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Despite their remarkable natural language understanding capabilities, Large Language Models (LLMs) have been underutilized for retrieval tasks. We present Search-R3, a novel framework that addresses this limitation by adapting LLMs to…

Computation and Language · Computer Science 2026-04-10 Yuntao Gui , James Cheng

Learning from 3D protein structures has gained wide interest in protein modeling and structural bioinformatics. Unfortunately, the number of available structures is orders of magnitude lower than the training data sizes commonly used in…

Biomolecules · Quantitative Biology 2022-06-01 Pedro Hermosilla , Timo Ropinski

Deep learning has become a crucial tool in studying proteins. While the significance of modeling protein structure has been discussed extensively in the literature, amino acid types are typically included in the input as a default operation…

Quantitative Methods · Quantitative Biology 2024-07-01 Yang Tan , Lirong Zheng , Bozitao Zhong , Liang Hong , Bingxin Zhou

Classical models for supervised machine learning, such as decision trees, are efficient and interpretable predictors, but their quality is highly dependent on the particular choice of input features. Although neural networks can learn…

Machine Learning · Computer Science 2025-10-17 Gabriel Poesia , Georgia Gabriela Sampaio

Less than 1% of protein sequences are structurally and functionally annotated. Natural Language Processing (NLP) community has recently embraced self-supervised learning as a powerful approach to learn representations from unlabeled text,…

Biomolecules · Quantitative Biology 2020-12-08 Modestas Filipavicius , Matteo Manica , Joris Cadow , Maria Rodriguez Martinez

On account of its many successes in inference tasks and denoising applications, Dictionary Learning (DL) and its related sparse optimization problems have garnered a lot of research interest. While most solutions have focused on single…

Machine Learning · Computer Science 2020-10-22 Wen Tang , Emilie Chouzenoux , Jean-Christophe Pesquet , Hamid Krim

We propose to pre-train a unified language model for both autoencoding and partially autoregressive language modeling tasks using a novel training procedure, referred to as a pseudo-masked language model (PMLM). Given an input text with…

Computation and Language · Computer Science 2020-03-02 Hangbo Bao , Li Dong , Furu Wei , Wenhui Wang , Nan Yang , Xiaodong Liu , Yu Wang , Songhao Piao , Jianfeng Gao , Ming Zhou , Hsiao-Wuen Hon

Protein language models are a powerful tool for learning protein representations through pre-training on vast protein sequence datasets. However, traditional protein language models lack explicit structural supervision, despite its…

Biomolecules · Quantitative Biology 2024-02-09 Zuobai Zhang , Jiarui Lu , Vijil Chenthamarakshan , Aurélie Lozano , Payel Das , Jian Tang

Effective protein representation learning is crucial for predicting protein functions. Traditional methods often pretrain protein language models on large, unlabeled amino acid sequences, followed by finetuning on labeled data. While…

Biomolecules · Quantitative Biology 2024-09-05 Jiangbin Zheng , Stan Z. Li

We explore optimally training protein language models, an area of significant interest in biological research where guidance on best practices is limited. Most models are trained with extensive compute resources until performance gains…

Machine Learning · Computer Science 2024-11-05 Xingyi Cheng , Bo Chen , Pan Li , Jing Gong , Jie Tang , Le Song

Learning neural program embeddings is key to utilizing deep neural networks in program languages research --- precise and efficient program representations enable the application of deep models to a wide range of program analysis tasks.…

Software Engineering · Computer Science 2019-07-12 Ke Wang , Zhendong Su

Foundational deep learning (DL) models are general models, trained on large, diverse, and unlabelled datasets, typically using self-supervised learning techniques have led to significant advancements especially in natural language…

Signal Processing · Electrical Eng. & Systems 2024-11-18 Ahmed Aboulfotouh , Ashkan Eshaghbeigi , Dimitrios Karslidis , Hatem Abou-Zeid

Representation learning for proteins has primarily focused on the global understanding of protein sequences regardless of their length. However, shorter proteins (known as peptides) take on distinct structures and functions compared to…

Quantitative Methods · Quantitative Biology 2022-11-15 Gil Sadeh , Zichen Wang , Jasleen Grewal , Huzefa Rangwala , Layne Price

Proteins are essential macromolecules defined by their amino acid sequences, which determine their three-dimensional structures and, consequently, their functions in all living organisms. Therefore, generative protein modeling necessitates…

Machine Learning · Computer Science 2024-10-18 Xinyou Wang , Zaixiang Zheng , Fei Ye , Dongyu Xue , Shujian Huang , Quanquan Gu

Developing new drugs is laborious and costly, demanding extensive time investment. In this paper, we introduce a de-novo drug design strategy, which harnesses the capabilities of language models to devise targeted drugs for specific…

Biomolecules · Quantitative Biology 2025-05-20 Salma J. Ahmed , Emad A. Mohammed

Protein sequences are abundant in repeating segments, both as exact copies and as approximate segments with mutations. These repeats are important for protein structure and function, motivating decades of algorithmic work on repeat…

Machine Learning · Computer Science 2026-05-26 Gal Pomerants , Yaniv Nikankin , Anja Reusch , Tomer Tsaban , Ora Schueler-Furman , Yonatan Belinkov

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

Deep learning (DL) methods are widely used to extract high-dimensional patterns from the sequence features of radar echo signals. However, conventional DL algorithms face challenges such as redundant feature segments, and constraints from…

Signal Processing · Electrical Eng. & Systems 2025-09-16 Qiying Hu , Linping Zhang , Xueqian Wang , Gang Li , Yu Liu , Xiao-Ping Zhang

With the exponential increase of the protein sequence databases over time, multiple-sequence alignment (MSA) methods, like PSI-BLAST, perform exhaustive and time-consuming database search to retrieve evolutionary information. The resulting…

Quantitative Methods · Quantitative Biology 2023-08-21 Issar Arab

Molecular property prediction is a crucial foundation for drug discovery. In recent years, pre-trained deep learning models have been widely applied to this task. Some approaches that incorporate prior biological domain knowledge into the…

Machine Learning · Computer Science 2024-08-20 Tianyu Zhang , Yuxiang Ren , Chengbin Hou , Hairong Lv , Xuegong Zhang
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