Weighted Ensembles in Model-based Global Optimization

被引:5
|
作者
Friese, Martina [1 ]
Bartz-Beielstein, Thomas [1 ]
Back, Thomas [2 ]
Naujoks, Boris [1 ]
Emmerich, Michael [2 ]
机构
[1] TH Koln, SPOTSeven Lab, Steinmulleralle 1, D-51643 Gummersbach, Germany
[2] Leiden Univ, LIACS, Niels Bohrweg 1, NL-2333CA Leiden, Netherlands
基金
欧盟地平线“2020”;
关键词
D O I
10.1063/1.5089970
中图分类号
O59 [应用物理学];
学科分类号
摘要
It is a common technique in global optimization with expensive black-box functions, to learn a regression model (or surrogate-model) of the response function from past evaluations and to use this model to decide on the location of future evaluations. In surrogate model assisted optimization it can be difficult to select the right modeling technique. Without preliminary knowledge about the function it might be beneficial if the algorithm trains as many different surrogate models as possible and selects the model with the smallest training error. This is known as model selection. Recently a generalization of this approach was proposed: instead of selecting a single model we propose to use optimal convex combinations of model predictions. This approach, called model mixtures, is adopted and evaluated in the context of sequential parameter optimization. Besides discussing the general strategy, the optimal frequency of learning the convex weights is investigated. The feasibility of this approach is examined and its benefits are compared to simpler methods.
引用
收藏
页数:4
相关论文
共 50 条
  • [1] Optimally Weighted Ensembles in Model-Based Regression for Drug Discovery
    Echtenbruck, Patrick
    Emmerich, Michael
    Echtenbruck, Martina
    Naujoks, Boris
    2021 IEEE CONGRESS ON EVOLUTIONARY COMPUTATION (CEC 2021), 2021, : 2251 - 2258
  • [2] Interactive model-based search for global optimization
    Wang, Yuting
    Garcia, Alfredo
    JOURNAL OF GLOBAL OPTIMIZATION, 2015, 61 (03) : 479 - 495
  • [3] Interactive model-based search for global optimization
    Yuting Wang
    Alfredo Garcia
    Journal of Global Optimization, 2015, 61 : 479 - 495
  • [4] Model-based methods for continuous and discrete global optimization
    Bartz-Beielstein, Thomas
    Zaefferer, Martin
    APPLIED SOFT COMPUTING, 2017, 55 : 154 - 167
  • [5] New global optimization algorithms for model-based clustering
    Heath, Jeffrey W.
    Fu, Michael C.
    Jank, Wolfgang
    COMPUTATIONAL STATISTICS & DATA ANALYSIS, 2009, 53 (12) : 3999 - 4017
  • [6] Model-Based Compressive Sensing for Signal Ensembles
    Duarte, Marco F.
    Cevher, Volkan
    Baraniuk, Richard G.
    2009 47TH ANNUAL ALLERTON CONFERENCE ON COMMUNICATION, CONTROL, AND COMPUTING, VOLS 1 AND 2, 2009, : 244 - +
  • [7] Meta model-based global design optimization and exploration method
    Guo, Zhen-Dong
    Song, Li-Ming
    Li, Jun
    Li, Guo-Jun
    Feng, Zhen-Ping
    Tuijin Jishu/Journal of Propulsion Technology, 2015, 36 (02): : 207 - 216
  • [8] Predicting Potent Compounds via Model-Based Global Optimization
    Ahmadi, Mohsen
    Vogt, Martin
    Iyer, Preeti
    Bajorath, Juergen
    Froehlich, Holger
    JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2013, 53 (03) : 553 - 559
  • [9] Population model-based optimization
    Chen, Xi
    Zhou, Enlu
    JOURNAL OF GLOBAL OPTIMIZATION, 2015, 63 (01) : 125 - 148
  • [10] Population model-based optimization
    Xi Chen
    Enlu Zhou
    Journal of Global Optimization, 2015, 63 : 125 - 148