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Parameter-Efficient Fine-Tuning (PEFT) is widely used for adapting Large Language Models (LLMs) for various tasks. Recently, there has been an increasing demand for fine-tuning a single LLM for multiple tasks because it requires overall…

Computation and Language · Computer Science 2026-05-15 Anjir Ahmed Chowdhury , Syed Zawad , Xiaolong Ma , Xu Dong , Feng Yan

Goal-oriented de novo molecule design, namely generating molecules with specific property or substructure constraints, is a crucial yet challenging task in drug discovery. Existing methods, such as Bayesian optimization and reinforcement…

Computational Engineering, Finance, and Science · Computer Science 2025-02-28 Chuanliu Fan , Ziqiang Cao , Zicheng Ma , Nan Yu , Yimin Peng , Jun Zhang , Yiqin Gao , Guohong Fu

Understanding biological processes, drug development, and biotechnological advancements requires a detailed analysis of protein structures and functions, a task that is inherently complex and time-consuming in traditional protein research.…

Artificial Intelligence · Computer Science 2025-04-21 Yijia Xiao , Edward Sun , Yiqiao Jin , Qifan Wang , Wei Wang

Pre-trained large language models (PLMs) underlie most new developments in natural language processing. They have shifted the field from application-specific model pipelines to a single model that is adapted to a wide range of tasks.…

Computation and Language · Computer Science 2023-06-30 Joshua Maynez , Priyanka Agrawal , Sebastian Gehrmann

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

Proteins, as essential biomolecules, play a central role in biological processes, including metabolic reactions and DNA replication. Accurate prediction of their properties and functions is crucial in biological applications. Recent…

Computation and Language · Computer Science 2025-05-30 Wei Wu , Chao Wang , Liyi Chen , Mingze Yin , Yiheng Zhu , Kun Fu , Jieping Ye , Hui Xiong , Zheng Wang

We introduce a novel continued pre-training method, MELT (MatEriaLs-aware continued pre-Training), specifically designed to efficiently adapt the pre-trained language models (PLMs) for materials science. Unlike previous adaptation…

Computation and Language · Computer Science 2024-10-22 Junho Kim , Yeachan Kim , Jun-Hyung Park , Yerim Oh , Suho Kim , SangKeun Lee

Pre-trained Language Model (PLM) has become a representative foundation model in the natural language processing field. Most PLMs are trained with linguistic-agnostic pre-training tasks on the surface form of the text, such as the masked…

Computation and Language · Computer Science 2022-11-11 Yiming Cui , Wanxiang Che , Shijin Wang , Ting Liu

We demonstrate the ability of large language models (LLMs) to perform material and molecular property regression tasks, a significant deviation from the conventional LLM use case. We benchmark the Large Language Model Meta AI (LLaMA) 3 on…

Materials Science · Physics 2026-04-22 Ryan Jacobs , Maciej P. Polak , Lane E. Schultz , Hamed Mahdavi , Vasant Honavar , Dane Morgan

Large Language Models (LLMs), with their remarkable task-handling capabilities and innovative outputs, have catalyzed significant advancements across a spectrum of fields. However, their proficiency within specialized domains such as…

Quantitative Methods · Quantitative Biology 2024-03-05 Yin Fang , Xiaozhuan Liang , Ningyu Zhang , Kangwei Liu , Rui Huang , Zhuo Chen , Xiaohui Fan , Huajun Chen

Large Language Models (LLMs) are increasingly adopted for complex scientific text generation tasks, yet they often suffer from limitations in accuracy, consistency, and hallucination control. This thesis introduces a Parameter-Efficient…

Computation and Language · Computer Science 2024-11-12 Daniil Sulimov

Parameter Efficient Finetuning (PEFT) has emerged as a viable solution for improving the performance of Large Language Models (LLMs) without requiring massive resources and compute. Prior work on multilingual evaluation has shown that there…

Computation and Language · Computer Science 2024-07-23 Divyanshu Aggarwal , Ashutosh Sathe , Ishaan Watts , Sunayana Sitaram

Large Language Models (LLMs), particularly those similar to ChatGPT, have significantly influenced the field of Natural Language Processing (NLP). While these models excel in general language tasks, their performance in domain-specific…

Computation and Language · Computer Science 2024-01-02 Omid Rohanian , Mohammadmahdi Nouriborji , David A. Clifton

Large models such as Large Language Models (LLMs) and Vision Language Models (VLMs) have transformed artificial intelligence, powering applications in natural language processing, computer vision, and multimodal learning. However, fully…

In recent years, the size of pre-trained language models (PLMs) has grown by leaps and bounds. However, efficiency issues of these large-scale PLMs limit their utilization in real-world scenarios. We present a suite of cost-effective…

With the continuous growth in the number of parameters of transformer-based pretrained language models (PLMs), particularly the emergence of large language models (LLMs) with billions of parameters, many natural language processing (NLP)…

Computation and Language · Computer Science 2023-12-20 Lingling Xu , Haoran Xie , Si-Zhao Joe Qin , Xiaohui Tao , Fu Lee Wang

Large language models (LLMs) demonstrate impressive capabilities to generate accurate code snippets given natural language intents in a zero-shot manner, i.e., without the need for specific fine-tuning. While prior studies have highlighted…

Software Engineering · Computer Science 2024-12-30 Martin Weyssow , Xin Zhou , Kisub Kim , David Lo , Houari Sahraoui

In order for large language model (LLM)-based assistants to effectively adapt to evolving information needs, it must be possible to update their factual knowledge through continued training on new data. The standard recipe for doing so…

Computation and Language · Computer Science 2024-05-28 Zhengbao Jiang , Zhiqing Sun , Weijia Shi , Pedro Rodriguez , Chunting Zhou , Graham Neubig , Xi Victoria Lin , Wen-tau Yih , Srinivasan Iyer

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

Multilingual Pre-trained Language models (multiPLMs), trained on the Masked Language Modelling (MLM) objective are commonly being used for cross-lingual tasks such as bitext mining. However, the performance of these models is still…

Computation and Language · Computer Science 2025-01-13 Aloka Fernando , Surangika Ranathunga
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