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    <journal-meta />
    <article-meta>
      <title-group>
        <article-title>Towards Landscape Analysis in Adaptive Learning of Surrogate Models</article-title>
      </title-group>
      <contrib-group>
        <contrib contrib-type="author">
          <string-name>Zbyněk Pitra</string-name>
          <email>pitra@cs.cas.cz</email>
          <xref ref-type="aff" rid="aff0">0</xref>
          <xref ref-type="aff" rid="aff1">1</xref>
        </contrib>
        <contrib contrib-type="author">
          <string-name>Martin Holeňa</string-name>
          <email>martin@cs.cas.cz</email>
          <xref ref-type="aff" rid="aff1">1</xref>
        </contrib>
        <aff id="aff0">
          <label>0</label>
          <institution>Faculty of Nuclear Sciences and Physical Engineering, CTU in Prague Břehová</institution>
          ,
          <addr-line>Prague</addr-line>
          ,
          <country country="CZ">Czech Republic</country>
        </aff>
        <aff id="aff1">
          <label>1</label>
          <institution>Institute of Computer Science, Academy of Sciences of the Czech Republic Pod Vodárenskou věží</institution>
          ,
          <addr-line>Prague</addr-line>
          ,
          <country country="CZ">Czech Republic</country>
        </aff>
      </contrib-group>
      <fpage>78</fpage>
      <lpage>83</lpage>
      <kwd-group>
        <kwd>Adaptive learning</kwd>
        <kwd>Optimization strategy</kwd>
        <kwd>Black-box optimization</kwd>
        <kwd>Landscape analysis</kwd>
        <kwd>Surrogate model</kwd>
      </kwd-group>
    </article-meta>
  </front>
  <body>
    <sec id="sec-1">
      <title>Introduction</title>
      <p>A context in which we expect adaptive learning to be promising is the choice
of a suitable optimization strategy in black-box optimization. The reason why
strategy adaptation is needed in such a situation is that knowledge of the
blackbox objective function is obtained only gradually during the optimization. That
knowledge covers two aspects:
. the landscape of the black-box objective, revealed through its evaluation in
previous iterations;
. success or failure of the optimization strategies applied to that black-box
objective in previous iterations.</p>
      <p>To extract landscape knowledge, landscape analysis has been developed
during the last decade [ , , ]. To include also the second aspect, we complement
features obtained using the landscape analysis with features describing the
optimization employed in previous iterations.</p>
      <p>Our interest is in expensive black-box optimization, where the number of
evaluations of the expensive objective is usually decreased using a suitable
surrogate model. Therefore, the research reported in this extended abstract addresses
adaptive learning of surrogate models, more precisely their learning in
surrogateassisted versions of the state-of-the-art black-box optimization method,
Covariance Matrix Adaptation Evolution Strategy (CMA-ES) [ ].</p>
      <p>Considering the results in [ , ] suggesting that the properties of landscape
features in connection with surrogate model selection problem should be analysed
in more detail, we contribute with this work a first essential step towards a
better understanding, by analysing the robustness of feature computation. Such
analysis of a large set of landscape features has already been presented only
in connection with selection of the most convenient optimization algorithm for
problems in fixed dimension [ ].</p>
      <p>© 2020 for this paper by its authors. Use permitted under CC BY 4.0.</p>
      <p>This extended abstract focuses on surrogate model selection task in multiple
dimensions and discusses robustness of several classes of features against samples
of points from the same distribution.</p>
    </sec>
    <sec id="sec-2">
      <title>Landscape Analysis for Surrogate Model Selection</title>
      <p>where ◦
fSeaNt∈ uNreRcNo,mDp× ut(aRtio∪{◦} n.</p>
      <p>Landscape analysis aims at measuring characteristics of the objective function
using functions that assign to each dataset a set of real numbers [ ]. Let’s
consider a dataset of N pairs of observations (xi, yi) ∈ RD ×
R ∪ {◦} |
i = 1, . . . , N ,
denotes missing yi value (e. g., x
i was not evaluated yet). Then the
dataset can be utilized to describe landscape properties using a feature ϕ :
)N,1
→7</p>
      <p>R ∪ {±∞
,
}• , where • denotes impossibility of</p>
      <p>Feature classes convenient for continuous black-box optimization field are
mostly described in [ ]. From the available feature classes we mention only those
convenient for problems with a high computational complexity (unlike e. g.,
cellmapping approach [ ]) and at the same time not requiring additional evaluations
of the expensive function. Feature classes are able to measure the dissimilarity
among points of a subset of the sample (Dispersion) [ ], express various
information content of the landscape (Information Content) [ ], measure the relative
position of each value with respect to quantiles (Levelset) [ ], extract the
information from linear or quadratic regression models (Meta-Model) [
] or from the
nearest or the better observation neighbours (Nearest Better Clustering) [ ], and
describe the distribution of the objective values (y-Distribution) [ ]. Moreover,
in [ ] we have proposed the set of features based on the CMA-ES state variables
(CMA features).</p>
      <p>The surrogate model selection problem tackle the situation in an iteration
trained using a training set T selected out of an archive A (
T ⊂ A
i of a surrogate-assisted algorithm A, where a set of surrogate models M
) of all points
evaluated so far using the objective function f: A = { (xi, f(xi))| i = 1, . . . , N } .
Hereafter, a new set of points P = { xk| k = 1, . . . , α } is evaluated using a
surrogate model M ∈ M</p>
      <p>, where α ∈ N depends on the strategy defining the
usage of surrogate model in algorithm A. The research question is: How to select
are
the most convenient M from</p>
      <p>M</p>
      <p>according to A, T , and P?</p>
      <p>To tackle the research question connected with the surrogate model
selection problem, we have proposed (see [ ]) the following metalearning approach
visualised in Figure :</p>
      <sec id="sec-2-1">
        <title>In the first phase, each model M ∈ M is trained on each T of datasets D = {A</title>
        <p>(l), T
(l), P
(l)</p>
        <p>L
} l=1, L ∈ N and its error ε is measured on P
(l).</p>
        <p>Simultaneously, a set of features Φ is computed on each dataset from D
. Hereby,
(l) from the set
a mapping SM : Φ → M
from the space of landscape features to</p>
      </sec>
      <sec id="sec-2-2">
        <title>M is trained.</title>
        <p>In the second phase, the trained mapping SM is utilized in each iteration i of the
algorithm A to select the model M ∈ M
predict objective function values of points from P
on A
(i), T
(i), and P
(i). The selected M is utilized to fit T</p>
        <p>(i).
according to the features Φ calculated
(i) and afterwards to
D</p>
        <p>A</p>
        <p>T</p>
        <p>P</p>
        <sec id="sec-2-2-1">
          <title>Data space</title>
          <p>Φ (A, T , P)</p>
        </sec>
        <sec id="sec-2-2-2">
          <title>Landscape feature space</title>
        </sec>
        <sec id="sec-2-2-3">
          <title>Feature extraction</title>
          <p>Train model on T</p>
          <p>S</p>
        </sec>
        <sec id="sec-2-2-4">
          <title>Selection mapping</title>
          <p>minimizing ε
S : Φ 7→ M
M ∈ M</p>
        </sec>
        <sec id="sec-2-2-5">
          <title>Surrogate model space</title>
          <p>ε (M) ∈ E</p>
        </sec>
        <sec id="sec-2-2-6">
          <title>Prediction error</title>
        </sec>
        <sec id="sec-2-2-7">
          <title>Assess</title>
          <p>performance
on P</p>
        </sec>
      </sec>
    </sec>
    <sec id="sec-3">
      <title>Feature Robustness</title>
      <p>To investigate robustness of feature computation against different samples of
points (in the sense of low variance), several independent archive realisations
using the same distributions should be available. To gain such realisations, we
have created a new set of artificial distributions by smoothing the distributions
from real runs of the surrogate algorithm on the set of benchmarks.</p>
      <p>First, we have generated a set of datasets D using independent runs of the
model settings from [ ] for the DTS-CMA-ES algorithm [ , ] on the
noiseless single-objective benchmark functions from the COCO framework [ , ].
All runs were performed in dimensions , , , , and on instances – .
To gain comparable archives using those runs, we have generated points
for new archives using the weighted sum of original archive distributions from
D, where the weight vector w(i) = 91 (0, . . . , i− 03, i− 12, i− 21, 3i , i+21, i+12, i+03, . . . , 0)&gt;
provides distribution smoothing across the available iterations . Second, for all
A(i), T (i), and P(i) from D we have computed all features from the following
feature classes: Dispersion, Information Content, Levelset, Meta-Model, Nearest
Better Clustering, y-Distribution, CMA features.</p>
      <p>Once the features are computed, the numbers of ±∞ and • values of different
samples from one iteration are summarized and the rest of feature values is
normalized to [0, 1] range using feature minima and maxima over the whole D.
We then compare feature means and variances for individual iterations.</p>
      <p>Weighted sum of the original archive distributions satisfies
Pinm=a0x wn(i)N m(n), C(n) ∼ N Pinm=a0x wn(i)m(n), Pinm=a0x (wn(i))2C(n) , where
imax is the maximal iteration reached by particular original archive and m(n) and
C(n) are mean and covariance matrix in iteration n.
6
75
numb2e1r0of observations
476
1185
1.2
1.5</p>
      <p>2.1 3.5
density of observations
6.7
4.4
100
s
e
l
p
50 sam
f
o
%
100
s
e
l
p
m
50 sa
f
o
%
220
120
43
numb7e4r of observations
117
221
1.2
1.4</p>
      <p>1.8 2.8
density of observations</p>
    </sec>
    <sec id="sec-4">
      <title>Conclusion</title>
      <p>The extended abstract addressed adaptive learning of a suitable optimization
setting in black-box optimization, more precisely, adaptive learning of a surrogate
model in a surrogate-assisted version of the CMA-ES. Its main message is the
relationship of this kind of adaptive learning to landscape analysis. A formal
framework for the learning of a surrogate model based on landscape analysis is
given, and considered kinds of landscape features are discussed. In the results
obtained so far, attention is paid in particular to feature robustness.</p>
      <p>This work in progress is part of a thorough investigation of the possibilities of
landscape analysis in the context of surrogate modelling for black-box
optimization. That investigation has already brought first results in the past [ , , ],
but much still remains for further research.</p>
      <p>Acknowledgements The reported research was supported by the Czech
Science Foundation grant No. - S and by the Grant Agency of the Czech
Technical University in Prague with its grant No. SGS / /OHK / T/ .
Further, access to computing and storage facilities owned by parties and projects
contributing to the National Grid Infrastructure MetaCentrum, provided under
the programme "Projects of Large Research, Development, and Innovations
Infrastructures" (CESNET LM ), is greatly appreciated.
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