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While conventional Transformers generally operate on sequence data, they can be used in conjunction with structure models, typically SE(3)-invariant or equivariant graph neural networks (GNNs), for 3D applications such as protein structure…

Machine Learning · Computer Science 2025-08-04 Isaac Ellmen , Constantin Schneider , Matthew I. J. Raybould , Charlotte M. Deane

Inferring protein-protein interactions from sequences is an important task in computational biology. Recent methods based on Direct Coupling Analysis (DCA) or Mutual Information (MI) allow to find interaction partners among paralogs of two…

Biomolecules · Quantitative Biology 2022-05-19 Andonis Gerardos , Nicola Dietler , Anne-Florence Bitbol

Proteins, essential to biological systems, perform functions intricately linked to their three-dimensional structures. Understanding the relationship between protein structures and their amino acid sequences remains a core challenge in…

Quantitative Methods · Quantitative Biology 2024-11-04 Liang He , Peiran Jin , Yaosen Min , Shufang Xie , Lijun Wu , Tao Qin , Xiaozhuan Liang , Kaiyuan Gao , Yuliang Jiang , Tie-Yan Liu

Inverse statistical approaches to determine protein structure and function from Multiple Sequence Alignments (MSA) are emerging as powerful tools in computational biology. However the underlying assumptions of the relationship between the…

Biomolecules · Quantitative Biology 2016-11-17 Hugo Jacquin , Amy Gilson , Eugene Shakhnovich , Simona Cocco , Rémi Monasson

The prediction of protein structures from sequences is an important task for function prediction, drug design, and related biological processes understanding. Recent advances have proved the power of language models (LMs) in processing the…

Quantitative Methods · Quantitative Biology 2022-12-01 Bozhen Hu , Jun Xia , Jiangbin Zheng , Cheng Tan , Yufei Huang , Yongjie Xu , Stan Z. Li

The Multiple Sequence Alignment (MSA) is a computational abstraction that represents a partial summary either of indel history, or of structural similarity. Taking the former view (indel history), it is possible to use formal automata…

Populations and Evolution · Quantitative Biology 2015-06-04 Oscar Westesson , Gerton Lunter , Benedict Paten , Ian Holmes

Many biological questions, including the estimation of deep evolutionary histories and the detection of remote homology between protein sequences, rely upon multiple sequence alignments (MSAs) and phylogenetic trees of large datasets.…

Genomics · Quantitative Biology 2015-04-07 Nam-phuong Nguyen , Siavash Mirarab , Keerthana Kumar , Tandy Warnow

Arabic is a Semitic language which is widely spoken with many dialects. Given the success of pre-trained language models, many transformer models trained on Arabic and its dialects have surfaced. While these models have been compared with…

Computation and Language · Computer Science 2022-11-18 Ahmed Abdelali , Nadir Durrani , Fahim Dalvi , Hassan Sajjad

In recent years, self-supervised learning has amassed significant interest for training deep neural representations without labeled data. One such self-supervised learning approach is masked spectrogram modeling, where the objective is to…

Sound · Computer Science 2025-09-24 Sarthak Yadav , Sergios Theodoridis , Zheng-Hua Tan

Recent research suggests that the feed-forward module within Transformers can be viewed as a collection of key-value memories, where the keys learn to capture specific patterns from the input based on the training examples. The values then…

Computation and Language · Computer Science 2023-10-25 Sunit Bhattacharya , Ondrej Bojar

The 21st century is presenting humankind with unprecedented environmental and medical challenges. The ability to design novel proteins tailored for specific purposes could transform our ability to respond timely to these issues. Recent…

Biomolecules · Quantitative Biology 2022-08-24 Noelia Ferruz , Birte Höcker

Most protein families have fewer than 100 known members, a regime where deep generative models overfit or collapse. We propose stochastic attention (SA), a training-free sampler that treats the modern Hopfield energy over a protein…

Machine Learning · Computer Science 2026-03-17 Jeffrey D. Varner

Proteins are the basic building blocks of life. They usually perform functions by folding to a particular structure. Understanding the folding process could help the researchers to understand the functions of proteins and could also help to…

Computational Engineering, Finance, and Science · Computer Science 2015-10-21 Jianzhu Ma

Foundation models, now powering most of the exciting applications in deep learning, are almost universally based on the Transformer architecture and its core attention module. Many subquadratic-time architectures such as linear attention,…

Machine Learning · Computer Science 2024-06-03 Albert Gu , Tri Dao

Protein contacts provide key information for the understanding of protein structure and function, and therefore contact prediction from sequences is an important problem. Recent research shows that some correctly predicted long-range…

Quantitative Methods · Quantitative Biology 2020-09-02 Siqi Sun

The use of generative machine learning models, trained on the experimentally resolved structures deposited in the protein data bank, is an attractive approach to sampling conformational ensembles of proteins. However, the ensembles…

Biomolecules · Quantitative Biology 2025-12-22 Akashnathan Aranganathan , Eric R. Beyerle

Protein language models (PLMs) have demonstrated remarkable capabilities in learning relationships between protein sequences and functions. However, finetuning these large models requires substantial computational resources, often with…

Machine Learning · Computer Science 2025-12-09 Shuo Zhang , Jian K. Liu

Data-driven predictive methods which can efficiently and accurately transform protein sequences into biologically active structures are highly valuable for scientific research and medical development. Determining accurate folding landscape…

We explore deep autoregressive Transformer models in language modeling for speech recognition. We focus on two aspects. First, we revisit Transformer model configurations specifically for language modeling. We show that well configured…

Computation and Language · Computer Science 2019-09-25 Kazuki Irie , Albert Zeyer , Ralf Schlüter , Hermann Ney

Protein contacts contain important information for protein structure and functional study, but contact prediction from sequence remains very challenging. Both evolutionary coupling (EC) analysis and supervised machine learning methods are…

Quantitative Methods · Quantitative Biology 2015-04-09 Jianzhu Ma , Sheng Wang , Zhiyong Wang , Jinbo Xu