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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

Fine-tuning large language models (LLMs) aims to adapt pre-trained models to specific tasks using relatively small and domain-specific datasets. Among Parameter-Efficient Fine-Tuning (PEFT) methods, Low-Rank Adaptation (LoRA) stands out by…

Computation and Language · Computer Science 2026-04-16 Yarui Cao , Kai Liu

Fine-tuning large language models (LLMs) with high parameter efficiency for downstream tasks has become a new paradigm. Low-Rank Adaptation (LoRA) significantly reduces the number of trainable parameters for fine-tuning. Although it has…

Computation and Language · Computer Science 2024-08-14 Jia-Chen Zhang , Yu-Jie Xiong , He-Xi Qiu , Dong-Hai Zhu , Chun-Ming Xia

The machine learning community has witnessed impressive advancements since large language models (LLMs) first appeared. Yet, their massive memory consumption has become a significant roadblock to large-scale training. For instance, a 7B…

Machine Learning · Computer Science 2024-12-30 Rui Pan , Xiang Liu , Shizhe Diao , Renjie Pi , Jipeng Zhang , Chi Han , Tong Zhang

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

Fueled by their remarkable ability to tackle diverse tasks across multiple domains, large language models (LLMs) have grown at an unprecedented rate, with some recent models containing trillions of parameters. This growth is accompanied by…

Machine Learning · Computer Science 2025-05-30 Athanasios Glentis , Jiaxiang Li , Qiulin Shang , Andi Han , Ioannis Tsaknakis , Quan Wei , Mingyi Hong

This study proposes a large language model optimization method based on the improved LoRA fine-tuning algorithm, aiming to improve the accuracy and computational efficiency of the model in natural language processing tasks. We fine-tune the…

Computation and Language · Computer Science 2024-12-30 Jiacheng Hu , Xiaoxuan Liao , Jia Gao , Zhen Qi , Hongye Zheng , Chihang Wang

Reasoning models leverage inference-time compute to significantly enhance the performance of language models on difficult logical tasks, and have become a dominating paradigm in frontier LLMs. Despite their wide adoption, the mechanisms…

Machine Learning · Computer Science 2025-11-11 Jake Ward , Paul Riechers , Adam Shai

There is a growing concern about the environmental impact of large language models (LLMs) in software development, particularly due to their high energy use and carbon footprint. Small Language Models (SLMs) offer a more sustainable…

Software Engineering · Computer Science 2025-10-08 Humza Ashraf , Syed Muhammad Danish , Shadikur Rahman , Zeeshan Sattar

Protein language models (PLMs) have advanced computational protein science through large-scale pretraining and scalable architectures. In parallel, reinforcement learning (RL) has broadened exploration and enabled precise multi-objective…

Fine-tuning helps large language models (LLM) recover degraded information and enhance task performance. Although Low-Rank Adaptation (LoRA) is widely used and effective for fine-tuning, we have observed that its scaling factor can limit or…

Machine Learning · Computer Science 2025-01-14 Jun Liu , Zhenglun Kong , Peiyan Dong , Changdi Yang , Xuan Shen , Pu Zhao , Hao Tang , Geng Yuan , Wei Niu , Wenbin Zhang , Xue Lin , Dong Huang , Yanzhi Wang

Current Large Language Models (LLMs) for understanding proteins primarily treats amino acid sequences as a text modality. Meanwhile, Protein Language Models (PLMs), such as ESM-2, have learned massive sequential evolutionary knowledge from…

Machine Learning · Computer Science 2024-12-17 Nuowei Liu , Changzhi Sun , Tao Ji , Junfeng Tian , Jianxin Tang , Yuanbin Wu , Man Lan

The power of large language models (LLMs) has been demonstrated through numerous data and computing resources. However, the application of language models on mobile devices is facing huge challenge on the computation and memory costs, that…

Computation and Language · Computer Science 2025-04-04 Yehui Tang , Kai Han , Fangcheng Liu , Yunsheng Ni , Yuchuan Tian , Zheyuan Bai , Yi-Qi Hu , Sichao Liu , Shangling Jui , Yunhe Wang

Cloud-based large language models (LLMs) and their variants have significantly influenced real-world applications. Deploying smaller models (i.e., small language models (SLMs)) on edge devices offers additional advantages, such as reduced…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-11-18 Md Romyull Islam , Bobin Deng , Nobel Dhar , Tu N. Nguyen , Selena He , Yong Shi , Kun Suo

Large Language Models (LLMs), such as LLaMA and T5, have shown exceptional performance across various tasks through fine-tuning. Although low-rank adaption (LoRA) has emerged to cheaply fine-tune these LLMs on downstream tasks, their…

Machine Learning · Computer Science 2024-08-08 Mingyang Zhang , Hao Chen , Chunhua Shen , Zhen Yang , Linlin Ou , Xinyi Yu , Bohan Zhuang

Low-Rank Adaptation (LoRA) is one of the most widely used techniques for fine-tuning large language models (LLMs). By introducing a small number of trainable low-rank weight matrices, LoRA substantially reduces the number of parameters that…

Machine Learning · Computer Science 2025-07-15 Seokmin Ko

The advent of large language models (LLMs) has revolutionized natural language processing, enabling unprecedented capabilities in understanding and generating human-like text. However, the computational cost and convergence times associated…

Computation and Language · Computer Science 2024-11-26 Kerim Büyükakyüz

Large protein language models are adept at capturing the underlying evolutionary information in primary structures, offering significant practical value for protein engineering. Compared to natural language models, protein amino acid…

Computation and Language · Computer Science 2023-10-27 Yang Tan , Mingchen Li , Pan Tan , Ziyi Zhou , Huiqun Yu , Guisheng Fan , Liang Hong

Data in biology is redundant, noisy, and sparse. How does the type and scale of available data impact model performance? In this work, we specifically investigate how protein language models (pLMs) scale with increasing pretraining data. We…

Quantitative Methods · Quantitative Biology 2025-07-31 Aviv Spinner , Erika DeBenedictis , Corey M. Hudson

The scaling law of Large Language Models (LLMs) reveals a power-law relationship, showing diminishing return on performance as model scale increases. While training LLMs from scratch is resource-intensive, fine-tuning a pre-trained model…

Computation and Language · Computer Science 2025-05-22 Yiyun Zhou , Chang Yao , Jingyuan Chen