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Related papers: A PLMs based protein retrieval framework

200 papers

Drug discovery represents a time-consuming and financially intensive process, and virtual screening can accelerate it. Scoring functions, as one of the tools guiding virtual screening, have their precision closely tied to screening…

Machine Learning · Computer Science 2026-01-13 Haotian Gao , Xiangying Zhang , Jingyuan Li , Xinchong Chen , Haojie Wang , Yifei Qi , Renxiao Wang

Existing Protein Language Models (PLMs) often suffer from limited adaptability to multiple tasks and exhibit poor generalization across diverse biological contexts. In contrast, general-purpose Large Language Models (LLMs) lack the…

Machine Learning · Computer Science 2026-02-23 Yujia Wang , Jihong Guan , Wengen Li , Shuigeng Zhou , Xuhong Wang

Natural language processing (NLP) has significantly influenced scientific domains beyond human language, including protein engineering, where pre-trained protein language models (PLMs) have demonstrated remarkable success. However,…

Computation and Language · Computer Science 2025-03-20 Yang Tan , Chen Liu , Jingyuan Gao , Banghao Wu , Mingchen Li , Ruilin Wang , Lingrong Zhang , Huiqun Yu , Guisheng Fan , Liang Hong , Bingxin Zhou

Recently multi-lingual pre-trained language models (PLM) such as mBERT and XLM-R have achieved impressive strides in cross-lingual dense retrieval. Despite its successes, they are general-purpose PLM while the multilingual PLM tailored for…

Computation and Language · Computer Science 2025-09-08 Shunyu Zhang , Yaobo Liang , Ming Gong , Daxin Jiang , Nan Duan

Scientific paper retrieval is essential for supporting literature discovery and research. While dense retrieval methods demonstrate effectiveness in general-purpose tasks, they often fail to capture fine-grained scientific concepts that are…

Information Retrieval · Computer Science 2025-10-07 Yunyi Zhang , Ruozhen Yang , Siqi Jiao , SeongKu Kang , Jiawei Han

This paper presents a new, parallel implementation of clustering and demonstrates its utility in greatly speeding up the process of identifying homologous proteins. Clustering is a technique to reduce the number of comparison needed to find…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-08-29 Stuart Byma , Akash Dhasade , Adrian Altenhoff , Christophe Dessimoz , James R. Larus

We propose ProtLLM, a versatile cross-modal large language model (LLM) for both protein-centric and protein-language tasks. ProtLLM features a unique dynamic protein mounting mechanism, enabling it to handle complex inputs where the natural…

Biomolecules · Quantitative Biology 2024-03-14 Le Zhuo , Zewen Chi , Minghao Xu , Heyan Huang , Heqi Zheng , Conghui He , Xian-Ling Mao , Wentao Zhang

Protein language models (PLMs) have advanced computational protein science through large-scale pretraining and scalable architectures. In parallel, reinforcement learning (RL) has broadened exploration and enabled precise multi-objective…

The emergence of large language models (LLMs) has revolutionized machine learning and related fields, showcasing remarkable abilities in comprehending, generating, and manipulating human language. However, their conventional usage through…

Computation and Language · Computer Science 2024-04-18 Andrea Bacciu , Florin Cuconasu , Federico Siciliano , Fabrizio Silvestri , Nicola Tonellotto , Giovanni Trappolini

A plethora of protein language models have been released in recent years. Yet comparatively little work has addressed how to best sample from them to optimize desired biological properties. We fill this gap by proposing a flexible,…

Machine Learning · Computer Science 2026-05-08 Calvin McCarter , Nick Bhattacharya , Sebastian W. Ober , Hunter Elliott

Background: Conducting Multi Vocal Literature Reviews (MVLRs) is often time and effort-intensive. Researchers must review and filter a large number of unstructured sources, which frequently contain sparse information and are unlikely to be…

Software Engineering · Computer Science 2025-09-17 Santiago Matalonga , Domenico Amalfitano , Jean Carlo Rossa Hauck , Martín Solari , Guilherme H. Travassos

Numerous machine learning (ML) models employed in protein function and structure prediction depend on evolutionary information, which is captured through multiple-sequence alignments (MSA) or position-specific scoring matrices (PSSM) as…

Computational Engineering, Finance, and Science · Computer Science 2024-01-17 Issar Arab

In this paper, we address the problem of identifying protein functionality using the information contained in its aminoacid sequence. We propose a method to define sequence similarity relationships that can be used as input for…

Applications · Statistics 2007-11-12 A. G. Flesia , R. Fraiman , F. G. Leonardi

Protein representation learning is critical for numerous biological tasks. Recently, large transformer-based protein language models (pLMs) pretrained on large scale protein sequences have demonstrated significant success in sequence-based…

Machine Learning · Computer Science 2025-08-12 Xuefeng Liu , Songhao Jiang , Chih-chan Tien , Jinbo Xu , Rick Stevens

In the field of language modeling, models augmented with retrieval components have emerged as a promising solution to address several challenges faced in the natural language processing (NLP) field, including knowledge grounding,…

Machine Learning · Computer Science 2024-10-22 To Eun Kim , Alireza Salemi , Andrew Drozdov , Fernando Diaz , Hamed Zamani

Biomedical queries often rely on a deep understanding of specialized knowledge such as gene regulatory mechanisms and pathological processes of diseases. They require detailed analysis of complex physiological processes and effective…

Computation and Language · Computer Science 2026-02-02 Congying Liu , Xingyuan Wei , Peipei Liu , Yiqing Shen , Yanxu Mao , Tiehan Cui

Efficient semantic access to industrial product data is a key enabler for factory automation and emerging LLM-based agent workflows, where both human engineers and autonomous agents must identify suitable components from highly structured…

Information Retrieval · Computer Science 2026-04-22 Nico Baumgart , Markus Lange-Hegermann , Jan Henze

Background: The inception of next generations sequencing technologies have exponentially increased the volume of biological sequence data. Protein sequences, being quoted as the `language of life', has been analyzed for a multitude of…

Quantitative Methods · Quantitative Biology 2020-12-08 Nabil Ibtehaz , S. M. Shakhawat Hossain Sourav , Md. Shamsuzzoha Bayzid , M. Sohel Rahman

This paper presents a hybrid system for intuitive item similarity search that combines a Large Language Model (LLM) with a custom K-Nearest Neighbors (KNN) algorithm. Unlike black-box dense vector systems, this architecture provides…

Information Retrieval · Computer Science 2025-09-29 Ana Rodrigues , João Mata , Rui Rego

Retrieving molecular structures from tandem mass spectra is a crucial step in rapid compound identification. Existing retrieval methods, such as traditional mass spectral library matching, suffer from limited spectral library coverage,…

Machine Learning · Computer Science 2025-11-11 Yiwen Zhang , Keyan Ding , Yihang Wu , Xiang Zhuang , Yi Yang , Qiang Zhang , Huajun Chen
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