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The recent success of Large Language Models (LLMs) signifies an impressive stride towards artificial general intelligence. They have shown a promising prospect in automatically completing tasks upon user instructions, functioning as…

Artificial Intelligence · Computer Science 2023-12-05 Zhizheng Zhang , Xiaoyi Zhang , Wenxuan Xie , Yan Lu

Prompt engineering has emerged as a powerful technique for guiding large language models (LLMs) toward desired responses, significantly enhancing their performance across diverse tasks. Beyond their role as static predictors, LLMs…

Machine Learning · Computer Science 2025-03-27 Ryumei Nakada , Wenlong Ji , Tianxi Cai , James Zou , Linjun Zhang

The recent advance in Large Language Models (LLMs) has shaped a new paradigm of AI agents, i.e., LLM-based agents. Compared to standalone LLMs, LLM-based agents substantially extend the versatility and expertise of LLMs by enhancing LLMs…

Software Engineering · Computer Science 2025-12-04 Junwei Liu , Kaixin Wang , Yixuan Chen , Xin Peng , Zhenpeng Chen , Lingming Zhang , Yiling Lou

Grading exams is an important, labor-intensive, subjective, repetitive, and frequently challenging task. The feasibility of autograding textual responses has greatly increased thanks to the availability of large language models (LLMs) such…

Computation and Language · Computer Science 2024-07-09 Johannes Schneider , Bernd Schenk , Christina Niklaus

The shortage of clinical workforce presents significant challenges in mental healthcare, limiting access to formal diagnostics and services. We aim to tackle this shortage by integrating a customized large language model (LLM) into the…

Computation and Language · Computer Science 2025-05-02 Sichang Tu , Abigail Powers , Natalie Merrill , Negar Fani , Sierra Carter , Stephen Doogan , Jinho D. Choi

Recent large language models (LLMs) have demonstrated promising capabilities in modeling real-world knowledge and enhancing knowledge-based generation tasks. In this paper, we further explore the potential of using LLMs to aid in the design…

Robotics · Computer Science 2024-11-04 Weicheng Ma , Luyang Zhao , Chun-Yi She , Yitao Jiang , Alan Sun , Bo Zhu , Devin Balkcom , Soroush Vosoughi

To accelerate mechanical design and enhance design quality and innovation, we present a Multidisciplinary Design and Optimization (MDO) Agent driven by Large Language Models (LLMs). The agent semi-automates the end-to-end workflow by…

Human-Computer Interaction · Computer Science 2025-11-25 Bingkun Guo , Wentian Li , Xiaojian Liu , Jiaqi Luo , Zibin Yu , Dalong Dong , Shuyou Zhang , Yiming Zhang

Large Language Models (LLMs) have achieved remarkable success across a wide array of tasks. Due to the impressive planning and reasoning abilities of LLMs, they have been used as autonomous agents to do many tasks automatically. Recently,…

Computation and Language · Computer Science 2024-04-22 Taicheng Guo , Xiuying Chen , Yaqi Wang , Ruidi Chang , Shichao Pei , Nitesh V. Chawla , Olaf Wiest , Xiangliang Zhang

Large Language Models (LLMs) have revolutionized the field of Natural Language Processing thanks to their ability to reuse knowledge acquired on massive text corpora on a wide variety of downstream tasks, with minimal (if any) tuning steps.…

Computation and Language · Computer Science 2024-07-12 Flavio Petruzzellis , Alberto Testolin , Alessandro Sperduti

Active learning (AL) accelerates scientific discovery by prioritizing the most informative experiments, but traditional machine learning (ML) models used in AL suffer from cold-start limitations and domain-specific feature engineering,…

Machine Learning · Computer Science 2025-12-05 Hongchen Wang , Rafael Espinosa Castañeda , Jay R. Werber , Yao Fehlis , Edward Kim , Jason Hattrick-Simpers

Large language models (LLMs) and agentic systems have recently demonstrated potential for automating scientific workflows, including atomistic simulations. However, their deployment in high-performance computing (HPC) environments remains…

Computational Physics · Physics 2026-04-27 William Dawson , Louis Beal , Yoann Curé , Giuseppe Fisicaro , Dorian Rolland , Luigi Genovese

Simulations, although powerful in accurately replicating real-world systems, often remain inaccessible to non-technical users due to their complexity. Conversely, large language models (LLMs) provide intuitive, language-based interactions…

Computation and Language · Computer Science 2025-05-22 Jacob Kleiman , Kevin Frank , Joseph Voyles , Sindy Campagna

Large Language Models (LLM) and Generative Pre-trained Transformers (GPT), are reshaping the field of Software Engineering (SE). They enable innovative methods for executing many software engineering tasks, including automated code…

Software Engineering · Computer Science 2023-12-01 Zeeshan Rasheed , Muhammad Waseem , Kai-Kristian Kemell , Wang Xiaofeng , Anh Nguyen Duc , Kari Systä , Pekka Abrahamsson

The advancement of Large Language Models (LLMs), including GPT-4, provides exciting new opportunities for generative design. We investigate the application of this tool across the entire design and manufacturing workflow. Specifically, we…

Large Language Models (LLMs) are catalyzing a paradigm shift in scientific discovery, evolving from task-specific automation tools into increasingly autonomous agents and fundamentally redefining research processes and human-AI…

Computation and Language · Computer Science 2025-09-18 Tianshi Zheng , Zheye Deng , Hong Ting Tsang , Weiqi Wang , Jiaxin Bai , Zihao Wang , Yangqiu Song

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…

We develop a simple and straightforward methodology to create AI computer agents that can carry out diverse computer tasks and self-improve by developing tools and augmentations to enable themselves to solve increasingly complex tasks. As…

Artificial Intelligence · Computer Science 2024-04-19 Alex Sheng

The surge in popularity of large language models (LLMs) has opened doors for new approaches to the creation of interactive agents. However, managing and interpreting the temporal behavior of such agents over the course of a potentially…

Artificial Intelligence · Computer Science 2024-08-29 Raven Rothkopf , Hannah Tongxin Zeng , Mark Santolucito

Self-assessment is a key aspect of reliable intelligence, yet evaluations of large language models (LLMs) focus mainly on task accuracy. We adapted the 10-item General Self-Efficacy Scale (GSES) to elicit simulated self-assessments from ten…

Artificial Intelligence · Computer Science 2025-11-27 Daniel I Jackson , Emma L Jensen , Syed-Amad Hussain , Emre Sezgin

Rapid advancements in large language models (LLMs) have the potential to assist in scientific progress. A critical capability toward this endeavor is the ability to reproduce existing work. To evaluate the ability of AI agents to reproduce…

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