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Understanding the internal mechanisms of large language models (LLMs) remains a challenging and complex endeavor. Even fundamental questions, such as how fine-tuning affects model behavior, often require extensive empirical evaluation. In…

This work explores expanding the capabilities of large language models (LLMs) pretrained on text to generate 3D meshes within a unified model. This offers key advantages of (1) leveraging spatial knowledge already embedded in LLMs, derived…

Machine Learning · Computer Science 2024-11-15 Zhengyi Wang , Jonathan Lorraine , Yikai Wang , Hang Su , Jun Zhu , Sanja Fidler , Xiaohui Zeng

Large language models (LLMs) demonstrate remarkable emergent abilities to perform in-context learning across various tasks, including time series forecasting. This work investigates LLMs' ability to estimate probability density functions…

Machine Learning · Computer Science 2025-03-05 Toni J. B. Liu , Nicolas Boullé , Raphaël Sarfati , Christopher J. Earls

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

Vector embeddings derived from large language models (LLMs) show promise in capturing latent information from the literature. Interestingly, these can be integrated into material embeddings, potentially useful for data-driven predictions of…

Computation and Language · Computer Science 2024-09-19 Luke P. J. Gilligan , Matteo Cobelli , Hasan M. Sayeed , Taylor D. Sparks , Stefano Sanvito

Language is essentially a complex, intricate system of human expressions governed by grammatical rules. It poses a significant challenge to develop capable AI algorithms for comprehending and grasping a language. As a major approach,…

Large Language Models (LLMs) have demonstrated exceptional capabilities in solving various tasks, progressively evolving into general-purpose assistants. The increasing integration of LLMs into society has sparked interest in whether they…

Computation and Language · Computer Science 2025-10-20 Yuan Li , Yue Huang , Hongyi Wang , Ying Cheng , Xiangliang Zhang , James Zou , Lichao Sun

The advancement of large language models (LLMs) has outpaced traditional evaluation methodologies. This progress presents novel challenges, such as measuring human-like psychological constructs, moving beyond static and task-specific…

Computation and Language · Computer Science 2026-03-12 Haoran Ye , Jing Jin , Yuhang Xie , Xin Zhang , Guojie Song

This study investigates the potential of Large Language Models (LLMs) for reconstructing and constructing the physical world solely based on textual knowledge. It explores the impact of model performance on spatial understanding abilities.…

Computation and Language · Computer Science 2024-10-24 Yongqiang Huang , Wentao Ye , Liyao Li , Junbo Zhao

Large Language Models (LLMs) are increasingly applied in the fields of mechanical engineering and materials science. As models that establish connections through the interface of language, LLMs can be applied for step-wise reasoning through…

Applied Physics · Physics 2025-07-22 Adrian Ehrenhofer , Thomas Wallmersperger , Gianaurelio Cuniberti

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

Large language models (LLMs) have exhibited impressive competence in various tasks, but their internal mechanisms on mathematical problems are still under-explored. In this paper, we study a fundamental question: how language models encode…

Computation and Language · Computer Science 2024-11-15 Fangwei Zhu , Damai Dai , Zhifang Sui

A language model (LM) is a mapping from a linguistic context to an output token. However, much remains to be known about this mapping, including how its geometric properties relate to its function. We take a high-level geometric approach to…

Computation and Language · Computer Science 2025-05-01 Emily Cheng , Diego Doimo , Corentin Kervadec , Iuri Macocco , Jade Yu , Alessandro Laio , Marco Baroni

Large Language Models (LLMs) have transformed natural language processing and extended their powerful capabilities to multi-modal domains. As LLMs continue to advance, it is crucial to develop diverse and appropriate metrics for their…

Machine Learning · Computer Science 2024-10-15 Lai Wei , Zhiquan Tan , Chenghai Li , Jindong Wang , Weiran Huang

Large language models (LLMs) have achieved remarkable success and demonstrated superior performance across various tasks, including natural language processing (NLP), weather forecasting, biological protein folding, text generation, and…

Artificial Intelligence · Computer Science 2025-12-09 Sarang Patil , Zeyong Zhang , Yiran Huang , Tengfei Ma , Mengjia Xu

Large Language Models (LLMs) perform internal computations in continuous vector spaces yet produce discrete tokens -- a fundamental mismatch whose geometric consequences remain poorly understood. We develop a mathematical framework that…

Machine Learning · Computer Science 2026-03-25 Mohamed A. Mabrok

In recent years, Large Language Models (LLMs) have become increasingly more powerful in their ability to complete complex tasks. One such task in which LLMs are often employed is scoring, i.e., assigning a numerical value from a certain…

Computation and Language · Computer Science 2024-12-31 Henry J. Xie , Jinghan Zhang , Xinhao Zhang , Kunpeng Liu

Large language models (LLMs) show remarkable capabilities across a variety of tasks. Despite the models only seeing text in training, several recent studies suggest that LLM representations implicitly capture aspects of the underlying…

Computation and Language · Computer Science 2024-04-16 Yutaro Yamada , Yihan Bao , Andrew K. Lampinen , Jungo Kasai , Ilker Yildirim

Calculating semantic textual similarity is a foundational task in natural language processing. Current large language models (LLMs) based methods typically rely on extracting last-layer hidden states with fixed dimensions to compute…

Computation and Language · Computer Science 2026-05-29 Kaijie Zheng , Weiqin Wang , Yile Wang , Hui Huang

Large language models (LLMs) have demonstrated emergent abilities across diverse tasks, raising the question of whether they acquire internal world models. In this work, we investigate whether LLMs implicitly encode linear spatial world…

Artificial Intelligence · Computer Science 2025-06-04 Matthieu Tehenan , Christian Bolivar Moya , Tenghai Long , Guang Lin