Patent ID: 11929152
Assignee: AMAZON TECHNOLOGIES, INC.
Field: Computer technology (Electrical engineering)
Classification: CPC G | IPC G

Claim 3:
4. A computer-implemented method comprising:
receiving, by one or more processors of a computing device, a request to predict a pair of an enzyme primary sequence and a substrate, and an interaction probability for the pair;
generating a substrate vector by:
decomposing the substrate into a 2-D connection matrix with 1-D embeddings for each node of the 2-D connection matrix;
tiling the 1-D embeddings to form 2-D representations for each node of the 2-D connection matrix;
stacking the 2-D connection matrix with the 2-D representations and upsampling, thereby generating a 2-D upsampled stack; and
convolving the 2-D upsampled stack to generate the substrate vector;

combining, by the one or more processors, an enzyme vector, the substrate vector, and an interaction indication for the enzyme and substrate to form a machine learning (ML) model input;
receiving, by a multi-headed self-attention ML model executed by the one or more processors, the ML model input;
predicting, using the multi-headed self-attention ML model based at least on the ML model input, the pair of an enzyme primary sequence and a substrate, and an interaction probability for the pair; and
outputting, by the multi-headed self-attention ML model, a result of the predicting using the multi-headed self-attention ML model, the result including the pair of an enzyme primary sequence and a substrate, and an interaction probability for the pair.