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Large language models (LLMs) bear promise as a fast and accurate material modeling paradigm for evaluation, analysis, and design. Their vast number of trainable parameters necessitates a wealth of data to achieve accuracy and mitigate…

Machine Learning · Computer Science 2024-07-04 Ning Liu , Siavash Jafarzadeh , Brian Y. Lattimer , Shuna Ni , Jim Lua , Yue Yu

Graphs are an essential data structure utilized to represent relationships in real-world scenarios. Prior research has established that Graph Neural Networks (GNNs) deliver impressive outcomes in graph-centric tasks, such as link prediction…

Machine Learning · Computer Science 2024-09-12 Xubin Ren , Jiabin Tang , Dawei Yin , Nitesh Chawla , Chao Huang

Large Language Models (LLMs) have demonstrated strong capabilities in various natural language processing tasks; however, their application to graph-related problems remains limited, primarily due to scalability constraints and the absence…

Machine Learning · Computer Science 2025-05-08 Hyun Lee , Chris Yi , Maminur Islam , B. D. S. Aritra

Fine-tuning large language models (LLMs) with limited data poses a practical challenge in low-resource languages, specialized domains, and constrained deployment settings. While pre-trained LLMs provide strong foundations, effective…

Computation and Language · Computer Science 2025-10-29 Marton Szep , Daniel Rueckert , Rüdiger von Eisenhart-Rothe , Florian Hinterwimmer

In recent years, pre-trained large language models (LLMs) have demonstrated remarkable efficiency in achieving an inference-time few-shot learning capability known as in-context learning. However, existing literature has highlighted the…

Computation and Language · Computer Science 2024-02-14 Xinyi Wang , Wanrong Zhu , Michael Saxon , Mark Steyvers , William Yang Wang

Graph representation learning, involving both node features and graph structures, is crucial for real-world applications but often encounters pervasive noise. State-of-the-art methods typically address noise by focusing separately on node…

Machine Learning · Computer Science 2024-10-17 Guangxin Su , Yifan Zhu , Wenjie Zhang , Hanchen Wang , Ying Zhang

Fine-tuning for large language models (LLMs) typically requires substantial amounts of high-quality supervised data, which is both costly and labor-intensive to acquire. While synthetic data generation has emerged as a promising solution,…

Computation and Language · Computer Science 2025-05-28 Zihong Chen , Wanli Jiang , Jinzhe Li , Zhonghang Yuan , Huanjun Kong , Wanli Ouyang , Nanqing Dong

Large language models (LLMs) have demonstrated rapid progress across a wide array of domains. Owing to the very large number of parameters and training data in LLMs, these models inherently encompass an expansive and comprehensive materials…

Materials Science · Physics 2024-11-20 Siyu Liu , Tongqi Wen , A. S. L. Subrahmanyam Pattamatta , David J. Srolovitz

Large language models (LLMs) have achieved great success in many fields, and recent works have studied exploring LLMs for graph discriminative tasks such as node classification. However, the abilities of LLMs for graph generation remain…

Machine Learning · Computer Science 2024-03-22 Yang Yao , Xin Wang , Zeyang Zhang , Yijian Qin , Ziwei Zhang , Xu Chu , Yuekui Yang , Wenwu Zhu , Hong Mei

In the field of chemistry, the objective is to create novel molecules with desired properties, facilitating accurate property predictions for applications such as material design and drug screening. However, existing graph deep learning…

Machine Learning · Computer Science 2024-08-28 Sakhinana Sagar Srinivas , Venkataramana Runkana

Large Language Models (LLMs) have become a milestone in the field of artificial intelligence and natural language processing. However, their large-scale deployment remains constrained by the need for significant computational resources.…

Computation and Language · Computer Science 2025-08-07 Julián Camilo Velandia Gutiérrez

Learning on Graphs has attracted immense attention due to its wide real-world applications. The most popular pipeline for learning on graphs with textual node attributes primarily relies on Graph Neural Networks (GNNs), and utilizes shallow…

Machine Learning · Computer Science 2024-01-17 Zhikai Chen , Haitao Mao , Hang Li , Wei Jin , Hongzhi Wen , Xiaochi Wei , Shuaiqiang Wang , Dawei Yin , Wenqi Fan , Hui Liu , Jiliang Tang

Graph representation learning methods are highly effective in handling complex non-Euclidean data by capturing intricate relationships and features within graph structures. However, traditional methods face challenges when dealing with…

Machine Learning · Computer Science 2025-02-25 Hang Gao , Chenhao Zhang , Fengge Wu , Junsuo Zhao , Changwen Zheng , Huaping Liu

The advent of Large Language Models (LLMs) has significantly advanced the field of automated code generation. LLMs rely on large and diverse datasets to learn syntax, semantics, and usage patterns of programming languages. For low-resource…

Software Engineering · Computer Science 2025-02-03 Alessandro Giagnorio , Alberto Martin-Lopez , Gabriele Bavota

Virtual screening plays a critical role in modern drug discovery by enabling the identification of promising candidate molecules for experimental validation. Traditional machine learning methods such, as Support Vector Machines (SVM) and…

Machine Learning · Computer Science 2025-04-29 Radia Berreziga , Mohammed Brahimi , Khairedine Kraim , Hamid Azzoune

The collection and curation of high-quality training data is crucial for developing text classification models with superior performance, but it is often associated with significant costs and time investment. Researchers have recently…

Computation and Language · Computer Science 2023-10-16 Zhuoyan Li , Hangxiao Zhu , Zhuoran Lu , Ming Yin

Qualitative analysis of textual contents unpacks rich and valuable information by assigning labels to the data. However, this process is often labor-intensive, particularly when working with large datasets. While recent AI-based tools…

Computation and Language · Computer Science 2023-04-24 Ziang Xiao , Xingdi Yuan , Q. Vera Liao , Rania Abdelghani , Pierre-Yves Oudeyer

This survey reviews how large language models (LLMs) are transforming synthetic training data generation in both natural language and code domains. By producing artificial but task-relevant examples, these models can significantly augment…

Computation and Language · Computer Science 2025-11-21 Mihai Nadas , Laura Diosan , Andreea Tomescu

High-quality textual training data is essential for the success of multimodal data processing tasks, yet outputs from image captioning models like BLIP and GIT often contain errors and anomalies that are difficult to rectify using…

Computation and Language · Computer Science 2025-02-25 Elyas Meguellati , Nardiena Pratama , Shazia Sadiq , Gianluca Demartini

Large Language Models (LLMs) have garnered considerable interest within both academic and industrial. Yet, the application of LLMs to graph data remains under-explored. In this study, we evaluate the capabilities of four LLMs in addressing…

Artificial Intelligence · Computer Science 2023-09-12 Chang Liu , Bo Wu
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