Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Machine learning modeling of high entropy alloy: the role of short-range
  order   The development of machine learning sheds new light on the traditionally
complicated problem of thermodynamics in multicomponent alloys. Successful
application of such a method, however, strongly depends on the quality of the
data and model. Here we propose a scheme to improve the representativeness of
the data by utilizing the short-range order (SRO) parameters to survey the
configuration space. Using the improved data, a pair interaction model is
trained for the NbMoTaW high entropy alloy using linear regression. Benefiting
from the physics incorporated into the model, the learned effective Hamiltonian
demonstrates excellent predictability over the whole configuration space. By
including pair interactions within the 6th nearest-neighbor shell, this model
achieves an $R^2$ testing score of 0.997 and root mean square error of 0.43
meV. We further perform a detailed analysis on the effects of training data,
testing data, and model parameters. The results reveal the vital importance of
representative data and physical model. On the other hand, we also examined the
performance neural networks, which is found to demonstrate a strong tendency to
overfit the data.

25
The categories of this paper are: patt-sol
15
The categories of this paper are: nucl-ex
17
The categories of this paper are: q-fin
23
The categories of this paper are: solv-int
16
The categories of this paper are: stat
14
The categories of this paper are: math-ph
37
The categories of this paper are: supr-con
30
The categories of this paper are: q-alg
1
The categories of this paper are: cs
6
The categories of this paper are: astro-ph
7
The categories of this paper are: hep-th
32
The categories of this paper are: atom-ph
21
The categories of this paper are: adap-org
20
The categories of this paper are: acc-phys
36
The categories of this paper are: cmp-lg
28
The categories of this paper are: alg-geom