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As an intriguing case is the goodness of the machine and deep learning models generated by these LLMs in conducting automated scientific data analysis, where a data analyst may not have enough expertise in manually coding and optimizing…

Artificial Intelligence · Computer Science 2024-12-02 Saroj Gopali , Sima Siami-Namini , Faranak Abri , Akbar Siami Namin

Accurate estimation of project costs and durations remains a pivotal challenge in software engineering, directly impacting budgeting and resource management. Traditional estimation techniques, although widely utilized, often fall short due…

Software Engineering · Computer Science 2024-09-17 Justin Carpenter , Chia-Ying Wu , Nasir U. Eisty

Large Language Models (LLMs) have the potential to accelerate small molecule drug design due to their ability to reason about information from diverse sources and formats. However, their practical utility remains unclear due to the lack of…

Large Language Models (LLMs) represent a class of deep learning models adept at understanding natural language and generating coherent responses to various prompts or queries. These models far exceed the complexity of conventional neural…

Machine Learning · Computer Science 2024-12-05 Minghao Shao , Abdul Basit , Ramesh Karri , Muhammad Shafique

Vector embeddings derived from large language models (LLMs) show promise in capturing latent information from the literature. Interestingly, these can be integrated into material embeddings, potentially useful for data-driven predictions of…

Computation and Language · Computer Science 2024-09-19 Luke P. J. Gilligan , Matteo Cobelli , Hasan M. Sayeed , Taylor D. Sparks , Stefano Sanvito

Chemical language models (CLMs) have emerged as promising competitors to popular classical machine learning models for molecular property prediction (MPP) tasks. However, an increasing number of studies have reported inconsistent and…

Machine Learning · Computer Science 2026-03-17 Mohammad Mostafanejad , Paul Saxe , T. Daniel Crawford

Large language models (LLMs) have emerged as powerful tools in chemistry, significantly impacting molecule design, property prediction, and synthesis optimization. This review highlights LLM capabilities in these domains and their potential…

Machine Learning · Computer Science 2024-11-18 Mayk Caldas Ramos , Christopher J. Collison , Andrew D. White

Recent advancements in large language models (LLMs) hold significant promise in improving physics education research that uses machine learning. In this study, we compare the application of various models to perform large-scale analysis of…

Physics Education · Physics 2025-02-25 Rebeckah K. Fussell , Megan Flynn , Anil Damle , Michael F. J. Fox , N. G. Holmes

The exponential growth of text-based data in domains such as healthcare, education, and social sciences has outpaced the capacity of traditional qualitative analysis methods, which are time-intensive and prone to subjectivity. Large…

Large Language Models represent state-of-the-art linguistic models designed to equip computers with the ability to comprehend natural language. With its exceptional capacity to capture complex contextual relationships, the LLaMA (Large…

Computation and Language · Computer Science 2023-12-18 Pierpaolo Basile , Elio Musacchio , Marco Polignano , Lucia Siciliani , Giuseppe Fiameni , Giovanni Semeraro

Latent representation alignment has become a foundational technique for constructing multimodal large language models (MLLM) by mapping embeddings from different modalities into a shared space, often aligned with the embedding space of…

Machine Learning · Computer Science 2025-03-06 Dong Shu , Bingbing Duan , Kai Guo , Kaixiong Zhou , Jiliang Tang , Mengnan Du

Background: Identification of the interactions and regulatory relations between biomolecules play pivotal roles in understanding complex biological systems and the mechanisms underlying diverse biological functions. However, the collection…

Computation and Language · Computer Science 2025-04-24 Gilchan Park , Byung-Jun Yoon , Xihaier Luo , Vanessa López-Marrero , Shinjae Yoo , Shantenu Jha

The rapid advancement of artificial intelligence, particularly with the development of Large Language Models (LLMs) built on the transformer architecture, has redefined the capabilities of natural language processing. These models now…

Computation and Language · Computer Science 2025-02-11 Andrea Matarazzo , Riccardo Torlone

We introduce LLaMA, a collection of foundation language models ranging from 7B to 65B parameters. We train our models on trillions of tokens, and show that it is possible to train state-of-the-art models using publicly available datasets…

In the real world, a molecule is a 3D geometric structure. Compared to 1D SMILES sequences and 2D molecular graphs, 3D molecules represent the most informative molecular modality. Despite the rapid progress of autoregressive-based language…

Computational Engineering, Finance, and Science · Computer Science 2025-08-15 Lei Jiang , Shuzhou Sun , Biqing Qi , Yuchen Fu , Xiaohua Xu , Yuqiang Li , Dongzhan Zhou , Tianfan Fu

Large Language Models (LLMs) represent a major step toward artificial general intelligence, significantly advancing our ability to interact with technology. While LLMs perform well on Natural Language Processing tasks -- such as…

Computation and Language · Computer Science 2025-05-15 Brandon Smith , Mohamed Reda Bouadjenek , Tahsin Alamgir Kheya , Phillip Dawson , Sunil Aryal

This study explores the effectiveness of Large Language Models in meal planning, focusing on their ability to identify and decompose compound ingredients. We evaluated three models-GPT-4o, Llama-3 (70b), and Mixtral (8x7b)-to assess their…

Computation and Language · Computer Science 2024-11-12 Leon Kopitar , Leon Bedrac , Larissa J Strath , Jiang Bian , Gregor Stiglic

Estimating item difficulty through field-testing is often resource-intensive and time-consuming. As such, there is strong motivation to develop methods that can predict item difficulty at scale using only the item content. Large Language…

Computers and Society · Computer Science 2026-03-10 Pooya Razavi , Sonya Powers

Large Language Models (LLMs) have transformed artificial intelligence by excelling in complex natural language processing tasks. Their ability to generate human-like text has opened new possibilities for market research, particularly in…

Artificial Intelligence · Computer Science 2026-04-20 Mengxin Wang , Dennis J. Zhang , Heng Zhang

Effective educational measurement relies heavily on the curation of well-designed item pools (i.e., possessing the right psychometric properties). However, item calibration is time-consuming and costly, requiring a sufficient number of…

Computers and Society · Computer Science 2024-07-16 Yunting Liu , Shreya Bhandari , Zachary A. Pardos