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Learning computational fluid dynamics (CFD) traditionally relies on computationally intensive simulations of the Navier-Stokes equations. Recently, large language models (LLMs) have shown remarkable pattern recognition and reasoning…

Machine Learning · Computer Science 2024-06-10 Max Zhu , Adrián Bazaga , Pietro Liò

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

Large language models (LLMs) process and predict sequences containing text to answer questions, and address tasks including document summarization, providing recommendations, writing software and solving quantitative problems. We provide a…

Numerical Analysis · Mathematics 2026-02-02 Ricardo Baptista , Andrew Stuart , Son Tran

Large Language Models (LLMs) fine-tuned for specific domains exhibit strong performance; however, the underlying mechanisms by which this fine-tuning reshapes their parametric space are not well understood. Prior works primarily focus on…

Computation and Language · Computer Science 2025-10-13 Eshaan Tanwar , Deepak Nathani , William Yang Wang , Tanmoy Chakraborty

Recent advancements in deep learning, particularly large language models (LLMs), made a significant impact on how researchers study microbiome and metagenomics data. Microbial protein and genomic sequences, like natural languages, form a…

Quantitative Methods · Quantitative Biology 2024-09-18 Binghao Yan , Yunbi Nam , Lingyao Li , Rebecca A. Deek , Hongzhe Li , Siyuan Ma

Based on the foundation of Large Language Models (LLMs), Multilingual LLMs (MLLMs) have been developed to address the challenges faced in multilingual natural language processing, hoping to achieve knowledge transfer from high-resource…

Computation and Language · Computer Science 2024-12-10 Yuemei Xu , Ling Hu , Jiayi Zhao , Zihan Qiu , Kexin XU , Yuqi Ye , Hanwen Gu

Large Language Models (LLMs) have demonstrated their transformative potential across numerous disciplinary studies, reshaping the existing research methodologies and fostering interdisciplinary collaboration. However, a systematic…

Computation and Language · Computer Science 2025-07-14 Lu Xiang , Yang Zhao , Yaping Zhang , Chengqing Zong

Large Language Models (LLMs) have demonstrated the ability to solve complex tasks through In-Context Learning (ICL), where models learn from a few input-output pairs without explicit fine-tuning. In this paper, we explore the capacity of…

Machine Learning · Computer Science 2024-11-26 Paimon Goulart , Evangelos E. Papalexakis

Large language models are powerful but costly. We ask whether meta-learning can make the pretraining of small language models not only better but also more interpretable. We integrate first-order MAML with subset-masked LM pretraining,…

Computation and Language · Computer Science 2025-11-10 David Demitri Africa , Yuval Weiss , Paula Buttery , Richard Diehl Martinez

The burgeoning interest in developing Large Language Models (LLMs) with up to trillion parameters has been met with concerns regarding resource efficiency and practical expense, particularly given the immense cost of experimentation. This…

Large Language Models (LLMs) have demonstrated exceptional performance in biochemical tasks, especially the molecule caption translation task, which aims to bridge the gap between molecules and natural language texts. However, previous…

Computation and Language · Computer Science 2025-04-08 Jiatong Li , Wei Liu , Zhihao Ding , Wenqi Fan , Yuqiang Li , Qing Li

Molecular Dynamics (MD) is a powerful computational microscope for probing protein functions. However, the need for fine-grained integration and the long timescales of biomolecular events make MD computationally expensive. To address this,…

Machine Learning · Computer Science 2026-03-30 Kacper Kapuśniak , Cristian Gabellini , Michael Bronstein , Prudencio Tossou , Francesco Di Giovanni

The recent success of large language models (LLMs) trained on static, pre-collected, general datasets has sparked numerous research directions and applications. One such direction addresses the non-trivial challenge of integrating…

Machine Learning · Computer Science 2024-11-26 Haizhou Shi , Zihao Xu , Hengyi Wang , Weiyi Qin , Wenyuan Wang , Yibin Wang , Zifeng Wang , Sayna Ebrahimi , Hao Wang

Large language models (LLM) are advanced AI systems trained on extensive textual data, leveraging deep learning techniques to understand and generate human-like language. Today's LLMs with billions of parameters are so huge that hardly any…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-10-14 Sheikh Azizul Hakim , Saem Hasan

In recent years, large language models have had a very impressive performance, which largely contributed to the development and application of artificial intelligence, and the parameters and performance of the models are still growing…

Machine Learning · Computer Science 2025-01-10 Xuran Zheng , Chang D. Yoo

In recent years, Large Language Models (LLMs) have emerged as a prominent area of interest across various research domains, including Process Mining (PM). Current applications in PM have predominantly centered on prompt engineering…

Computation and Language · Computer Science 2025-09-04 Rafael Seidi Oyamada , Jari Peeperkorn , Jochen De Weerdt , Johannes De Smedt

Large language models are deep learning models with a large number of parameters. The models made noticeable progress on a large number of tasks, and as a consequence allowing them to serve as valuable and versatile tools for a diverse…

Software Engineering · Computer Science 2023-04-11 Maxim Vidgof , Stefan Bachhofner , Jan Mendling

Large language models (LLMs) are effective at capturing complex, valuable conceptual representations from textual data for a wide range of real-world applications. However, in fields like Intelligent Fault Diagnosis (IFD), incorporating…

Artificial Intelligence · Computer Science 2024-12-03 Hamzah A. A. M. Qaid , Bo Zhang , Dan Li , See-Kiong Ng , Wei Li

Machine learning (ML)-guided directed evolution is a new paradigm for biological design that enables optimization of complex functions. ML methods use data to predict how sequence maps to function without requiring a detailed model of the…

Biomolecules · Quantitative Biology 2019-04-23 Kevin K. Yang , Zachary Wu , Frances H. Arnold

Large language models (LLMs) can capture rich representations of concepts that are useful for real-world tasks. However, language alone is limited. While existing LLMs excel at text-based inferences, health applications require that models…

Computation and Language · Computer Science 2023-05-26 Xin Liu , Daniel McDuff , Geza Kovacs , Isaac Galatzer-Levy , Jacob Sunshine , Jiening Zhan , Ming-Zher Poh , Shun Liao , Paolo Di Achille , Shwetak Patel
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