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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

Large language models (LLMs) are transforming cellular biology by enabling the development of "virtual cells"--computational systems that represent, predict, and reason about cellular states and behaviors. This work provides a comprehensive…

Computation and Language · Computer Science 2025-10-10 Krinos Li , Xianglu Xiao , Shenglong Deng , Lucas He , Zijun Zhong , Yuanjie Zou , Zhonghao Zhan , Zheng Hui , Weiye Bao , Guang Yang

Large Language Models (LLMs) have garnered significant attention due to their remarkable ability to process information across various languages. Despite their capabilities, they exhibit inconsistencies in handling identical queries in…

Computation and Language · Computer Science 2024-06-24 Yue Huang , Chenrui Fan , Yuan Li , Siyuan Wu , Tianyi Zhou , Xiangliang Zhang , Lichao Sun

Natural Language Processing (NLP) is witnessing a remarkable breakthrough driven by the success of Large Language Models (LLMs). LLMs have gained significant attention across academia and industry for their versatile applications in text…

Computation and Language · Computer Science 2024-04-16 Taojun Hu , Xiao-Hua Zhou

The integration of Large Language Models (LLMs) with Graph Representation Learning (GRL) marks a significant evolution in analyzing complex data structures. This collaboration harnesses the sophisticated linguistic capabilities of LLMs to…

Machine Learning · Computer Science 2024-02-12 Qiheng Mao , Zemin Liu , Chenghao Liu , Zhuo Li , Jianling Sun

Large language models (LLMs) process and predict sequences containing text to answer questions, and address tasks including document summarization, providing recommendations, writing software and solving quantitative problems. We provide a…

Numerical Analysis · Mathematics 2026-02-02 Ricardo Baptista , Andrew Stuart , Son Tran

We have only limited understanding of how and why large language models (LLMs) respond in the ways that they do. Their neural networks have proven challenging to interpret, and we are only beginning to tease out the function of individual…

Computation and Language · Computer Science 2025-11-12 Dillon Plunkett , Adam Morris , Keerthi Reddy , Jorge Morales

This study investigates the efficacy of Large Language Models (LLMs) in causal discovery. Using newly available open-source LLMs, OLMo and BLOOM, which provide access to their pre-training corpora, we investigate how LLMs address causal…

Computation and Language · Computer Science 2025-10-13 Tao Feng , Lizhen Qu , Niket Tandon , Zhuang Li , Xiaoxi Kang , Gholamreza Haffari

Large Language Models (LLMs) have introduced a paradigm shift in interaction with AI technology, enabling knowledge workers to complete tasks by specifying their desired outcome in natural language. LLMs have the potential to increase…

Human-Computer Interaction · Computer Science 2025-03-24 Michelle Brachman , Amina El-Ashry , Casey Dugan , Werner Geyer

Algorithm design is crucial for effective problem-solving across various domains. The advent of Large Language Models (LLMs) has notably enhanced the automation and innovation within this field, offering new perspectives and promising…

Machine Learning · Computer Science 2026-01-06 Fei Liu , Yiming Yao , Ping Guo , Zhiyuan Yang , Zhe Zhao , Xi Lin , Xialiang Tong , Kun Mao , Zhichao Lu , Zhenkun Wang , Mingxuan Yuan , Qingfu Zhang

Ontologies play a crucial role in organizing and representing knowledge. However, even current ontologies do not encompass all relevant concepts and relationships. Here, we explore the potential of large language models (LLM) to expand an…

Computation and Language · Computer Science 2023-11-14 Antonio Zaitoun , Tomer Sagi , Szymon Wilk , Mor Peleg

Molecular Relational Learning (MRL) aims to understand interactions between molecular pairs, playing a critical role in advancing biochemical research. With the recent development of large language models (LLMs), a growing number of studies…

Machine Learning · Computer Science 2025-06-03 Zhuo Chen , Yizhen Zheng , Huan Yee Koh , Hongxin Xiang , Linjiang Chen , Wenjie Du , Yang Wang

Conventional predictive modeling of parametric relationships in manufacturing processes is limited by the subjectivity of human expertise and intuition on the one hand and by the cost and time of experimental data generation on the other…

Computation and Language · Computer Science 2025-06-26 Kiarash Naghavi Khanghah , Anandkumar Patel , Rajiv Malhotra , Hongyi Xu

Large Language Models (LLMs) have rapidly become important tools in Biomedical and Health Informatics (BHI), enabling new ways to analyze data, treat patients, and conduct research. This study aims to provide a comprehensive overview of LLM…

Digital Libraries · Computer Science 2024-07-30 Huizi Yu , Lizhou Fan , Lingyao Li , Jiayan Zhou , Zihui Ma , Lu Xian , Wenyue Hua , Sijia He , Mingyu Jin , Yongfeng Zhang , Ashvin Gandhi , Xin Ma

Advances in large language models (LLMs) are profoundly reshaping the field of human-robot interaction (HRI). While prior work has highlighted the technical potential of LLMs, few studies have systematically examined their human-centered…

Robotics · Computer Science 2026-02-18 Yufeng Wang , Yuan Xu , Anastasia Nikolova , Yuxuan Wang , Jianyu Wang , Chongyang Wang , Xin Tong

A drug molecule is a substance that changes the organism's mental or physical state. Every approved drug has an indication, which refers to the therapeutic use of that drug for treating a particular medical condition. While the Large…

Artificial Intelligence · Computer Science 2024-02-20 David Oniani , Jordan Hilsman , Chengxi Zang , Junmei Wang , Lianjin Cai , Jan Zawala , Yanshan Wang

Large Language Models (LLMs) have emerged as highly capable systems and are increasingly being integrated into various uses. However, the rapid pace of their deployment has outpaced a comprehensive understanding of their internal mechanisms…

Computation and Language · Computer Science 2025-10-27 Gabriele Prato , Jerry Huang , Prasanna Parthasarathi , Shagun Sodhani , Sarath Chandar

Designing de novo proteins beyond those found in nature holds significant promise for advancements in both scientific and engineering applications. Current methodologies for protein design often rely on AI-based models, such as surrogate…

Soft Condensed Matter · Physics 2024-02-08 A. Ghafarollahi , M. J. Buehler

Time series data plays a critical role across diverse domains such as healthcare, energy, and finance, where tasks like classification, anomaly detection, and forecasting are essential for informed decision-making. Recently, large language…

Machine Learning · Computer Science 2024-12-18 Francis Tang , Ying Ding

Dialogue policies play a crucial role in developing task-oriented dialogue systems, yet their development and maintenance are challenging and typically require substantial effort from experts in dialogue modeling. While in many situations,…

Computation and Language · Computer Science 2024-06-24 Makesh Narsimhan Sreedhar , Traian Rebedea , Christopher Parisien
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