An efficient kriging modeling method for high-dimensional design problems based on maximal information coefficient


Kriging, one of the most popular surrogate models, is widely used in computationally expensive optimization problems to improve the design efficiency. However, due to the “curse-of-dimensionality,” the time for generating the kriging model increases exponentially as the dimension of the problem grows. When it comes to the cases that the kriging model needs to be frequently constructed, such as sequential sampling for kriging modeling or global optimization based on kriging model, the increased modeling time should be taken into consideration. To overcome this challenge, we propose a novel kriging modeling method which combines kriging with maximal information coefficient (MIC). Taking the features of the optimized hyper-parameters into consideration, MIC is utilized for estimating the relative magnitude of hyper-parameters. Then this knowledge of hyper-parameters is incorporated into the maximum likelihood estimation problem to reduce the dimensionality. In this way, the high dimensional optimization can be transformed into a one-dimensional optimization, which can significantly improve the modeling efficiency. Five representative numerical examples from 20-D to 80-D and an industrial example with 35 variables are used to show the effectiveness of the proposed method. Results show that compared with the conventional kriging, the modeling time of the proposed method can be ignored, while the loss of accuracy is acceptable. For the problems with more than 40 variables, the proposed method can even obtain a more accurate kriging model with given computational resources. Besides, the proposed method is also compared with KPLS (kriging combined with the partial least squares method), another state-of-the-art kriging modeling method for high-dimensional problems. Results show that the proposed method is more competitive than KPLS, which means the proposed method is an efficient kriging modeling method for high-dimensional problems.

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  1. 1.

  2. 2.





Set of real numbers

+ :

Set of positive real numbers

d :


m :

Number of sample points

x :

A sample point (1 × d vector)

x j :

jth element of x for j = 1, ..., d

X :

m × d matrix of sample points

x (i) :

ith sample point for i = 1, ..., m (1 × d vector)

x i :

ith column of X for i = 1, ..., d (m × 1 vector)

\( {x}_l^{(i)} \) :

ith element of xl for i = 1, ..., m.

y :

m × 1 vector of response values

y (i) :

Response value of x(i) for i = 1, ..., m

\( \hat{y}\left(\mathbf{x}\right) \) :

Prediction of a sample point


Realization of a stochastic process

R :

Spatial correlation function

R :

Correlation matrix

1 :

n−vector of ones

s 2(x):

Prediction of the kriging variance

σ 2 :

Process variance

θ :

Hyper-parameters (1 × d vector)

θ i :

ith element of θ for i = 1, ..., d

S i :

First-order Sobol’ index for i = 1, ..., d

w i :

MIC value of xi and y for i = 1, ..., d

λ :

Auxiliary parameter


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This research was financially supported by the National Natural Science Foundation of China (Grant No. 51875466 and Grant No. 51805436).

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Correspondence to Peng Wang.

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Appendix: Examples of spatial correlation functions

Appendix: Examples of spatial correlation functions

The proposed method (KMIC) combines kriging with maximal information coefficient and constructs a new maximum likelihood estimation problem (Eq. 22). Then the number of parameters we need to optimize when estimating hyper-parameters is reduced to one. It seems that KMIC constructs a new spatial correlation function which depends on only one parameter. In this article, Gaussian exponential correlation function is applied with the proposed method. For the other spatial correlation functions, the proposed method is also suitable. Appendix Table 8 presents the most popular examples of spatial correlation functions. Appendix Table 9 presents the new KMIC spatial correlation functions based on the examples given in Appendix Table 8.

Table 8 Examples of commonly used spatial correlation functions
Table 9 Examples of KMIC spatial correlation functions

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Zhao, L., Wang, P., Song, B. et al. An efficient kriging modeling method for high-dimensional design problems based on maximal information coefficient. Struct Multidisc Optim 61, 39–57 (2020).

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  • Kriging
  • Maximal information coefficient
  • High-dimensional problems
  • Metamodels