Biclustering Three-Dimensional Data Arrays With Plaid Models

Three-dimensional data arrays (collections of individual data matrices) are increasingly prevalent in modern data and pose unique challenges to pattern extraction and visualization. This article introduces a biclustering technique for exploration and pattern detection in such complex structured data. The proposed framework couples the popular plaid model together with tools from functional data analysis to guide the estimation of bicluster responses over the array. We present an efficient algorithm that first detects biclusters that exhibit strong deviations for some data matrices, and then estimates their responses over the entire data array. Altogether, the framework is useful to home in on and display underlying structure and its evolution over conditions/time. The methods are scalable to large datasets, and can accommodate a variety of dynamic patterns. The proposed techniques are illustrated on gene expression data and bilateral trade networks. Supplementary materials are available online.     

Modeling of the Temporally and Spatially Modulated Fourier Transform Imaging Spectrometer working in orbit

Temporally and Spatially Modulated Fourier Transform Imaging Spectrometer (TSMFTIS) is a new kind of imaging spectrometer and is applicable in remote sensing. Compared with Temporally Modulated Imaging Interferometer and Spatially Modulated Imaging Interferometer, it employs immovable parts and abandons slit. Based on the analysis of its physical theory, optical principle, data gathering and processing, the mathematical model of the TSMFTIS working in orbit is proposed in this paper. The model is comprised of different function blocks, such as fore-optics, interferometer and so on. For simulation, a big remote sensing image is utilized as ground scene, and a conversion which is similar to color mode conversion from RGB to Lab is made to produce artificial spectra of various ground objects. At last, a validation experiment is performed with real-world spectra of four pieces of colorful cloths by using a commercially available spectrometer.     

“元素化学实验”中的“异常”现象(一)--Mn元素化学实验中的“异常”现象及其探析

大一学生在“元素化学实验”教学过程中,对反应条件如温度、催化剂、酸度、浓度或试剂用量等因素的影响考虑不周,可能出现某些实验现象和预想的或理论分析的结果不一致的“异常”现象。本文就学生在Mn元素化学实验过程中遇到的一些“异常”现象进行分析和总结,借助生动直观的演示实验,引导学生探究“异常”现象产生的可能原因和直观认识反应条件对反应结果的影响,培养学生的观察、分析、判断、归纳、推理和解决实际问题的能力。     

聚变堆遥操作上层协同控制系统设计和测试

为了解决聚变堆遥操作维护上层控制系统普遍存在的软件功能模块过于集中、拓展性差、不具备中层运动规划能力等问题,设计了一种基于机器人操作系统(ROS)的上层协同控制系统。该系统采用分布式架构,基于市场成熟的开发平台进行设计,集成了中层运动规划与动力学虚拟仿真功能。通过“轴销抓取”的实验场景测试的结果表明：该系统满足设计需求,运行稳定。     

Application of Non-Destructive X-Ray Fluorescence Spectrometry to the Analysis of Suspended Matter in Sea Water

Abstract

In the framework of remote sensing studies concerning coastal transport of pollution in the Northern Adriatic Sea, a method has been developed for the quantitative determination of sulphur, iron, titanium, calcium, phosphorus, silicon, aluminium, magnesium in suspended matter of sea water.

The suspended material was collected by filtering on millipore membrane filters with pore width of 0.45 μ and directly analysed by X-ray spectroscopy. For calibration dried solution and particulate standard samples were used. Limits of sensitivity and precision of the method are reported.

Correlations between the concentration of these elements and the total suspended matter/chlorophyll are discussed.

The aim is to study the geochemical composition of particulate matter and its variations within the geographical site of the sea basin and the seasonal conditions. The approach is to consider aluminium and the other elements normalized on Al. On the basis of a matrix correlation analyses of some sets of data chosen in the restricted area for investigation, some hypothesis on superficial distribution of clay, carbonate, iron hydrous oxides and other mineral detrites, are taken into account. The results confirm the complex situation existing in the offshore area of the Venice lagoon from a geochemical point of view.

The suspended matter seem to be argillaceous in the Southern part of the investigated area and semi-argillaceous with hydrous oxides and carbonates in the Northern part which is influenced by the Piave river.     

Transiting the molecular potential energy surface along low energy pathways: The TRREAT algorithm

The Transition Rapidly exploring Random Eigenvector Assisted Tree (TRREAT) algorithm is introduced to perform searches along low curvature pathways on a potential energy surface (PES). The method combines local curvature information about the PES with an iterative Rapidly exploring Random Tree algorithm (LaValle, Computer Science Department, Iowa State University, 1998, TR98–11) that quickly searches high‐dimensional spaces for feasible pathways between local minima. Herein, the method is applied to identifying conformational changes of molecular systems using Cartesian coordinates while avoiding a priori definition of collective variables. We analyze the pathway identification problem for alanine dipeptide, cyclohexane and glycine using nonreactive and reactive forcefields. We show how TRREAT‐identified pathways can be used as valuable input guesses for double‐ended methods such as the Nudged Elastic Band when ascertaining transition state energies. This method can be utilized to improve/extend the reaction databases that lie at the core of automatic chemical reaction mechanism generator software currently developed to build kinetic models of chemical reactions. © 2013 Wiley Periodicals, Inc.     

自动化势能面搜索方法新进展

本文简要介绍了势能面搜索的两个主要问题,即过渡态搜索和全局势能面搜索,并针对这两个问题介绍了本研究组最近发展的3种方法,即限制最小化双子算法、偏置势函数辅助限制性最小化双子算法以及势能面随机行走方法．这3种方法均只需计算一阶梯度,能够用于快速自动化的搜索过渡态以及势能面．通过几个典型例子分别说明了3种方法的特点及优势．     

遥感相机中时间延时积分电荷耦合器件积分级数的最优选择

针对时间延时积分电荷耦合器件积分级数对成像质量的影响,提出了一种航天遥感相机中时间延时积分电荷耦合器件积分级数的最优选择方法.构造了典型成像系统的信噪比与积分级数关系模型和调制传递函数与卫星姿态角和积分级数的函数模型;以信噪比和调制传递函数的容许值为约束条件,推导出了任意条件下时间延时积分电荷耦合器件的可选积分级数区间并给出了最优的积分级数解,给出了对应的增益设置指导函数.运用仿真实验对该方法进行验证,并与传统方法进行比较,结果表明:该方法能够选取最优的积分级数,从而获得满足信噪比和调制传递函数指标的最佳成像质量;若该值不存在,依然能获取相对最佳的折中值和视觉效果;同时,本文成像效果优于传统方法.     

Signal Level Simulation Modeling for Antenna Array of Aperture Synthesis Radiometer Based on the Equivalent Complex Baseband Representations

This paper presents a signal-level simulation model for simulating the process that antenna array of Aperture Synthesis Radiometer (ASR) collecting thermal radiation and transforming thermal radiation signal into radio frequency (RF) signal. By using the equivalent complex baseband signals to represent the practical thermal radiation and RF signals, simulation efficiency is improved significantly. The statistic characteristics of simulation results are found to match the corresponding theoretical analysis well. Results of an imaging simulation experiment show that this model can be employed in ASR system-level simulator design.