Sökning: "Chemformer"

Hittade 2 uppsatser innehållade ordet Chemformer.

1. 1. Evaluating and optimizing Transformer models for predicting chemical reactions

   Master-uppsats, Göteborgs universitet/Institutionen för data- och informationsteknik

   Författare :Siva Manohar Koki; Supriya Kancharla; [2023-10-23]
   Nyckelord :Chemformer; transformer; evaluation; explainable AI; fine-tuning; machine learning;

   Sammanfattning : In this thesis, we assess the effectiveness of a transformer model specifically trained to predict chemical reactions. The model, named Chemformer, is a sequence-tosequence model that uses the transformer’s encoder and decoder stacks. LÄS MER

3. 2. Siamese Neural Networks for Regression: Similarity-BasedPairing and Uncertainty Quantification

   Master-uppsats, Uppsala universitet/Institutionen för farmaceutisk biovetenskap

   Författare :Yumeng Zhang; [2022]
   Nyckelord :;

   Sammanfattning : Here we present a similarity-based pairing method for generating compound pairs to train a Siamese Neural Network. In comparison with the conventional exhaustive pairing of N2/2 pairs (N being the sizeof the training set), this method results in N-1 pairs, significantly reducing the training time. LÄS MER