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Large language models (LLMs) have transformed human writing by enhancing grammar correction, content expansion, and stylistic refinement. However, their widespread use raises concerns about authorship, originality, and ethics, even…

Computation and Language · Computer Science 2024-10-21 Zhen Tao , Zhiyu Li , Runyu Chen , Dinghao Xi , Wei Xu

Understanding the internal representations of large language models (LLMs) can help explain models' behavior and verify their alignment with human values. Given the capabilities of LLMs in generating human-understandable text, we propose…

Computation and Language · Computer Science 2024-06-10 Asma Ghandeharioun , Avi Caciularu , Adam Pearce , Lucas Dixon , Mor Geva

Large Language Models (LLMs) have made significant progress in reasoning, demonstrating their capability to generate human-like responses. This study analyzes the problem-solving capabilities of LLMs in the domain of thermodynamics. A…

Computational Engineering, Finance, and Science · Computer Science 2025-12-18 Rebecca Loubet , Pascal Zittlau , Luisa Vollmer , Marco Hoffmann , Sophie Fellenz , Fabian Jirasek , Heike Leitte , Hans Hasse

Large language models (LLMs) demonstrate extraordinary abilities in a wide range of natural language processing (NLP) tasks. In this paper, we show that, beyond text understanding capability, LLMs are capable of processing text layouts that…

Computation and Language · Computer Science 2024-08-29 Weiming Li , Manni Duan , Dong An , Yan Shao

Artificial Intelligence models have demonstrated significant success in diagnosing skin diseases, including cancer, showing the potential to assist clinicians in their analysis. However, the interpretability of model predictions must be…

Computer Vision and Pattern Recognition · Computer Science 2025-08-29 Max Torop , Masih Eskandar , Nicholas Kurtansky , Jinyang Liu , Jochen Weber , Octavia Camps , Veronica Rotemberg , Jennifer Dy , Kivanc Kose

The focus on safety alignment in large language models (LLMs) has increased significantly due to their widespread adoption across different domains. The scale of LLMs play a contributing role in their success, and the growth in parameter…

Artificial Intelligence · Computer Science 2025-07-29 Rachel S. Y. Teo , Laziz U. Abdullaev , Tan M. Nguyen

Over the last year, significant advancements have been made in the realms of large language models (LLMs) and multi-modal large language models (MLLMs), particularly in their application to autonomous driving. These models have showcased…

Robotics · Computer Science 2024-06-11 Xiangrui Kong , Thomas Braunl , Marco Fahmi , Yue Wang

Accurate molecular property prediction is a critical challenge with wide-ranging applications in chemistry, materials science, and drug discovery. Molecular representation methods, including fingerprints and graph neural networks (GNNs),…

Machine Learning · Computer Science 2025-08-13 Jiaxin Ju , Yizhen Zheng , Huan Yee Koh , Can Wang , Shirui Pan

Recent advancements in artificial intelligence have enabled processing of larger inputs, leading everyday software developers to increasingly rely on chat-based large language models (LLMs) like GPT-3.5 and GPT-4 to detect vulnerabilities…

Software Engineering · Computer Science 2025-02-12 Francesco Sovrano , Adam Bauer , Alberto Bacchelli

This paper examines a critical yet unexplored dimension of the AI alignment problem: the potential for Large Language Models (LLMs) to inherit and amplify existing misalignments between human espoused theories and theories-in-use. Drawing…

Human-Computer Interaction · Computer Science 2025-07-04 Tim Rogers , Ben Teehankee

Large language models (LLMs) are the foundation of the current successes of artificial intelligence (AI), however, they are unavoidably biased. To effectively communicate the risks and encourage mitigation efforts these models need adequate…

Computation and Language · Computer Science 2025-01-14 Carolin M. Schuster , Maria-Alexandra Dinisor , Shashwat Ghatiwala , Georg Groh

Large language models (LLMs) are becoming increasingly capable, but the mechanisms of their thinking and decision-making processes remain unclear. Chain-of-thoughts (CoTs) have been commonly utilized to externalize LLMs' thinking, but this…

Computation and Language · Computer Science 2026-05-28 Guanxu Chen , Jing Shao , Tao Luo , Lijie Hu , Qihao Lin , Dongrui Liu

The advancement of Large Language Models (LLMs) has significantly impacted various domains, including Web search, healthcare, and software development. However, as these models scale, they become more vulnerable to cybersecurity risks,…

Cryptography and Security · Computer Science 2024-10-01 Qin Liu , Wenjie Mo , Terry Tong , Jiashu Xu , Fei Wang , Chaowei Xiao , Muhao Chen

Multimodal Large Language Models (MLLMs) demonstrate remarkable capabilities that increasingly influence various aspects of our daily lives, constantly defining the new boundary of Artificial General Intelligence (AGI). Image modalities,…

Cryptography and Security · Computer Science 2024-08-13 Yihe Fan , Yuxin Cao , Ziyu Zhao , Ziyao Liu , Shaofeng Li

Large Language Models (LLMs) frequently prioritize conflicting in-context information over pre-existing parametric memory, a phenomenon often termed sycophancy or compliance. However, the mechanistic realization of this behavior remains…

Machine Learning · Computer Science 2026-02-09 Long Zhang , Fangwei Lin

Molecular property prediction has gained significant attention due to its transformative potential in multiple scientific disciplines. Conventionally, a molecule graph can be represented either as a graph-structured data or a SMILES text.…

Machine Learning · Computer Science 2023-07-17 Chen Qian , Huayi Tang , Zhirui Yang , Hong Liang , Yong Liu

Multilingual LLMs demonstrate strong performance across diverse languages, yet there has been limited systematic analysis of how language information is structured within their internal representation space and how it emerges across layers.…

Computation and Language · Computer Science 2025-11-24 JaeSeong Kim , Suan Lee

The integration of Large Language Models (LLMs) into the drug discovery and development field marks a significant paradigm shift, offering novel methodologies for understanding disease mechanisms, facilitating drug discovery, and optimizing…

Quantitative Methods · Quantitative Biology 2024-09-10 Yizhen Zheng , Huan Yee Koh , Maddie Yang , Li Li , Lauren T. May , Geoffrey I. Webb , Shirui Pan , George Church

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

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
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