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Protein retrieval, which targets the deconstruction of the relationship between sequences, structures and functions, empowers the advancing of biology. Basic Local Alignment Search Tool (BLAST), a sequence-similarity-based algorithm, has…

Information Retrieval · Computer Science 2025-01-06 Yuxuan Wu , Xiao Yi , Yang Tan , Huiqun Yu , Guisheng Fan , Gaowei Zheng

The exponential growth of DNA sequencing data has outpaced traditional heuristic-based methods, which struggle to scale effectively. Efficient computational approaches are urgently needed to support large-scale similarity search, a…

Large-scale foundation models have demonstrated exceptional performance in language and vision tasks. However, the numerous dense matrix-vector operations involved in these large networks pose significant computational challenges during…

Machine Learning · Computer Science 2024-10-31 Changwoo Lee , Soo Min Kwon , Qing Qu , Hun-Seok Kim

We theorize that phylogenetic profiles provide a quantitative method that can relate the structural and functional properties of proteins, as well as their evolutionary relationships. A key feature of phylogenetic profiles is the…

Quantitative Methods · Quantitative Biology 2009-11-04 Yoojin Hong , Jaewoo Kang , Dongwon Lee , Randen L. Patterson , Damian B. van Rossum

Gene annotation has traditionally required direct comparison of DNA sequences between an unknown gene and a database of known ones using string comparison methods. However, these methods do not provide useful information when a gene does…

Machine Learning · Computer Science 2019-09-17 James K. Senter , Taylor M. Royalty , Andrew D. Steen , Amir Sadovnik

Inferring the structural properties of a protein from its amino acid sequence is a challenging yet important problem in biology. Structures are not known for the vast majority of protein sequences, but structure is critical for…

Machine Learning · Computer Science 2019-10-17 Tristan Bepler , Bonnie Berger

The domain of natural language processing (NLP), which has greatly evolved over the last years, has highly benefited from the recent developments in word and sentence embeddings. Such embeddings enable the transformation of complex NLP…

Computation and Language · Computer Science 2022-04-20 Spyros Zoupanos , Stratis Kolovos , Athanasios Kanavos , Orestis Papadimitriou , Manolis Maragoudakis

In recent years, deep metric learning has achieved promising results in learning high dimensional semantic feature embeddings where the spatial relationships of the feature vectors match the visual similarities of the images. Similarity…

Machine Learning · Computer Science 2019-09-25 Konstantin Schall , Kai Uwe Barthel , Nico Hezel , Klaus Jung

Recent computational advances in the accurate prediction of protein three-dimensional (3D) structures from amino acid sequences now present a unique opportunity to decipher the interrelationships between proteins. This task entails--but is…

Biomolecules · Quantitative Biology 2020-05-19 Menuka Jaiswal , Saad Saleem , Yonghyeon Kweon , Eli J Draizen , Stella Veretnik , Cameron Mura , Philip E. Bourne

Protein language models (pLMs) produce per-residue representations that capture evolutionary and structural information, yet their mean-pooled sequence embeddings are not explicitly trained to reflect functional, evolutionary or structural…

Machine Learning · Computer Science 2026-05-11 Dan Ofer , Oriel Perets , Michal Linial , Nadav Rappoport

Understanding the relationships between protein sequence, structure and function is a long-standing biological challenge with manifold implications from drug design to our understanding of evolution. Recently, protein language models have…

Quantitative Methods · Quantitative Biology 2024-01-29 Dexiong Chen , Philip Hartout , Paolo Pellizzoni , Carlos Oliver , Karsten Borgwardt

Proximities are at the heart of almost all machine learning methods. If the input data are given as numerical vectors of equal lengths, euclidean distance, or a Hilbertian inner product is frequently used in modeling algorithms. In a more…

Machine Learning · Computer Science 2020-09-01 Maximilian Münch , Michiel Straat , Michael Biehl , Frank-Michael Schleif

Recent years have witnessed increasing interests in prompt-based learning in which models can be trained on only a few annotated instances, making them suitable in low-resource settings. When using prompt-based learning for text…

Computation and Language · Computer Science 2023-05-11 Hongjing Li , Hanqi Yan , Yanran Li , Li Qian , Yulan He , Lin Gui

Large pre-trained sentence encoders like BERT start a new chapter in natural language processing. A common practice to apply pre-trained BERT to sequence classification tasks (e.g., classification of sentences or sentence pairs) is by…

Computation and Language · Computer Science 2020-02-26 Wenxuan Zhou , Junyi Du , Xiang Ren

Recent research investigates factual knowledge stored in large pretrained language models (PLMs). Instead of structural knowledge base (KB) queries, masked sentences such as "Paris is the capital of [MASK]" are used as probes. The good…

Computation and Language · Computer Science 2021-04-16 Philipp Dufter , Nora Kassner , Hinrich Schütze

The advent of highly accurate protein structure prediction methods has fueled an exponential expansion of the protein structure database. Consequently, there is a rising demand for rapid and precise structural homolog search. Traditional…

Biomolecules · Quantitative Biology 2023-12-01 Yuan Liu , Hong-Bin Shen

Despite the constant evolution of similarity searching research, it continues to face the same challenges stemming from the complexity of the data, such as the curse of dimensionality and computationally expensive distance functions.…

Information Retrieval · Computer Science 2022-10-06 Jaroslav Oľha , Terézia Slanináková , Martin Gendiar , Matej Antol , Vlastislav Dohnal

Semantically meaningful sentence embeddings are important for numerous tasks in natural language processing. To obtain such embeddings, recent studies explored the idea of utilizing synthetically generated data from pretrained language…

Computation and Language · Computer Science 2022-08-31 Taehee Kim , ChaeHun Park , Jimin Hong , Radhika Dua , Edward Choi , Jaegul Choo

Machine learning is widely used to analyze biological sequence data. Non-sequential models such as SVMs or feed-forward neural networks are often used although they have no natural way of handling sequences of varying length. Recurrent…

Quantitative Methods · Quantitative Biology 2016-03-14 Søren Kaae Sønderby , Casper Kaae Sønderby , Henrik Nielsen , Ole Winther

Sentence embeddings are crucial in measuring semantic similarity. Most recent studies employed large language models (LLMs) to learn sentence embeddings. Existing LLMs mainly adopted autoregressive architecture without explicit backward…

Computation and Language · Computer Science 2024-03-15 Xianming Li , Jing Li
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