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Protein language models (pLMs) have recently gained significant attention for their ability to uncover relationships between sequence, structure, and function from evolutionary statistics, thereby accelerating therapeutic drug discovery.…

Machine Learning · Computer Science 2026-03-04 Darshan Patil , Pranshu Malviya , Mathieu Reymond , Quentin Fournier , Sarath Chandar

Developing therapeutics is a lengthy and expensive process that requires the satisfaction of many different criteria, and AI models capable of expediting the process would be invaluable. However, the majority of current AI approaches…

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

Protein Language Models (PLMs), pre-trained on extensive evolutionary data from natural proteins, have emerged as indispensable tools for protein design. While powerful, PLMs often struggle to produce proteins with precisely specified…

Biomolecules · Quantitative Biology 2025-09-15 Long-Kai Huang , Rongyi Zhu , Bing He , Jianhua Yao

The reusability of state-of-the-art Pre-trained Language Models (PLMs) is often limited by their generalization problem, where their performance drastically decreases when evaluated on examples that differ from the training dataset, known…

Computation and Language · Computer Science 2023-08-09 Somayeh Ghanbarzadeh , Hamid Palangi , Yan Huang , Radames Cruz Moreno , Hamed Khanpour

Supervised fine-tuning (SFT) is a standard approach for adapting large language models to specialized domains, yet its application to protein sequence modeling and protein language models (PLMs) remains ad hoc. This is in part because…

Machine Learning · Computer Science 2025-12-11 Amin Tavakoli , Raswanth Murugan , Ozan Gokdemir , Arvind Ramanathan , Frances Arnold , Anima Anandkumar

Geometric deep learning has recently achieved great success in non-Euclidean domains, and learning on 3D structures of large biomolecules is emerging as a distinct research area. However, its efficacy is largely constrained due to the…

Machine Learning · Computer Science 2023-10-31 Fang Wu , Lirong Wu , Dragomir Radev , Jinbo Xu , Stan Z. Li

Protein language models (PLMs) have transformed sequence-based protein analysis, yet most applications rely only on final-layer embeddings, which may overlook biologically meaningful information encoded in earlier layers. We systematically…

Quantitative Methods · Quantitative Biology 2025-12-02 Ajit Kumar , IndraPrakash Jha

Large pretrained language models (PLMs) are often domain- or task-adapted via fine-tuning or prompting. Finetuning requires modifying all of the parameters and having enough data to avoid overfitting while prompting requires no training and…

Computation and Language · Computer Science 2022-07-11 Zejiang Hou , Julian Salazar , George Polovets

Protein language models have shown remarkable success in learning biological information from protein sequences. However, most existing models are limited by either autoencoding or autoregressive pre-training objectives, which makes them…

Quantitative Methods · Quantitative Biology 2024-12-10 Bo Chen , Xingyi Cheng , Pan Li , Yangli-ao Geng , Jing Gong , Shen Li , Zhilei Bei , Xu Tan , Boyan Wang , Xin Zeng , Chiming Liu , Aohan Zeng , Yuxiao Dong , Jie Tang , Le Song

In recent years, large language models (LLMs) have achieved remarkable success in natural language processing (NLP). LLMs require an extreme amount of parameters to attain high performance. As models grow into the trillion-parameter range,…

Computation and Language · Computer Science 2024-09-10 Zhyar Rzgar K Rostam , Sándor Szénási , Gábor Kertész

Performance modeling, a pivotal domain in program cost analysis, currently relies on manually crafted models constrained by various program and hardware limitations, especially in the intricate landscape of GPGPU. Meanwhile, Large Language…

Performance · Computer Science 2025-03-17 Khoi N. M. Nguyen , Hoang Duy Nguyen Do , Huyen Thao Le , Thanh Tuan Dao

Large Language Models (LLMs) have achieved remarkable success across diverse applications, yet their deployment remains challenging due to substantial computational costs, memory requirements, and energy consumption. Recent empirical…

Machine Learning · Computer Science 2026-03-24 Kaito Tanaka , Masato Ito , Yuji Nishimura , Keisuke Matsuda , Aya Nakayama

This paper explores the efficacy of large language models (LLMs) for Persian. While ChatGPT and consequent LLMs have shown remarkable performance in English, their efficiency for more low-resource languages remains an open question. We…

Unlocking the next generation of biotechnology and therapeutic innovation demands overcoming the inherent complexity and resource-intensity of conventional protein engineering methods. Recent GenAI-powered computational techniques often…

Recent advancements in specialized large-scale architectures for training image and language have profoundly impacted the field of computer vision and natural language processing (NLP). Language models, such as the recent ChatGPT and GPT4…

Biomolecules · Quantitative Biology 2023-05-04 Sergio Romero-Romero , Sebastian Lindner , Noelia Ferruz

Large language models have emerged as a promising approach towards achieving general-purpose AI agents. The thriving open-source LLM community has greatly accelerated the development of agents that support human-machine dialogue interaction…

Computer Vision and Pattern Recognition · Computer Science 2023-11-07 Zhenfei Yin , Jiong Wang , Jianjian Cao , Zhelun Shi , Dingning Liu , Mukai Li , Lu Sheng , Lei Bai , Xiaoshui Huang , Zhiyong Wang , Jing Shao , Wanli Ouyang

Large language models (LLMs) are computationally intensive. The computation workload and the memory footprint grow quadratically with the dimension (layer width). Most of LLMs' parameters come from the linear layers of the transformer…

Machine Learning · Computer Science 2024-02-22 Xiao-Yang Liu , Jie Zhang , Guoxuan Wang , Weiqing Tong , Anwar Walid

The emergence of Large Language Models (LLMs) has fundamentally transformed natural language processing, making them indispensable across domains ranging from conversational systems to scientific exploration. However, their pre-trained…

Protein is linked to almost every life process. Therefore, analyzing the biological structure and property of protein sequences is critical to the exploration of life, as well as disease detection and drug discovery. Traditional protein…

Machine Learning · Computer Science 2021-12-08 Yijia Xiao , Jiezhong Qiu , Ziang Li , Chang-Yu Hsieh , Jie Tang