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Related papers: Structure-Aligned Protein Language Model

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Protein language models (PLMs) have revolutionised computational biology through their ability to generate powerful sequence representations for diverse prediction tasks. However, their black-box nature limits biological interpretation and…

Biomolecules · Quantitative Biology 2025-04-11 Jan van Eck , Dea Gogishvili , Wilson Silva , Sanne Abeln

While scaling laws have been continuously validated in large language models (LLMs) with increasing model parameters, the inherent tension between the inference demands of LLMs and the limited resources of edge devices poses a critical…

Multi-task learning for molecular property prediction is becoming increasingly important in drug discovery. However, in contrast to other domains, the performance of multi-task learning in drug discovery is still not satisfying as the…

Biomolecules · Quantitative Biology 2022-10-07 Shengchao Liu , Meng Qu , Zuobai Zhang , Huiyu Cai , Jian Tang

The prediction of amyloidogenicity in peptides and proteins remains a focal point of ongoing bioinformatics. The crucial step in this field is to apply advanced computational methodologies. Many recent approaches to predicting…

Machine Learning · Computer Science 2025-08-19 Zohra Yagoub , Hafida Bouziane

Identification of protein-protein interactions (PPIs) helps derive cellular mechanistic understanding, particularly in the context of complex conditions such as neurodegenerative disorders, metabolic syndromes, and cancer. Large Language…

Machine Learning · Computer Science 2025-08-18 Sanket Jantre , Tianle Wang , Gilchan Park , Kriti Chopra , Nicholas Jeon , Xiaoning Qian , Nathan M. Urban , Byung-Jun Yoon

Fine-tuning pre-trained language models (PLMs) has demonstrated its effectiveness on various downstream NLP tasks recently. However, in many low-resource scenarios, the conventional fine-tuning strategies cannot sufficiently capture the…

Computation and Language · Computer Science 2021-11-15 Yusheng Su , Xu Han , Yankai Lin , Zhengyan Zhang , Zhiyuan Liu , Peng Li , Jie Zhou , Maosong Sun

Recently developed deep learning techniques have significantly improved the accuracy of various speech and image recognition systems. In this paper we adapt some of these techniques for protein secondary structure prediction. We first train…

Machine Learning · Computer Science 2016-11-07 Akosua Busia , Jasmine Collins , Navdeep Jaitly

Protein-protein interactions (PPIs) are associated with various diseases, including cancer, infections, and neurodegenerative disorders. Obtaining three-dimensional structural information on these PPIs serves as a foundation to interfere…

Biomolecules · Quantitative Biology 2024-07-24 Xiaotong Xu , Alexandre M. J. J. Bonvin

Pre-trained models have been successful in many protein engineering tasks. Most notably, sequence-based models have achieved state-of-the-art performance on protein fitness prediction while structure-based models have been used…

Machine Learning · Computer Science 2023-07-25 Antonia Boca , Simon Mathis

At the intersection of the rapidly growing biological data landscape and advancements in Natural Language Processing (NLP), protein language models (PLMs) have emerged as a transformative force in modern research. These models have achieved…

Biomolecules · Quantitative Biology 2025-02-12 Lei Wang , Xudong Li , Han Zhang , Jinyi Wang , Dingkang Jiang , Zhidong Xue , Yan Wang

Product key memory (PKM) proposed by Lample et al. (2019) enables to improve prediction accuracy by increasing model capacity efficiently with insignificant computational overhead. However, their empirical application is only limited to…

Computation and Language · Computer Science 2020-10-09 Gyuwan Kim , Tae-Hwan Jung

Protein language models such as ESM-2 learn rich residue representations that achieve strong performance on protein function prediction, but their features remain difficult to interpret as structural $\&$ evolutionary signals are encoded in…

Machine Learning · Computer Science 2026-05-13 Siddhant Dutta , Edward Tan Beng Wai , Soumick Sarker , Pasan Gunawardane , Jagath C. Rajapakse

Proteins perform much of the work in living organisms, and consequently the development of efficient computational methods for protein representation is essential for advancing large-scale biological research. Most current approaches…

Quantitative Methods · Quantitative Biology 2023-06-09 Francesco Ceccarelli , Lorenzo Giusti , Sean B. Holden , Pietro Liò

Accurate prediction of enzymatic activity from amino acid sequences could drastically accelerate enzyme engineering for applications such as bioremediation and therapeutics development. In recent years, Protein Language Model (PLM)…

Quantitative Methods · Quantitative Biology 2025-05-07 Duncan F. Muir , Parker Grosjean , Margaux M. Pinney , Michael J. Keiser

Multilingual Large Language Models (LLMs) struggle with cross-lingual tasks due to data imbalances between high-resource and low-resource languages, as well as monolingual bias in pre-training. Existing methods, such as bilingual…

Computation and Language · Computer Science 2026-04-14 Weihua Zheng , Chang Liu , Zhengyuan Liu , Xin Huang , Kui Wu , Muhammad Huzaifah Md Shahrin , Aiti Aw , Roy Ka-Wei Lee

Protein sequence design, determined by amino acid sequences, are essential to protein engineering problems in drug discovery. Prior approaches have resorted to evolutionary strategies or Monte-Carlo methods for protein design, but often…

Large language models (LLMs) have garnered considerable attention for their proficiency in tackling intricate tasks, particularly leveraging their capacities for zero-shot and in-context learning. However, their utility has been…

Biomolecules · Quantitative Biology 2024-05-14 Yiqing Shen , Outongyi Lv , Houying Zhu , Yu Guang Wang

Large Language Models (LLMs) have demonstrated remarkable adaptability, showcasing their capacity to excel in tasks for which they were not explicitly trained. However, despite their impressive natural language processing (NLP)…

Computation and Language · Computer Science 2023-09-08 Supun Manathunga , Isuru Hettigoda

As Large Language Models (LLMs) become more widely adopted and scale up in size, the computational and memory challenges involved in deploying these massive foundation models have grown increasingly severe. This underscores the urgent need…

Machine Learning · Computer Science 2025-08-14 Omar Bazarbachi , Zijun Sun , Yanning Shen

We report a flexible language-model based deep learning strategy, applied here to solve complex forward and inverse problems in protein modeling, based on an attention neural network that integrates transformer and graph convolutional…

Biomolecules · Quantitative Biology 2023-10-20 Markus J. Buehler
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