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As the application of large language models in various fields continues to expand, materials science also ushers in opportunities for AI-driven innovation. The traditional way of relying on manual search for materials science-related…

Artificial Intelligence · Computer Science 2024-11-14 Chao Huang , Huichen Xiao , Chen Chen , Chunyan Chen , Yi Zhao , Shiyu Du , Yiming Zhang , He Sha , Ruixin Gu

In recent times, Large Language Models (LLMs) have captured a global spotlight and revolutionized the field of Natural Language Processing. One of the factors attributed to the effectiveness of LLMs is the model architecture used for…

Machine Learning · Computer Science 2023-08-31 Oluwaseyi Ogunfowora , Homayoun Najjaran

Large language models (LLMs) have been widely adopted due to their remarkable performance across various applications, driving the accelerated development of a large number of diverse models. However, these individual LLMs show limitations…

Computation and Language · Computer Science 2025-06-13 Kaushal Kumar Maurya , KV Aditya Srivatsa , Ekaterina Kochmar

This project investigates the capabilities of large language models (LLMs) to determine the difficulty of data visualization literacy test items. We explore whether features derived from item text (question and answer options), the…

Artificial Intelligence · Computer Science 2026-03-06 Samin Khan

Large Language Models (LLMs) are known for their expensive and time-consuming training. Thus, oftentimes, LLMs are fine-tuned to address a specific task, given the pretrained weights of a pre-trained LLM considered a foundation model. In…

Computation and Language · Computer Science 2025-12-05 Eshed Gal , Moshe Eliasof , Javier Turek , Uri Ascher , Eran Treister , Eldad Haber

The proliferation of Large Language Models (LLMs) necessitates valid evaluation methods to guide downstream applications and actionable future improvements. The Item Response Theory (IRT) has recently emerged as a promising framework for…

Methodology · Statistics 2025-12-12 Zhiyu Xu , Jia Liu , Yixin Wang , Yuqi Gu

Large Language Models (LLMs) are a class of generative AI models built using the Transformer network, capable of leveraging vast datasets to identify, summarize, translate, predict, and generate language. LLMs promise to revolutionize…

Information Retrieval · Computer Science 2024-03-05 Chunhe Ni , Jiang Wu , Hongbo Wang , Wenran Lu , Chenwei Zhang

Large language models (LLMs) can be used as accessible and intelligent chatbots by constructing natural language queries and directly inputting the prompt into the large language model. However, different prompt' constructions often lead to…

Computation and Language · Computer Science 2023-12-14 Jinta Weng , Jiarui Zhang , Yue Hu , Daidong Fa , Xiaofeng Xuand , Heyan Huang

Large language models such as GPT and Llama are trained with a next-token prediction loss. In this work, we suggest that training language models to predict multiple future tokens at once results in higher sample efficiency. More…

Computation and Language · Computer Science 2024-05-01 Fabian Gloeckle , Badr Youbi Idrissi , Baptiste Rozière , David Lopez-Paz , Gabriel Synnaeve

Recent advancements in large language models (LLMs) have opened new pathways for many domains. However, the full potential of LLMs in financial investments remains largely untapped. There are two main challenges for typical deep…

Statistical Finance · Quantitative Finance 2024-03-05 Hanshuang Tong , Jun Li , Ning Wu , Ming Gong , Dongmei Zhang , Qi Zhang

Molecular property prediction is a crucial foundation for drug discovery. In recent years, pre-trained deep learning models have been widely applied to this task. Some approaches that incorporate prior biological domain knowledge into the…

Machine Learning · Computer Science 2024-08-20 Tianyu Zhang , Yuxiang Ren , Chengbin Hou , Hairong Lv , Xuegong Zhang

This research examines the use of Large Language Models (LLMs) in predicting time series, with a specific focus on the LLMTIME model. Despite the established effectiveness of LLMs in tasks such as text generation, language translation, and…

Machine Learning · Computer Science 2024-08-12 Rui Cao , Qiao Wang

Advances in large language models (LLMs) have recently opened new and promising avenues for small-molecule drug discovery. Yet existing LLM-based approaches for molecular generation often suffer from high rates of invalid and low-quality…

Machine Learning · Computer Science 2026-05-15 Andrew Y. Zhou , Sharvaree Vadgama , Sumanth Varambally , Peter Eckmann , Michael K. Gilson , Rose Yu

The deployment of unmanned aerial vehicles (UAVs) for reliable and energy-efficient data collection from spatially distributed devices holds great promise in supporting diverse Internet of Things (IoT) applications. Nevertheless, the…

Systems and Control · Electrical Eng. & Systems 2025-09-23 Zhixion Chen , Jiangzhou Wang , Hyundong Shin , Arumugam Nallanathan

Recent work has investigated the capabilities of large language models (LLMs) as zero-shot models for generating individual-level characteristics (e.g., to serve as risk models or augment survey datasets). However, when should a user have…

The pursuit of novel alloys tailored to specific requirements poses significant challenges for researchers in the field. This underscores the importance of developing predictive techniques for essential physical properties of alloys based…

Materials Science · Physics 2024-04-01 Akshat Chaudhari , Chakradhar Guntuboina , Hongshuo Huang , Amir Barati Farimani

Large language models (LLMs) have shown potential as tools for scientific discovery. This has engendered growing interest in their use in humanistic disciplines, such as historical linguistics and literary studies. These fields often…

Computation and Language · Computer Science 2026-03-31 Elisabeth Fittschen , Sabrina Li , Tom Lippincott , Leshem Choshen , Craig Messner

Generalized large language models (LLMs) such as GPT-4 may not provide specific answers to queries formulated by materials science researchers. These models may produce a high-level outline but lack the capacity to return detailed…

Computation and Language · Computer Science 2024-06-04 Achuth Chandrasekhar , Jonathan Chan , Francis Ogoke , Olabode Ajenifujah , Amir Barati Farimani

The conceptual design phase represents a critical early stage in the product development process, where designers generate potential solutions that meet predefined design specifications based on functional requirements. Functional modeling,…

Machine Learning · Computer Science 2025-05-06 Fatemeh Elhambakhsh , Daniele Grandi , Hyunwoong Ko

Recent advancements in language models (LMs) have gained substantial attentions on their capability to generate human-like responses. Though exhibiting a promising future for various applications such as conversation AI, these LMs face…

Machine Learning · Computer Science 2023-09-14 Yufei Li , Zexin Li , Wei Yang , Cong Liu