• CCE-119-352-370

LEAPS2: Learning based Evolutionary Assistive Paradigm for Surrogate Selection

Authors: Sushant S. Garud, Iftekhar A. Karimi, and Markus Kraft*

Reference: Computers & Chemical Engineering 119, 352-370, (2018)

  • Learning-based data-driven paradigm (LEAPS2) for selecting the best surrogate/s to approximate complex systems.
  • The paradigm allows the evolution of the surrogate selection tool via more data sets, system attributes, and surrogates.
  • Successful implementation using 66 analytical functions, 18 system attributes, and 25 surrogates.
  • Recommendation efficiency improves over data sets in a 5-step progressive approach.
  • Accurate approximation and estimation of the VLE properties of LNG using LEAPS2.

Graphical abstract We propose a learning-based paradigm (LEAPS2) to recommend the best surrogate/s with minimal computational effort using the input-output data of a complex physico-numerical system. Emulating the knowledge pyramid, LEAPS2 uses several attributes to extract system information from the data, correlates them with surrogate performances, stores this attribute-surrogate knowledge in a regression tree ensemble, and uses the ensemble to recommend surrogates for unknown systems. We implement LEAPS2 using data from 66 diverse analytical functions, 18 attributes, and 25 surrogates. By progressively adding data, we demonstrate that LEAPS2 learns to improve computational efficiency and functional accuracy. Besides, the architecture of LEAPS2 enables its evolution via more attributes and surrogates. We employ LEAPS2 to recommend surrogates for estimating the bubble and dew point temperatures of LNG. Interestingly, our assistive tool suggests a different surrogate for each temperature, and hints that DPT may be harder to approximate than BPT.

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*Corresponding author:
Telephone: +44 (0)1223 762784 (Dept) 769010 (CHU)
Address: Department of Chemical Engineering and Biotechnology
University of Cambridge
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