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Fig 1.

BP basic network structure.

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Fig 2.

Schematic illustration for geometry of the (a) yolk-shell structure.(b) Front view of yolk shell structure.

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Fig 3.

Structure diagram of forward prediction neural network.

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Fig 4.

(a) Learning curve of the BPNN model with BPNN algorithm prediction results of Au@TiO2, R = 2 nm, C = 4 nm, (b) prediction results, (c) simulation results. (d) Learning curve of the BPNN model with Au@Au, R = 2 nm, C = 4 nm, (e) prediction results, (f) simulation results.

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Fig 5.

BPNN prediction of Au@TiO2.

An absorption spectrum with a distance of 5 nm from the Au core to the shell, (a) S = 4 nm, (b) S = 7 nm, and (c) S = 9 nm; The diameter of Au nucleus is 6 nm, (d) S = 3 nm, (e) S = 5 nm, (f) S = 7 nm; The diameter of the Au nucleus is 7 nm, with (g) C = 6 nm, (h) C = 7 nm, and (i) C = 9 nm.

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Fig 6.

BPNN prediction of Au@Au.

The absorption spectrum of Au with a distance from the core to the shell of 5 nm, (a) S = 4 nm, (b) S = 7 nm, (c) S = 9 nm; The diameter of Au nucleus is 6 nm, (d) S = 3 nm, (e) S = 5 nm, (f) S = 7 nm; The diameter of the Au nucleus is 7 nm, (g) C = 5 nm, (h) C = 7 nm, and (i) C = 9 nm.

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Fig 7.

BPNN reverse design architecture.

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Fig 8.

Reverse prediction results.

(a) Au@TiO2 Predicted results and actual data, (b) Au@Au Comparison of size parameters between predicted results and real data, reverse prediction and forward prediction, (c) Au@TiO2, (d) Au@Au.

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