Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Physics makes the difference: Bayesian optimization and active learning
  via augmented Gaussian process   Both experimental and computational methods for the exploration of structure,
functionality, and properties of materials often necessitate the search across
broad parameter spaces to discover optimal experimental conditions and regions
of interest in the image space or parameter space of computational models. The
direct grid search of the parameter space tends to be extremely time-consuming,
leading to the development of strategies balancing exploration of unknown
parameter spaces and exploitation towards required performance metrics.
However, classical Bayesian optimization strategies based on the Gaussian
process (GP) do not readily allow for the incorporation of the known physical
behaviors or past knowledge. Here we explore a hybrid optimization/exploration
algorithm created by augmenting the standard GP with a structured probabilistic
model of the expected system's behavior. This approach balances the flexibility
of the non-parametric GP approach with a rigid structure of physical knowledge
encoded into the parametric model. The fully Bayesian treatment of the latter
allows additional control over the optimization via the selection of priors for
the model parameters. The method is demonstrated for a noisy version of the
classical objective function used to evaluate optimization algorithms and
further extended to physical lattice models. This methodology is expected to be
universally suitable for injecting prior knowledge in the form of physical
models and past data in the Bayesian optimization framework

27
The categories of this paper are: comp-gas
13
The categories of this paper are: quant-ph
23
The categories of this paper are: solv-int
28
The categories of this paper are: alg-geom
19
The categories of this paper are: eess
9
The categories of this paper are: nlin
32
The categories of this paper are: atom-ph
17
The categories of this paper are: q-fin
33
The categories of this paper are: plasm-ph
30
The categories of this paper are: q-alg
14
The categories of this paper are: math-ph
21
The categories of this paper are: adap-org
15
The categories of this paper are: nucl-ex
11
The categories of this paper are: hep-lat
34
The categories of this paper are: chem-ph
24
The categories of this paper are: dg-ga