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Table 5 Wall time of the model’s inference on the USPTO 50k test set (5K reactions) in single-step retrosynthesis with beam search and speculative beam search (SBS). “B” stands for batch size, and “K” stands for the number of generated sequences (beam size for beam search). Here K is equal to 10. The number of drafts and the draft length in the speculative beam search is different for every B. The average time and the standard deviation are estimated based on five runs

From: Accelerating the inference of string generation-based chemical reaction models for industrial applications

Decoding (K=10)

Time (B=1), min

Time (B=2), min

Time (B=4), min

Time (B=8), min

Beam search

70.0 ± 13.2

42.1 ± 6.7

26.9 ± 3.5

18.7 ± 1.2

SBS

39.2 ± 3.4

30.1 ± 0.8

28.1 ± 0.3

20.1 ± 0.2

SBS (smart drafts)

22.7 ± 1.3

16.6 ± 0.4

14.8 ± 0.1

13.4 ± 0.1