Dataset Information

ProteinGLUE multi-task benchmark suite for self-supervised protein modeling.

ABSTRACT: Self-supervised language modeling is a rapidly developing approach for the analysis of protein sequence data. However, work in this area is heterogeneous and diverse, making comparison of models and methods difficult. Moreover, models are often evaluated only on one or two downstream tasks, making it unclear whether the models capture generally useful properties. We introduce the ProteinGLUE benchmark for the evaluation of protein representations: a set of seven per-amino-acid tasks for evaluating learned protein representations. We also offer reference code, and we provide two baseline models with hyperparameters specifically trained for these benchmarks. Pre-training was done on two tasks, masked symbol prediction and next sentence prediction. We show that pre-training yields higher performance on a variety of downstream tasks such as secondary structure and protein interaction interface prediction, compared to no pre-training. However, the larger base model does not outperform the smaller medium model. We expect the ProteinGLUE benchmark dataset introduced here, together with the two baseline pre-trained models and their performance evaluations, to be of great value to the field of protein sequence-based property prediction. Availability: code and datasets from https://github.com/ibivu/protein-glue .

SUBMITTER: Capel H

PROVIDER: S-EPMC9512797 | biostudies-literature | 2022 Sep

REPOSITORIES: biostudies-literature

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ProteinGLUE multi-task benchmark suite for self-supervised protein modeling.

Capel Henriette H Weiler Robin R Dijkstra Maurits M Vleugels Reinier R Bloem Peter P Feenstra K Anton KA

Scientific reports 20220926 1

Self-supervised language modeling is a rapidly developing approach for the analysis of protein sequence data. However, work in this area is heterogeneous and diverse, making comparison of models and methods difficult. Moreover, models are often evaluated only on one or two downstream tasks, making it unclear whether the models capture generally useful properties. We introduce the ProteinGLUE benchmark for the evaluation of protein representations: a set of seven per-amino-acid tasks for evaluati ...[more]

PMID: 36163232

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Project description:IntroductionDecoding brain activities is one of the most popular topics in neuroscience in recent years. And deep learning has shown high performance in fMRI data classification and regression, but its requirement for large amounts of data conflicts with the high cost of acquiring fMRI data.MethodsIn this study, we propose an end-to-end temporal contrastive self-supervised learning algorithm, which learns internal spatiotemporal patterns within fMRI and allows the model to transfer learning to datasets of small size. For a given fMRI signal, we segmented it into three sections: the beginning, middle, and end. We then utilized contrastive learning by taking the end-middle (i.e., neighboring) pair as the positive pair, and the beginning-end (i.e., distant) pair as the negative pair.ResultsWe pretrained the model on 5 out of 7 tasks from the Human Connectome Project (HCP) and applied it in a downstream classification of the remaining two tasks. The pretrained model converged on data from 12 subjects, while a randomly initialized model required 100 subjects. We then transferred the pretrained model to a dataset containing unpreprocessed whole-brain fMRI from 30 participants, achieving an accuracy of 80.2 ± 4.7%, while the randomly initialized model failed to converge. We further validated the model's performance on the Multiple Domain Task Dataset (MDTB), which contains fMRI data of 26 tasks from 24 participants. Thirteen tasks of fMRI were selected as inputs, and the results showed that the pre-trained model succeeded in classifying 11 of the 13 tasks. When using the 7 brain networks as input, variations of the performance were observed, with the visual network performed as well as whole brain inputs, while the limbic network almost failed in all 13 tasks.DiscussionOur results demonstrated the potential of self-supervised learning for fMRI analysis with small datasets and unpreprocessed data, and for analysis of the correlation between regional fMRI activity and cognitive tasks.

Dataset Information

ProteinGLUE multi-task benchmark suite for self-supervised protein modeling.

Publications

ProteinGLUE multi-task benchmark suite for self-supervised protein modeling.

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