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基于SVR和k-近邻群的组合预测在QSAR中的应用 被引量:4
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作者 袁哲明 熊洁仪 张永生 《分子科学学报》 CAS CSCD 2007年第3期163-169,共7页
为提高定量构效关系(QSAR)研究的预测精度,发展了一种新的基于支持向量机回归(SVR)非线性筛选分子结构描述符、基于k-近邻群的非线性组合预测方法.首先以均方误差(MSE)最小为原则,以留一法通过多轮末尾淘汰实施分子结构描述符的非线性SV... 为提高定量构效关系(QSAR)研究的预测精度,发展了一种新的基于支持向量机回归(SVR)非线性筛选分子结构描述符、基于k-近邻群的非线性组合预测方法.首先以均方误差(MSE)最小为原则,以留一法通过多轮末尾淘汰实施分子结构描述符的非线性SVR汰选并给出最优核函数和相应保留描述符;其次基于待测样本与训练样本保留描述符向量的欧氏距离,以不同k-近邻群子模型双重留一法预测值反映样本集的异质性;然后基于MSE最小,以留一法通过多轮末尾淘汰实施近邻群子模型的非线性SVR汰选并给出最优核函数和相应保留子模型;最后基于保留子模型以双重留一法实施组合预测.以取代苯胺和苯酚类化合物对大型溞的QSAR实例验证表明:新方法在所有参比模型中预测精度最高,且能更精细地反映描述符与化合物毒性间的非线性关系,具结构风险最小、非线性、适于小样本,能有效克服过拟合、维数灾和局极小,非线性筛选描述符和子模型,非线性组合预测,自动选择最优核函数及其相应参数,泛化推广能力优异、预测精度高等诸多优点,在QSAR研究中有广泛应用前景. 展开更多
关键词 支持向量机回归 定量构效关系 均方误差 非线性 -近邻群 组合预测
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Late Cenozoic Tectonic Deformation in the Dongsha Islands and Adjacent Sea Area 被引量:6
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作者 吴时国 刘展 +3 位作者 王万银 郭军华 T.Lüdmann H.K.Wong 《Chinese Journal of Oceanology and Limnology》 SCIE CAS CSCD 2003年第4期377-388,共12页
Dongsha Island and the adjacent sea area locate at the northern continental margin of the South China Sea (SCS), and is connected to the east by the Manila Trench. Analyses of seismic stratigraphy and gravity, magneti... Dongsha Island and the adjacent sea area locate at the northern continental margin of the South China Sea (SCS), and is connected to the east by the Manila Trench. Analyses of seismic stratigraphy and gravity, magnetic and drilling wells data led to the discovery of three post fault sequences (V, VI, VII). Extensive tectonic uplift, magma activity and erosion occurred in Dongsha Island and the adjacent area, where most of the faults in the northeastern SCS were still active during Pliocene and Quaternary. Two groups of faults trending NEE and NW were developed during Late Cenozoic. We conclude that three important tectonic movements, especially Dongsha movement (4.4-5.2 Ma) and Liuhua movement (1.4-1.89 Ma), controlled the structural framework in the Dongsha rise; whose deformation in the east is stronger than that in the west and whose stress field variation suggests that the tectonic uplift in the study area contributed to magmato tectonic events correlated to the main collision phases between the East China and Taiwan 5-3 and 3-0 Ma ago. 展开更多
关键词 Late Cenozoic tectonic movement seismic stratigraphy plate collision South China Sea
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Consensus of Flocks under M-Nearest-Neighbor Rules 被引量:1
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作者 CHEN Chen CHEN Ge GUO Lei 《Journal of Systems Science & Complexity》 SCIE EI CSCD 2015年第1期1-15,共15页
This paper investigates a class of flocks with an M-nearest-neighbor rule,where each agent's neighbors are determined according to M nearest agents with M being a given integer,rather than all the agents within a ... This paper investigates a class of flocks with an M-nearest-neighbor rule,where each agent's neighbors are determined according to M nearest agents with M being a given integer,rather than all the agents within a fixed metric distance as in the well-known Vicsek's model.Such a neighbor rule has been validated by biologists through experiments and the authors will prove that,similar to the Vicsek's model,such a new neighbor rule can also achieve consensus under some conditions imposed only on the system's speed and the number M,n,without resorting to any priori connectivity assumptions on the trajectory of the system.In particular,the authors will prove that if the number M is proportional to the population size n,then for any speed v,the system will achieve consensus with large probability if the population size is large enough. 展开更多
关键词 CONSENSUS multi-agent systems M-nearest neighbor random geometric graph topological distance.
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