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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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The abstract, sentence by sentence
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.
background contribution method result interpretation main claim
| # | sentence | role | the authors' own work | states the main conclusion | strength |
|---|---|---|---|---|---|
| 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 |
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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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References
How the literature uses it
3 arXiv papers cite this in 3 sentences
Papers citing it · 2 sentences without a confident label
Cites it as background 1 paper
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It is trained on extensive data encompassing protein sequences and structures to predict the 3D structure of a given protein sequence [ref] .
T Cell Receptor Protein Sequences and Sparse Coding: A Novel Approach to Cancer Classification · Related Work · 0.91
What it cites · 3 sentences without a confident label
Uses the method or tool of 1 paper
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On the other hand, given the powerful function representation of ESM-1b, we design a fast homology retrieval framework using Siamese ESM-1b, following [ref] .
Sentence-BERT: Sentence Embeddings using Siamese BERT-Networks · Relationship between Evolution-aware & -free PLMs · 0.91
Cites as background 2 papers
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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
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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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