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The advent of large language models (LLMs) such as ChatGPT has attracted considerable attention in various domains due to their remarkable performance and versatility. As the use of these models continues to grow, the importance of…

Neural and Evolutionary Computing · Computer Science 2024-01-19 Jill Baumann , Oliver Kramer

With the emergence of Transformer architectures and their powerful understanding of textual data, a new horizon has opened up to predict the molecular properties based on text description. While SMILES are the most common form of…

Chemical Physics · Physics 2023-10-11 Suryanarayanan Balaji , Rishikesh Magar , Yayati Jadhav , Amir Barati Farimani

Large Language Models (LLMs) create exciting possibilities for powerful language processing tools to accelerate research in materials science. While LLMs have great potential to accelerate materials understanding and discovery, they…

Materials Science · Physics 2024-09-26 Santiago Miret , N M Anoop Krishnan

Large Language Models (LLMs) have revolutionized artificial intelligence, demonstrating remarkable computational power and linguistic capabilities. However, these models are inherently prone to various biases stemming from their training…

Computation and Language · Computer Science 2025-02-14 Riccardo Cantini , Giada Cosenza , Alessio Orsino , Domenico Talia

Designing functional transition metal complexes (TMCs) faces challenges due to the vast search space of metals and ligands, requiring efficient optimization strategies. Traditional genetic algorithms (GAs) are commonly used, employing…

Chemical Physics · Physics 2024-10-25 Jieyu Lu , Zhangde Song , Qiyuan Zhao , Yuanqi Du , Yirui Cao , Haojun Jia , Chenru Duan

There is a significant potential for coding skills to transition fully to natural language in the future. In this context, large language models (LLMs) have shown impressive natural language processing abilities to generate sophisticated…

Materials Science · Physics 2024-06-25 Prathamesh Satpute , Saurabh Tiwari , Maneet Gupta , Supriyo Ghosh

This study seeks to utilize large language models (LLMs) to forecast the moving ports of fluid antenna (FA). By repositioning the antenna to the locations identified by our proposed model, we intend to address the mobility challenges faced…

Signal Processing · Electrical Eng. & Systems 2025-09-03 Yali Zhang , Haifan Yin , Weidong Li , Emil Bjornson , Merouane Debbah

This systematic literature review comprehensively examines the application of Large Language Models (LLMs) in forecasting and anomaly detection, highlighting the current state of research, inherent challenges, and prospective future…

Machine Learning · Computer Science 2024-02-19 Jing Su , Chufeng Jiang , Xin Jin , Yuxin Qiao , Tingsong Xiao , Hongda Ma , Rong Wei , Zhi Jing , Jiajun Xu , Junhong Lin

Eliciting information to reduce uncertainty about a latent entity is a critical task in many application domains, e.g., assessing individual student learning outcomes, diagnosing underlying diseases, or learning user preferences. Though…

Computation and Language · Computer Science 2025-07-10 Jimmy Wang , Thomas Zollo , Richard Zemel , Hongseok Namkoong

Time series~(TS) modeling is essential in dynamic systems like weather prediction and anomaly detection. Recent studies utilize Large Language Models (LLMs) for TS modeling, leveraging their powerful pattern recognition capabilities. These…

Machine Learning · Computer Science 2024-10-23 Can Chen , Gabriel Oliveira , Hossein Sharifi Noghabi , Tristan Sylvain

Progress in the application of machine learning techniques to the prediction of solid-state and molecular materials properties has been greatly facilitated by the development state-of-the-art feature representations and novel deep learning…

Materials Science · Physics 2022-03-21 David E. Sommer , Scott T. Dunham

Recent large language models (LLMs) have demonstrated the ability to perform explicit multi-step reasoning such as chain-of-thought prompting. However, their intermediate steps often contain errors that can propagate leading to inaccurate…

Artificial Intelligence · Computer Science 2025-08-06 Yijin Yang , Cristina Cornelio , Mario Leiva , Paulo Shakarian

Prompt tuning has become a prominent strategy for enhancing the performance of Large Language Models (LLMs) on downstream tasks. Many IT enterprises now offer Prompt-Tuning-as-a-Service to fulfill the growing demand for prompt tuning LLMs…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-03-06 Wei Gao , Peng Sun , Dmitrii Ustiugov , Tianwei Zhang , Yonggang Wen

We investigate the predictability of large language model (LLM) capabilities: given records of past experiments using different model families, numbers of parameters, tasks, and numbers of in-context examples, can we accurately predict LLM…

Computation and Language · Computer Science 2023-11-01 Qinyuan Ye , Harvey Yiyun Fu , Xiang Ren , Robin Jia

This research focuses on assessing the ability of large language models (LLMs) in representing geometries and their spatial relations. We utilize LLMs including GPT-2 and BERT to encode the well-known text (WKT) format of geometries and…

Computation and Language · Computer Science 2023-07-10 Yuhan Ji , Song Gao

Evaluating large language models (LLMs) on comprehensive benchmarks is a cornerstone of their development, yet it's often computationally and financially prohibitive. While Item Response Theory (IRT) offers a promising path toward…

Artificial Intelligence · Computer Science 2025-10-07 Lele Liao , Qile Zhang , Ruofan Wu , Guanhua Fang

Accurate estimates of item difficulty are essential for valid assessment and effective adaptive learning. However, for newly created tasks, response data are typically unavailable. Pretesting and expert judgement can be costly and slow,…

Large language models (LLMs) are increasingly employed in information-seeking and decision-making tasks. Despite their broad utility, LLMs tend to generate information that conflicts with real-world facts, and their persuasive style can…

Computation and Language · Computer Science 2024-09-19 Arslan Chaudhry , Sridhar Thiagarajan , Dilan Gorur

The impressive linguistic abilities of large language models (LLMs) have recommended them as models of human sentence processing, with some conjecturing a positive 'quality-power' relationship (Wilcox et al., 2023), in which language…

Computation and Language · Computer Science 2025-05-20 Yi-Chien Lin , Hongao Zhu , William Schuler

Time series forecasting aims to model temporal dependencies among variables for future state inference, holding significant importance and widespread applications in real-world scenarios. Although deep learning-based methods have achieved…

Machine Learning · Computer Science 2026-05-21 Zesen Wang , Lijuan Lan , Yonggang Li
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