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We propose a novel approach for decision making problems leveraging the generalization capabilities of large language models (LLMs). Traditional methods such as expert systems, planning algorithms, and reinforcement learning often exhibit…

Computation and Language · Computer Science 2024-08-13 Yu Zhang , Haoxiang Liu , Feijun Jiang , Weihua Luo , Kaifu Zhang

The advancement of artificial intelligence algorithms has expanded their application to several fields such as the biomedical domain. Artificial intelligence systems, including Large Language Models (LLMs), can be particularly advantageous…

Mechanism design has long been a cornerstone of economic theory, with traditional approaches relying on mathematical derivations. Recently, automated approaches, including differentiable economics with neural networks, have emerged for…

Machine Learning · Computer Science 2025-02-19 Jiayuan Liu , Mingyu Guo , Vincent Conitzer

The study of biological materials and bio-inspired materials science is well established; however, surprisingly little knowledge has been systematically translated to engineering solutions. To accelerate discovery and guide insights, an…

Materials Science · Physics 2023-12-12 Rachel K. Luu , Markus J. Buehler

Recent advances in large language models (LLMs) have sparked growing interest in integrating language-driven techniques into trajectory prediction. By leveraging their semantic and reasoning capabilities, LLMs are reshaping how autonomous…

Computation and Language · Computer Science 2025-10-08 Yi Xu , Ruining Yang , Yitian Zhang , Jianglin Lu , Mingyuan Zhang , Yizhou Wang , Lili Su , Yun Fu

In this big data era, the use of large dataset in conjunction with machine learning (ML) has been increasingly popular in both industry and academia. In recent times, the field of materials science is also undergoing a big data revolution,…

Materials Science · Physics 2023-09-27 Sue Sin Chong , Yi Sheng Ng , Hui-Qiong Wang , Jin-Cheng Zheng

Large Language Models (LLMs) have demonstrated remarkable performance across various natural language tasks, marking significant strides towards general artificial intelligence. While general artificial intelligence is leveraged by…

Computation and Language · Computer Science 2023-10-31 Yizhe Yang , Huashan Sun , Jiawei Li , Runheng Liu , Yinghao Li , Yuhang Liu , Heyan Huang , Yang Gao

Large language models (LLMs) often necessitate extensive labeled datasets and training compute to achieve impressive performance across downstream tasks. This paper explores a self-training paradigm, where the LLM autonomously curates its…

Computation and Language · Computer Science 2024-11-13 Wei Jie Yeo , Teddy Ferdinan , Przemyslaw Kazienko , Ranjan Satapathy , Erik Cambria

Machine Learning (ML) has offered innovative perspectives for accelerating the discovery of new functional materials, leveraging the increasing availability of material databases. Despite the promising advances, data-driven methods face…

In recent years, the integration of large language models (LLMs) has revolutionized the field of robotics, enabling robots to communicate, understand, and reason with human-like proficiency. This paper explores the multifaceted impact of…

Robotics · Computer Science 2024-08-16 Yeseung Kim , Dohyun Kim , Jieun Choi , Jisang Park , Nayoung Oh , Daehyung Park

Automatic disease diagnosis has become increasingly valuable in clinical practice. The advent of large language models (LLMs) has catalyzed a paradigm shift in artificial intelligence, with growing evidence supporting the efficacy of LLMs…

The rapid development of Large Language Models (LLMs) demonstrates remarkable multilingual capabilities in natural language processing, attracting global attention in both academia and industry. To mitigate potential discrimination and…

Computation and Language · Computer Science 2025-01-08 Kaiyu Huang , Fengran Mo , Xinyu Zhang , Hongliang Li , You Li , Yuanchi Zhang , Weijian Yi , Yulong Mao , Jinchen Liu , Yuzhuang Xu , Jinan Xu , Jian-Yun Nie , Yang Liu

The rise of Multimodal Large Language Models (MLLMs) has become a transformative force in the field of artificial intelligence, enabling machines to process and generate content across multiple modalities, such as text, images, audio, and…

Computation and Language · Computer Science 2025-12-09 Ming Li , Keyu Chen , Ziqian Bi , Ming Liu , Xinyuan Song , Zekun Jiang , Tianyang Wang , Benji Peng , Qian Niu , Junyu Liu , Jinlang Wang , Sen Zhang , Xuanhe Pan , Jiawei Xu , Pohsun Feng

Current approaches to data discovery match keywords between metadata and queries. This matching requires researchers to know the exact wording that other researchers previously used, creating a challenging process that could lead to missing…

Human-Computer Interaction · Computer Science 2025-10-03 Maura E Halstead , Mark A. Green , Caroline Jay , Richard Kingston , David Topping , Alexander Singleton

Large language models (LLMs) have emerged as powerful tools in natural language processing (NLP), showing a promising future of artificial generated intelligence (AGI). Despite their notable performance in the general domain, LLMs have…

Computation and Language · Computer Science 2025-01-23 Jingyuan Chen , Tao Wu , Wei Ji , Fei Wu

We study the use of large language models (LLMs) for physics instrument design and compare their performance to reinforcement learning (RL). Using only prompting, LLMs are given task constraints and summaries of prior high-scoring designs…

Instrumentation and Detectors · Physics 2026-01-13 Sara Zoccheddu , Shah Rukh Qasim , Patrick Owen , Nicola Serra

Catalysts are essential for accelerating chemical reactions and enhancing selectivity, which is crucial for the sustainable production of energy, materials, and bioactive compounds. Catalyst discovery is fundamental yet challenging in…

Computational Engineering, Finance, and Science · Computer Science 2025-02-20 Yuanyuan Xu , Hanchen Wang , Wenjie Zhang , Lexing Xie , Yin Chen , Flora Salim , Ying Zhang , Justin Gooding , Toby Walsh

Molecular property prediction and generative design via deep learning models has been the subject of intense research given its potential to accelerate development of new, high-performance materials. More recently, these workflows have been…

Artificial Intelligence · Computer Science 2024-12-16 Nathaniel H. Park , Tiffany J. Callahan , James L. Hedrick , Tim Erdmann , Sara Capponi

In recent years, large language models have had a very impressive performance, which largely contributed to the development and application of artificial intelligence, and the parameters and performance of the models are still growing…

Machine Learning · Computer Science 2025-01-10 Xuran Zheng , Chang D. Yoo

Large language models (LLMs) integrated with autonomous agents hold significant potential for advancing scientific discovery through automated reasoning and task execution. However, applying LLM agents to drug discovery is still constrained…

Artificial Intelligence · Computer Science 2025-07-29 Kun Li , Zhennan Wu , Shoupeng Wang , Jia Wu , Shirui Pan , Wenbin Hu