳定因素,确认上述参数符合安全要求后做出准予爆破许可的建议。爆破工程警务规划设计和技术评估的要点就是要通过现场核查,核实爆破有害效应是否可控,能否确保爆破施工时周边保护目标的安全。     

TSL:predicting popularity of Facebook content based on tie strength

The rapid development of online social networks leads to an explosion of information,however,there are great differences in the popularity of different messages,and accurate prediction is always a great difficulty is the current study.Popularity prediction of online content aims to predict the popularity in the future based on its early diffusion status.Existing models for popularity prediction were mostly based on discovering network features or fitting the equation into a varying time function that the accuracy of current popularity prediction model was not high enough.Therefore,with the help of the weak ties theory in sociology,the concept of tie strength was introduced and a multilinear regression equation was constructed combined with the early popularity.A TSL model to predict the popularity of Facebook’s well-known pages was proposed.The main contribution of this article was to solve the problem and few or no work based on sociology.A high linear correlation between the proportion of faithful fans was existed in Facebook homepage with frequent shares in the early and the future popularity.Compared with other baseline models,an experimental study of Facebook (including 1.54 million shares) illustrates the effectiveness of the proposed TSL model,and the performance is better than the existing similar methods.     

基于深度学习的文本自动摘要方案

针对自然语言处理（NLP）生成式自动摘要领域的语义理解不充分、摘要语句不通顺和摘要准确度不够高的问题，提出了一种新的生成式自动摘要解决方案，包括一种改进的词向量生成技术和一个生成式自动摘要模型。改进的词向量生成技术以Skip-Gram方法生成的词向量为基础，结合摘要的特点，引入词性、词频和逆文本频率三个词特征，有效地提高了词语的理解；而提出的Bi-MulRnn+生成式自动摘要模型以序列映射（seq2seq）与自编码器结构为基础，引入注意力机制、门控循环单元（GRU）结构、双向循环神经网络（BiRnn）、多层循环神经网络（MultiRnn）和集束搜索，提高了生成式摘要准确性与语句流畅度。基于大规模中文短文本摘要（LCSTS）数据集的实验结果表明，该方案能够有效地解决短文本生成式摘要问题，并在Rouge标准评价体系中表现良好，提高了摘要准确性与语句流畅度。     

Revamping SiO2 Spheres by Core–Shell Porosity Endowment to Construct a Mazelike Nanoreactor for Enhanced Catalysis in CO2 Hydrogenation to Methanol

Beyond the catalytic activity of nanocatalysts, the support with architectural design and explicit boundary could also promote the overall performance through improving the diffusion process, highlighting additional support for the morphology-dependent activity. To delineate this, herein, a novel mazelike-reactor framework, namely multi-voids mesoporous silica sphere (MVmSiO₂), is carved through a top-down approach by endowing core-shell porosity premade Stöber SiO₂ spheres. The precisely-engineered MVmSiO₂ with peripheral one-dimensional pores in the shell and interconnecting compartmented voids in the core region is simulated to prove combined hierarchical and structural superiority over its analogous counterparts. Supported with CuZn-based alloys, mazelike MVmSiO₂ nanoreactor experimentally demonstrated its expected workability in model gas-phase CO₂ hydrogenation reaction where enhanced CO₂ activity, good methanol yield, and more importantly, a prolonged stable performance are realized. While tuning the nanoreactor composition besides morphology optimization could further increase the catalytic performance, it is accentuated that the morphological architecture of support further boosts the reaction performance apart from comprehensive compositional optimization. In addition to the found morphological restraints and size-confinement effects imposed by MVmSiO₂, active sites of catalysts are also investigated by exploring the size difference of the confined CuZn alloy nanoparticles in CO₂ hydrogenation employing both in-situ experimental characterizations and density functional theory calculations.