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Large Language Models (LLMs) have propelled groundbreaking advancements across several domains and are commonly used for text generation applications. However, the computational demands of these complex models pose significant challenges,…

Multimodal large language models (MLLMs) have emerged as a promising paradigm for dental image analysis. However, their ability to capture the multi-level cognitive processes required for radiographic analysis remains unclear. Here, we…

Computation and Language · Computer Science 2026-05-11 Rongyang Wang , Shuang Zhou , Jiashuo Wang , Wenya Xie , Xiaoxia Che

In the rapidly evolving field of natural language processing, the translation of linguistic descriptions into mathematical formulation of optimization problems presents a formidable challenge, demanding intricate understanding and…

Computation and Language · Computer Science 2024-03-05 Tasnim Ahmed , Salimur Choudhury

With the advent of large language models (LLMs), the vast unstructured text within millions of academic papers is increasingly accessible for materials discovery, although significant challenges remain. While LLMs offer promising few- and…

Computation and Language · Computer Science 2025-09-30 Amit K Verma , Zhisong Zhang , Junwon Seo , Robin Kuo , Runbo Jiang , Emma Strubell , Anthony D Rollett

Objective: This study aims to summarize the usage of Large Language Models (LLMs) in the process of creating a scientific review. We look at the range of stages in a review that can be automated and assess the current state-of-the-art…

Digital Libraries · Computer Science 2025-05-16 Dmitry Scherbakov , Nina Hubig , Vinita Jansari , Alexander Bakumenko , Leslie A. Lenert

We introduce ChemPro, a progressive benchmark with 4100 natural language question-answer pairs in Chemistry, across 4 coherent sections of difficulty designed to assess the proficiency of Large Language Models (LLMs) in a broad spectrum of…

Computation and Language · Computer Science 2026-04-22 Aaditya Baranwal , Shruti Vyas

Large Language Models (LLMs) are rapidly transforming various fields, and their potential in Business Process Management (BPM) is substantial. This paper assesses the capabilities of LLMs on business process modeling using a framework for…

Databases · Computer Science 2024-12-03 Humam Kourani , Alessandro Berti , Daniel Schuster , Wil M. P. van der Aalst

The rapid rise in popularity of Large Language Models (LLMs) with emerging capabilities has spurred public curiosity to evaluate and compare different LLMs, leading many researchers to propose their own LLM benchmarks. Noticing preliminary…

Artificial Intelligence · Computer Science 2025-05-15 Timothy R. McIntosh , Teo Susnjak , Nalin Arachchilage , Tong Liu , Paul Watters , Malka N. Halgamuge

Due to an exponential increase in published research articles, it is impossible for individual scientists to read all publications, even within their own research field. In this work, we investigate the use of large language models (LLMs)…

The proliferation of complex structured data in hybrid sources, such as PDF documents and web pages, presents unique challenges for current Large Language Models (LLMs) and Multi-modal Large Language Models (MLLMs) in providing accurate…

Information Retrieval · Computer Science 2025-08-22 Shivani Upadhyay , Messiah Ataey , Syed Shariyar Murtaza , Yifan Nie , Jimmy Lin

Large Language Models (LLMs) have demonstrated strong performance across general NLP tasks, but their utility in automating numerical experiments of complex physical system -- a critical and labor-intensive component -- remains…

Computation and Language · Computer Science 2026-04-28 Nithin Somasekharan , Ling Yue , Yadi Cao , Weichao Li , Patrick Emami , Pochinapeddi Sai Bhargav , Anurag Acharya , Xingyu Xie , Shaowu Pan

The modeling of bio-molecular system across molecular scales remains a central challenge in scientific research. Large language models (LLMs) are increasingly applied to bio-molecular discovery, yet systematic evaluation across multi-scale…

Machine Learning · Computer Science 2026-04-07 Yaxin Xu , Yue Zhou , Tianyu Zhao , Fengwei An , Zhixiang Ren

Although Large Language Models (LLMs) excel in NLP tasks, they still need external tools to extend their ability. Current research on tool learning with LLMs often assumes mandatory tool use, which does not always align with real-world…

Computation and Language · Computer Science 2024-07-19 Kangyun Ning , Yisong Su , Xueqiang Lv , Yuanzhe Zhang , Jian Liu , Kang Liu , Jinan Xu

This study introduces a systematic framework to compare the efficacy of Large Language Models (LLMs) for fine-tuning across various cheminformatics tasks. Employing a uniform training methodology, we assessed three well-known…

Machine Learning · Computer Science 2024-05-03 Lee Youngmin , Lang S. I. D. Andrew , Cai Duoduo , Wheat R. Stephen

The performance of modern software systems is critically dependent on their complex configuration options. Building accurate performance models to navigate this vast space requires effective sampling strategies, yet existing methods often…

Software Engineering · Computer Science 2026-01-09 Xin Wang , Zhenhao Li , Zishuo Ding

The proliferation of open-source Large Language Models (LLMs) from various institutions has highlighted the urgent need for comprehensive evaluation methods. However, current evaluation platforms, such as the widely recognized HuggingFace…

Computation and Language · Computer Science 2024-11-01 Fanghua Ye , Mingming Yang , Jianhui Pang , Longyue Wang , Derek F. Wong , Emine Yilmaz , Shuming Shi , Zhaopeng Tu

Prompt optimization algorithms for Large Language Models (LLMs) excel in multi-step reasoning but still lack effective uncertainty estimation. This paper introduces a benchmark dataset to evaluate uncertainty metrics, focusing on Answer,…

Machine Learning · Computer Science 2024-12-30 Pei-Fu Guo , Yun-Da Tsai , Shou-De Lin

In response to the growing complexity and volume of scientific literature, this paper introduces the LLMs4Synthesis framework, designed to enhance the capabilities of Large Language Models (LLMs) in generating high-quality scientific…

Computation and Language · Computer Science 2024-09-30 Hamed Babaei Giglou , Jennifer D'Souza , Sören Auer

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

Large Language Models (LLMs) have garnered considerable interest due to their impressive natural language capabilities, which in conjunction with various emergent properties make them versatile tools in workflows ranging from complex code…

Materials Science · Physics 2024-10-22 Ge Lei , Ronan Docherty , Samuel J. Cooper