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Exploring evolution-aware & -free protein language models as protein function predictors

Quantitative Methods · Submitted 14 Jun 2022

abstract compiled · 2026-09-23 · no language-model review

The authors' main claim We compare these models by empirical study along with new insights and conclusions.

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arXiv ID2206.06583 (version 2)
Pith IDCLAFCQAG, Pith's permanent record of this paper and its review
CitationFajie Yuan, Fei Yang, Fusong Ju, Hui Wang, Jin Su, Kevin K. Yang, Mingyang Hu, Qiuyang Ding. "Exploring evolution-aware & -free protein language models as protein function predictors." arXiv:2206.06583 (2022). https://pith.science/paper/CLAFCQAG
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What the abstract itself states, as probabilities: claims first 0.11 · states limitation 0.12 · human participants 0.03 · controlled comparison 0.53 · randomized assignment 0.01 · states quantitative result 0.03 · compares with prior results 0.78 · mentions code or data availability 0.99.

The abstract, sentence by sentence

arXiv listing abstract v2. Results and the main claim are underlined; .

Large-scale Protein Language Models (PLMs) have improved performance in protein prediction tasks, ranging from 3D structure prediction to various function predictions. In particular, AlphaFold, a ground-breaking AI system, could potentially reshape structural biology. However, the utility of the PLM module in AlphaFold, Evoformer, has not been explored beyond structure prediction. In this paper, we investigate the representation ability of three popular PLMs: ESM-1b (single sequence), MSA-Transformer (multiple sequence alignment) and Evoformer (structural), with a special focus on Evoformer. Specifically, we aim to answer the following key questions: (i) Does the Evoformer trained as part of AlphaFold produce representations amenable to predicting protein function? (ii) If yes, can Evoformer replace ESM-1b and MSA-Transformer? (ii) How much do these PLMs rely on evolution-related protein data? In this regard, are they complementary to each other? We compare these models by empirical study along with new insights and conclusions. All code and datasets for reproducibility are available at https://github.com/elttaes/Revisiting-PLMs.

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What the classifier reports for each sentence. The number is the probability it gave the label.
#sentencerolethe authors' own workstates the main conclusionstrength
s0 Large-scale Protein Language Models (PLMs) have improved performance in protein prediction tasks, ranging from 3D structure prediction to various function predictions. background 1.00 0.05 0.02 asserted 1.00
s1 In particular, AlphaFold, a ground-breaking AI system, could potentially reshape structural biology. background 1.00 0.03 0.02 hedged possibility 1.00
s2 However, the utility of the PLM module in AlphaFold, Evoformer, has not been explored beyond structure prediction. gap 1.00 0.05 0.03 asserted 0.99
s3 In this paper, we investigate the representation ability of three popular PLMs: ESM-1b (single sequence), MSA-Transformer (multiple sequence alignment) and Evoformer (structural), with a special focus on Evoformer. contribution 0.85 0.58 0.03 asserted 0.92
s4 Specifically, we aim to answer the following key questions: (i) Does the Evoformer trained as part of AlphaFold produce representations amenable to predicting protein function? contribution 0.93 0.17 0.03 unclear 0.69
s5 (ii) If yes, can Evoformer replace ESM-1b and MSA-Transformer? contribution 0.74 0.06 0.02 unclear 0.68
s6 (ii) How much do these PLMs rely on evolution-related protein data? contribution 0.51 0.13 0.02 unclear 0.92
s7 In this regard, are they complementary to each other? contribution 0.45 0.08 0.02 unclear 0.97
s8 We compare these models by empirical study along with new insights and conclusions. contribution 0.55 0.76 0.05 asserted 0.55
s9 All code and datasets for reproducibility are available at https://github.com/elttaes/Revisiting-PLMs. contribution 0.63 0.42 0.02 asserted 0.98

What kind of paper the classifier reports this is: empirical study 1.00 · evidence from observation or experiment 0.68.

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Every quoted sentence on this record is the authors'. Every label is from Pith's closed vocabulary, with the probability shown beside it. Every number in the measurements table is the authors', checked by code. Record as JSON

The paper
Original abstract

Large-scale Protein Language Models (PLMs) have improved performance in protein prediction tasks, ranging from 3D structure prediction to various function predictions. In particular, AlphaFold, a ground-breaking AI system, could potentially reshape structural biology. However, the utility of the PLM module in AlphaFold, Evoformer, has not been explored beyond structure prediction. In this paper, we investigate the representation ability of three popular PLMs: ESM-1b (single sequence), MSA-Transformer (multiple sequence alignment) and Evoformer (structural), with a special focus on Evoformer. Specifically, we aim to answer the following key questions: (i) Does the Evoformer trained as part of AlphaFold produce representations amenable to predicting protein function? (ii) If yes, can Evoformer replace ESM-1b and MSA-Transformer? (ii) How much do these PLMs rely on evolution-related protein data? In this regard, are they complementary to each other? We compare these models by empirical study along with new insights and conclusions. All code and datasets for reproducibility are available at https://github.com/elttaes/Revisiting-PLMs.

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3 arXiv papers cite this in 3 sentences

Each citing sentence is taken from the citing paper's LaTeX source and typed by Pith's classifier. A label appears at probability 0.8 or more (0.95 for support), a contest at 0.7 or more; the quoted words are the citing authors'. How each label was checked · JSON

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Cites as background 2 papers
  • Recently, with the advent of large transformer models in natural language processing (NLP), large PLMs using the Transformer [ref] architecture and BERT [ref] denoising task have been widely adopted [ref] .[Note that the bioRxiv version of [ref] is concurrent with [ref] and [ref] . ] PLMs trained on large sequence databases have been successfully applied for various protein related tasks, including secondary structure prediction [ref] , contact prediction [ref] , 3D structure prediction [ref] , annotation prediction [ref] , signal peptide prediction [ref] , intracellular localization prediction [ref] , protein-protein interaction prediction [ref] , and fitness prediction [ref] .

    BERT: Pre-training of Deep Bidirectional Transformers for Language Understanding · Related Work · 0.95

  • Recently, with the advent of large transformer models in natural language processing (NLP), large PLMs using the Transformer [ref] architecture and BERT [ref] denoising task have been widely adopted [ref] .[Note that the bioRxiv version of [ref] is concurrent with [ref] and [ref] . ] PLMs trained on large sequence databases have been successfully applied for various protein related tasks, including secondary structure prediction [ref] , contact prediction [ref] , 3D structure prediction [ref] , annotation prediction [ref] , signal peptide prediction [ref] , intracellular localization prediction [ref] , protein-protein interaction prediction [ref] , and fitness prediction [ref] .

    ProtTrans: Towards Cracking the Language of Life's Code Through Self-Supervised Deep Learning and High Performance Computing · Related Work · 0.95

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