取代酚对日本长腿蛙蝌蚪急性毒性的QSAR研究

用Hartree-Fock(HF)和DFT-B3LYP方法,分别在较高基组6-31G**和6.311G**水平下,全优化计算了21种取代酚化合物.从中获得分予最高占用和最低空轨道能(EHOMO和ELUMO)、前线轨道能级差(△E＝EHOMO-ELUMO)、分子总能量(ET)、氧原了所带的最高正电荷(QH+)、最负原子的静电荷(Q-)、分子偶极矩(μ)和分子体积(V)等描述符.结合文献中标题化合物对日本长腿蛙蝌蚪的毒性值(-logLC50)和辛醇/水分配系数(logKow),由线性同归方法成功建立包含10gKow、ELUMO和Q-的三参数QSAR模型.其中,模型(5)的复相关系数R2=0.944 8,交叉验证系数Q2=0.920 5,标准偏差SE=0.187,Fisher检验值F=98.390,故其预测能力较好.由此推断,标题物对日本长腿蛙蝌蚪的毒性作用分为2步,首先穿过细胞壁在细胞内富集,以logKow和Q-描述;其次与亲核试剂发生亲电反应,以风ELUMO表示.     

Real-time foveation filtering using nonlinear Mipmap interpolation

In recent years, several techniques have been proposed to simulate the gaze effect of the Human Visual System (HVS). It is believed that this effect is due to the foveation filtering. Current techniques to simulate the foveation filtering in computer graphics are either slow or suffer from artifacts and limitations. In this paper, we present a new approach of foveation filtering based on the Mipmap Pyramid of the current view by considering the relationship between the Gaussian kernel and Mipmap level. Due to the nonlinear Mipmap interpolation under the Bilateral Filtering scheme, we are able to simulate the foveation filtering more naturally and efficiently than in previous work. Moreover, a detail enhancement method based on the Cornsweet illusion is proposed to augment the gazing effect. We demonstrate our new approach with a variety of examples and provide comparisons with recent approaches.     

Will the experience of playing a violent role in a video game influence people’s judgments of violent crimes?

The present study investigates the impact of the experience of role playing a violent character in a video game on attitudes towards violent crimes and criminals. People who played the violent game were found to be more acceptable of crimes and criminals compared to people who did not play the violent game. More importantly, interaction effects were found such that people were more acceptable of crimes and criminals outside the game if the criminals were matched with the role they played in the game and the criminal actions were similar to the activities they perpetrated during the game. The results indicate that people’s virtual experience through role-playing games can influence their attitudes and judgments of similar real-life crimes, especially if the crimes are similar to what they conducted while playing games. Theoretical and practical implications are discussed.     

基于改进傅里叶描绘子的CBIR系统

在现有的基于傅里叶描绘子的CBIR系统中,为了提高检索速度,一般需要舍去物体轮廓经傅里叶变换后的大部分高频分量.当物体轮廓在细节部分具有较高能量时,此方法不具备有效性.为尽可能保证检索准确率并兼顾检索速度,在原有傅里叶描绘子上进行扩展,避免直接舍去高频分量,引入Fisher判别分析法将描绘子映射到子空间进行降维,并保证...     

Damage assessment and repair in attack resilient distributed database systems

Preventive measures sometimes fail to defect malicious attacks. With attacks on data-intensive applications becoming an ever more serious threat, intrusion tolerant database systems are a significant concern. The main objective of such systems is to detect attacks, and to assess and repair the damage in a timely manner. This paper focuses on efficient damage assessment and repair in distributed database systems. The complexity caused by data partition, distributed transaction processing, and failures makes intrusion recovery much more challenging than in centralized database systems. This paper identifies the key challenges and presents an efficient algorithm for distributed damage assessment and repair.     

Several multi-criteria programming methods for classification

In this paper, we propose a general optimization-based model for classification. Then we show that some well-known optimization-based methods for classification, which were developed by Shi et al. [Data mining in credit card portfolio management: a multiple criteria decision making approac. In: Koksalan M, Zionts S, editors. Multiple criteria decision making in the new millennium. Berlin: Springer; 2001. p. 427–36] and Freed and Glover [A linear programming approach to the discriminant problem. Decision Sciences 1981; 12: 68–79; Simple but powerful goal programming models for discriminant problems. European Journal of Operational Research 1981; 7: 44–60], are special cases of our model. Moreover, three new models, MCQP (multi-criteria indefinite quadratic programming), MCCQP (multi-criteria concave quadratic programming) and MCVQP (multi-criteria convex programming), are developed based on the general model. We also propose algorithms for MCQP and MCCQP, respectively. Then we apply these models to three real-life problems: credit card accounts, VIP mail-box and social endowment insurance classification. Extensive experiments are done to compare the efficiency of these methods.