基于数值计算模拟的仿真核磁共振波谱仪开发

核磁共振（NMR）波谱是研究有机分子结构的重要工具之一，其设备昂贵、仪器数量有限、科研机时安排紧凑、教学实验机时有限；若学生的NMR理论和实验基础较为薄弱，则易发生误操作损坏设备或降低设备性能；另外，NMR实验涉及流程较多、教学耗时较长.因此，针对学生的NMR实验教学难以广泛开展.为将虚拟技术更好地用于辅助NMR实验教学，本文基于数值模拟仿真技术，开发了具备真实NMR波谱仪基本功能的仿真NMR波谱仪——VMRS1.0软件.VMRS1.0软件可实现真实NMR实验须进行的调谐匹配、匀场、锁场、射频脉冲调节、原始数据采集等操作步骤，以及快速傅里叶变换、相位校正、自动寻峰、积分、测距、化学位移校正等基本数据处理功能；除简单的1D ¹H和¹³C NMR波谱采集和数据处理外，还可模拟去偶、DEPT、HSQC等相对复杂的实验；另外，该软件可自行虚拟编辑¹H或¹³C NMR实验样品.VMRS1.0软件摆脱硬件条件的限制，实现了与真实NMR实验类似的教学效果，可以让学生通过反复操作调试，更充分地掌握NMR基本原理和实验技能，再配合在真实NMR谱仪上的少量实际操作，可达到更加令人满意的实验教学效果.     

贯彻“三全育人”理念实现高素质化学创新人才培养

吉林大学化学学院建院(系)70年来,始终把立德树人作为人才培养的根本任务,坚持教育为人民服务、为中国共产党治国理政服务、为巩固和发展中国特色社会主义制度服务、为改革开放和社会主义现代化建设服务,不断提升化学专业人才培养水平。“三全育人”,核心是“育”,目标是 “才”,关键是“全”,其核心目标就是培养德才兼备、全面发展的社会主义建设人才。吉林大学化学学院始终坚持育人和育才相统一、“第一课堂”和“第二课堂”相融合、专业教师和思政教师相互协同的人才培养模式,赓续“又红又专”的红色血脉,强化、提升学生技能、科研素养和综合能力的同时,培养了一代又一代德才兼备、可堪大用的时代新人。     

基于XML的故障诊断虚拟训练描述模型研究

随着科学技术的迅猛发展,传统故障诊断训练存在的问题日益突出,越来越难以满足维修人员的故障诊断训练需求。提出了通过虚拟方式进行辅助训练,来提高维修人员的故障诊断能力和掌握故障诊断相关知识,满足故障诊断训练需求。为实现故障诊断虚拟训练,分析了故障诊断虚拟训练模型的描述要素和描述语言。运用诊断树分析方法,基于XML建立了故障诊断虚拟训练描述模型,为实现故障诊断虚拟训练提供模型支撑。最后,基于此模型对液压千斤顶回收不到位的故障进行了描述,验证了描述模型的正确性与实用性。     

信息与计算科学专业建设的探索与实践

探讨了信息与计算科学专业的专业建设与人才培养定位、人才培养体系的构建、教学方法的创新与实践、能力评价机制的完善等内容.     

基于改进BP算法的镁锂合金流变应力预测模型

通过一种镁锂合金在Gleeble3500热模拟机进行的热压缩实验数据进行训练,模型能较准确地预测该材料的流变应力,误差低于5%.改进算法避免了标准BP网络易陷入局部最小以及收敛速度慢的缺点,得到了更高的精度以及训练速度.预报模型准确度及可靠性高,具有工程应用价值.     

保障用户认证安全的判别最大熵语音识别机制

为了提高电子商务中用户认证的安全性,提出了一种高识别率的判别最大熵语音识别机制DME.该语音识别方法同时考虑语音与语言两方面的因素,并将语音和语言特征进行有效地结合,在统一的最大熵模型下,实现判别训练,确保观察样本能正确地分配到其对应状态,以提高所训练出的语音模型的正确识别率.详细的实验及与现有方法的比较结果表明,对不同环境下的语音数据,提出的语音识别方法具有更好的识别性能,对提高电子商务中用户认证系统的安全性能具有理论与实际意义.     

A new uniform mapping algorithm for sample selection

A new algorithm for sample selection in the field of experimental design is presented. This method was designed for a multivariate data set of samples where the variables' levels are pre‐determined by the system instead of being determined by the practitioner and especially appropriate for non‐symmetrical multivariable space. Symmetrical experimental designs are not applicable in either of the cases. Anyway, this method is also applicable to symmetrical designs. Several tests have been made for symmetrical and non‐symmetrical cases and also about an already treated real case, comparing the new algorithm with others previously known in literature. Its performance has been checked considering several evaluation quality criteria like D‐optimal, A‐optimal, G‐optimal and models error prediction. Copyright © 2008 John Wiley & Sons, Ltd.     

A co‐training algorithm for multi‐view data with applications in data fusion

In several scientific applications, data are generated from two or more diverse sources (views) with the goal of predicting an outcome of interest. Often it is the case that the outcome is not associated with any single view. However, the synergy of all measurements from each view may yield a more predictive classifier. For example, consider a drug discovery application in which individual molecules are described partially by several assay screens based on diverse profiles and partially by their chemical structural fingerprints. A common classification problem is to determine whether the molecule is associated with a particular disease. In this paper, a co‐training algorithm is developed to utilize data from diverse sources to predict the common class variable. Novel enhancements for variable importance, robustness to a mislabeled class variable, and a technique to handle unbalanced classes are applied to the motivating data set, highlighting that the approach attains strong performance and provides useful diagnostics for data analytic purposes. In addition, comparisons to a framework with data fusion using partial least squares (PLS) are also assessed on real data. An R package for performing the proposed approach is provided as Supporting information. Copyright © 2003 John Wiley & Sons, Ltd.     

Radiation safety training for industrial irradiators: What are we trying to accomplish?

Radiation safety training at an industrial irradiator facility takes a different approach than the traditional methods and topics used at other facilities. Where the more routine industrial radiation users focus on standard training topics of contamination control, area surveys, and the traditional dogma of time, distance, and shielding, radiation safety in an industrial irradiation facility must be centered on preventing accidents. Because the primary methods for accomplishing that goal are engineering approaches such as safety system interlocks, training provided to facility personnel should address system operation and emergency actions. This presents challenges in delivering radiation safety to an audience of varied educational and technical background where little to no commercially available training material specific to this type of operation exists.     

“创青春”创新创业实训项目:基于1,4,5,8-萘四甲酸的绿色合成及产业化构思*

为推动大学生创新创业活动深入开展,引导大学生在创新创业中知识的实操运用及综合素养的提升,推出“创青春”辽宁省大学生创新创业项目。以1,4,5,8-萘四甲酸的绿色合成及产业化构思为载体,进行大学生的“创青春”创新创业实训;通过创新创业实训实验的开展,培养大学生的创新、创意、创造、创业的意识,提升其专业能力、实践能力及岗位立业、合作创业、自主创业的能力。