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Large Language models (LLMs) have emerged as powerful tools for addressing challenges across diverse domains. Notably, recent studies have demonstrated that large language models significantly enhance the efficiency of biomolecular analysis…

Computation and Language · Computer Science 2025-03-07 Jiyue Jiang , Zikang Wang , Yuheng Shan , Heyan Chai , Jiayi Li , Zixian Ma , Xinrui Zhang , Yu Li

Large language models are trained on massive scrapes of the web, as required by current scaling laws. Most progress is made for English, given its abundance of high-quality pretraining data. For most other languages, however, such high…

Computation and Language · Computer Science 2025-02-07 Skyler Seto , Maartje ter Hoeve , Richard He Bai , Natalie Schluter , David Grangier

As in many other scientific domains, we face a fundamental problem when using machine learning to identify proteins from mass spectrometry data: large ground truth datasets mapping inputs to correct outputs are extremely difficult to…

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

Training models that are robust to data domain shift has gained an increasing interest both in academia and industry. Question-Answering language models, being one of the typical problem in Natural Language Processing (NLP) research, has…

Computation and Language · Computer Science 2022-06-27 Shubham Shrivastava , Kaiyue Wang

MOTIVATION: Proteins fold into complex structures that are crucial for their biological functions. Experimental determination of protein structures is costly and therefore limited to a small fraction of all known proteins. Hence, different…

Biomolecules · Quantitative Biology 2018-04-18 David Menéndez Hurtado , Karolis Uziela , Arne Elofsson

Generative modeling has become a central paradigm in protein research, extending machine learning beyond structure prediction toward sequence design, backbone generation, inverse folding, and biomolecular interaction modeling. However, the…

Machine Learning · Computer Science 2026-03-30 Senura Hansaja Wanasekara , Minh-Duong Nguyen , Xiaochen Liu , Nguyen H. Tran , Ken-Tye Yong

The search of information in large text repositories has been plagued by the so-called document-query vocabulary gap, i.e. the semantic discordance between the contents in the stored document entities on the one hand and the human query on…

Information Retrieval · Computer Science 2020-04-22 Bhawani Selvaretnam , Mohammed Belkhatir

Deciphering the function of unseen protein sequences is a fundamental challenge with broad scientific impact, yet most existing methods depend on task-specific adapters or large-scale supervised fine-tuning. We introduce the…

Machine Learning · Computer Science 2025-10-14 Xinhui Chen , Zuchao Li , Mengqi Gao , Yufeng Zhang , Chak Tou Leong , Haoyang Li , Jiaqi Chen

Pre-trained language models have recently emerged as a powerful tool for fine-tuning a variety of language tasks. Ideally, when models are pre-trained on large amount of data, they are expected to gain implicit knowledge. In this paper, we…

Computation and Language · Computer Science 2023-06-22 Mohamad Ballout , Ulf Krumnack , Gunther Heidemann , Kai-Uwe Kühnberger

Large language models (LLMs) are a class of artificial intelligence models based on deep learning, which have great performance in various tasks, especially in natural language processing (NLP). Large language models typically consist of…

Quantitative Methods · Quantitative Biology 2025-02-04 Jiajia Liu , Mengyuan Yang , Yankai Yu , Haixia Xu , Tiangang Wang , Kang Li , Xiaobo Zhou

Master equations are of fundamental importance in modeling stochastic dynamical systems.However, solving master equations is challenging due to the exponential increase in the number of possible states or trajectories with the dimension of…

Machine Learning · Computer Science 2024-02-27 Chuanbo Liu , Jin Wang

Protein-specific large language models (Protein LLMs) are revolutionizing protein science by enabling more efficient protein structure prediction, function annotation, and design. While existing surveys focus on specific aspects or…

Protein language models have excelled in a variety of tasks, ranging from structure prediction to protein engineering. However, proteins are highly diverse in functions and structures, and current state-of-the-art models including the…

Biomolecules · Quantitative Biology 2023-02-27 Chang Ma , Haiteng Zhao , Lin Zheng , Jiayi Xin , Qintong Li , Lijun Wu , Zhihong Deng , Yang Lu , Qi Liu , Lingpeng Kong

Recent work on extending coreference resolution across domains and languages relies on annotated data in both the target domain and language. At the same time, pre-trained large language models (LMs) have been reported to exhibit strong…

Computation and Language · Computer Science 2023-11-16 Nghia T. Le , Alan Ritter

The recent surge of generative AI has been fueled by the generative power of diffusion probabilistic models and the scalable capabilities of large language models. Despite their potential, it remains elusive whether diffusion language…

Computation and Language · Computer Science 2025-02-25 Jiasheng Ye , Zaixiang Zheng , Yu Bao , Lihua Qian , Quanquan Gu

In this study, we expand upon the FLIP benchmark-designed for evaluating protein fitness prediction models in small, specialized prediction tasks-by assessing the performance of state-of-the-art large protein language models, including…

Machine Learning · Computer Science 2025-01-31 Manuel F. Mollon , Joaquin Gonzalez-Rodriguez , Alicia Lozano-Diez , Daniel Ramos , Doroteo T. Toledano

In recent years, large pre-trained language models (LLMs) have demonstrated the ability to follow instructions and perform novel tasks from a few examples. The possibility to parameterise an LLM through such in-context examples widens their…

Machine Learning · Computer Science 2023-05-10 Imanol Schlag , Sainbayar Sukhbaatar , Asli Celikyilmaz , Wen-tau Yih , Jason Weston , Jürgen Schmidhuber , Xian Li

Developing accurate and efficient coarse-grained representations of proteins is crucial for understanding their folding, function, and interactions over extended timescales. Our methodology involves simulating proteins with molecular…

Biomolecules · Quantitative Biology 2023-10-11 Carles Navarro , Maciej Majewski , Gianni de Fabritiis

More often than not in benchmark supervised ML, tabular data is flat, i.e. consists of a single $m \times d$ (rows, columns) file, but cases abound in the real world where observations are described by a set of tables with structural…

Machine Learning · Computer Science 2024-02-26 Mathieu Guillame-Bert , Richard Nock