Search Results for author: Yigitcan Comlek

Found 4 papers, 1 papers with code

Mixed-Variable Global Sensitivity Analysis For Knowledge Discovery And Efficient Combinatorial Materials Design

no code implementations23 Oct 2023 Yigitcan Comlek, LiWei Wang, Wei Chen

So far, global sensitivity studies have often been limited to design spaces with only quantitative (numerical) design variables.

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A Latent Variable Approach for Non-Hierarchical Multi-Fidelity Adaptive Sampling

no code implementations5 Oct 2023 Yi-Ping Chen, LiWei Wang, Yigitcan Comlek, Wei Chen

However, most existing MF methods rely on the hierarchical assumption of fidelity levels or fail to capture the intercorrelation between multiple fidelity levels and utilize it to quantify the value of the future samples and navigate the adaptive sampling.

Bayesian Optimization Navigate

Rapid Design of Top-Performing Metal-Organic Frameworks with Qualitative Representations of Building Blocks

1 code implementation17 Feb 2023 Yigitcan Comlek, Thang Duc Pham, Randall Snurr, Wei Chen

Our approach provides three main advantages: (i) no specific physical descriptors are required and only building blocks that construct the MOFs are used in global optimization through qualitative representations, (ii) the method is application and property independent, and (iii) the latent variable approach provides an interpretable model of qualitative building blocks with physical justification.

Bayesian Optimization

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