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Is Transfer Learning Necessary for Protein Landscape Prediction?

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Recently, there has been great interest in learning how to best represent proteins, specifically with fixed-length embeddings. Deep learning has become a popular tool for protein representation learning as a model's hidden layers produce potentially useful vector embeddings. TAPE introduced a number of benchmark tasks and showed that semi-supervised learning, via pretraining language models on a large protein corpus, improved performance on downstream tasks. Two of the tasks (fluorescence prediction and stability prediction) involve learning fitness landscapes. In this paper, we show that CNN models trained solely using supervised learning both compete with and sometimes outperform the best models from TAPE that leverage expensive pretraining on large protein datasets. These CNN models are sufficiently simple and small that they can be trained using a Google Colab notebook. We also find for the fluorescence task that linear regression outperforms our models and the TAPE models. The benchmarking tasks proposed by TAPE are excellent measures of a model's ability to predict protein function and should be used going forward. However, we believe it is important to add baselines from simple models to put the performance of the semi-supervised models that have been reported so far into perspective.

Amir Shanehsazzadeh, David Belanger, David Dohan• 2020

Related benchmarks

TaskDatasetResultRank
Fold ClassificationFold Classification
Superfamily Score13.4
31
Gene Ontology predictionGene Ontology
BP Score26.4
29
Binding affinity predictionCASF 2016 (test)
RMSE1.376
21
Reaction ClassificationEnzyme Reaction
Reaction Accuracy51.7
19
Enzyme Commission PredictionEnzyme Commission
EC Score54.5
16
Protein-protein Interaction Affinity RegressionPEER PPI Affinity 1.0 (test)
RMSE2.796
12
Protein-protein Interaction Binary ClassificationPEER Yeast 1.0 (test)
Accuracy55.07
12
Protein-protein Interaction Binary ClassificationPEER Human 1.0 (test)
Accuracy62.6
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Sequence-based Affinity PredictionPEER BindingDB 1.0 (test)
RMSE1.497
11
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