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Multimodal Large Language Models (MLLMs) have demonstrated remarkable proficiency in multimodal tasks. Despite their impressive performance, MLLMs suffer from the modality imbalance issue, where visual information is often underutilized…

Computer Vision and Pattern Recognition · Computer Science 2025-12-09 Hengzhuang Li , Xinsong Zhang , Qiming Peng , Bin Luo , Han Hu , Dengyang Jiang , Han-Jia Ye , Teng Zhang , Hai Jin

The geometric structure of latent representations in large language models (LLMs) is an active area of research, driven in part by its implications for model transparency and AI safety. Existing literature has focused mainly on general…

Machine Learning · Computer Science 2026-04-14 Benjamin J. Choi , Melanie Weber

Large language models (LLMs) have demonstrated impressive capabilities in various reasoning tasks, aided by techniques like chain-of-thought prompting that elicits verbalized reasoning. However, LLMs often generate text with obvious…

Artificial Intelligence · Computer Science 2024-12-06 Zhihui Xie , Jizhou Guo , Tong Yu , Shuai Li

Large language models have made remarkable progress in the field of molecular science, particularly in understanding and generating functional small molecules. This success is largely attributed to the effectiveness of molecular…

Biomolecules · Quantitative Biology 2025-03-14 Zicheng Ma , Chuanliu Fan , Zhicong Wang , Zhenyu Chen , Xiaohan Lin , Yanheng Li , Shihao Feng , Jun Zhang , Ziqiang Cao , Yi Qin Gao

Large language models (LLMs) have shown remarkable performances across a wide range of tasks. However, the mechanisms by which these models encode tasks of varying complexities remain poorly understood. In this paper, we explore the…

Computation and Language · Computer Science 2025-02-06 Mingyu Jin , Qinkai Yu , Jingyuan Huang , Qingcheng Zeng , Zhenting Wang , Wenyue Hua , Haiyan Zhao , Kai Mei , Yanda Meng , Kaize Ding , Fan Yang , Mengnan Du , Yongfeng Zhang

Modern foundation models such as large language models (LLMs) and large multi-modal models (LMMs) require a massive amount of computational and memory resources. We propose a new framework to convert such LLMs/LMMs into a reduced-dimension…

Machine Learning · Computer Science 2025-05-27 Toshiaki Koike-Akino , Xiangyu Chen , Jing Liu , Ye Wang , Pu , Wang , Matthew Brand

Representation learning has been widely studied in the context of meta-learning, enabling rapid learning of new tasks through shared representations. Recent works such as MAML have explored using fine-tuning-based metrics, which measure the…

Machine Learning · Computer Science 2021-05-06 Kurtland Chua , Qi Lei , Jason D. Lee

Large Language Models (LLMs) have the potential to revolutionize scientific research, yet their robustness and reliability in domain-specific applications remain insufficiently explored. In this study, we evaluate the performance and…

Computation and Language · Computer Science 2025-08-15 Hongchen Wang , Kangming Li , Scott Ramsay , Yao Fehlis , Edward Kim , Jason Hattrick-Simpers

Large language models (LLMs) have shown impressive capabilities across a wide range of language tasks. However, their reasoning process is primarily guided by statistical patterns in training data, which limits their ability to handle novel…

Artificial Intelligence · Computer Science 2025-08-21 Hong Su

Large language models (LLMs) often benefit from intermediate steps of reasoning to generate answers to complex problems. When these intermediate steps of reasoning are used to monitor the activity of the model, it is essential that this…

Machine Learning · Computer Science 2023-11-02 Fabien Roger , Ryan Greenblatt

Large language models (LLMs) sometimes fail to respond appropriately to deterministic tasks -- such as counting or forming acronyms -- because the implicit prior distribution they have learned over sequences of tokens influences their…

Computation and Language · Computer Science 2025-04-18 Liyi Zhang , Veniamin Veselovsky , R. Thomas McCoy , Thomas L. Griffiths

Though large language models (LLMs) have enabled great success across a wide variety of tasks, they still appear to fall short of one of the loftier goals of artificial intelligence research: creating an artificial system that can adapt its…

Computation and Language · Computer Science 2026-05-04 Michael A. Lepori , Tal Linzen , Ann Yuan , Katja Filippova

Large language models (LLMs) have demonstrated impressive capabilities, yet their internal mechanisms for handling reasoning-intensive tasks remain underexplored. To advance the understanding of model-internal processing mechanisms, we…

Computation and Language · Computer Science 2026-04-20 Tanja Baeumel , Josef van Genabith , Simon Ostermann

Large Language Models (LLMs) are transforming language sciences. However, their widespread deployment currently suffers from methodological fragmentation and a lack of systematic soundness. This study proposes two comprehensive…

Computation and Language · Computer Science 2025-12-11 Kun Sun , Rong Wang

Large language models (LLMs) have been applied in various applications due to their astonishing capabilities. With advancements in technologies such as chain-of-thought (CoT) prompting and in-context learning (ICL), the prompts fed to LLMs…

Computation and Language · Computer Science 2023-12-07 Huiqiang Jiang , Qianhui Wu , Chin-Yew Lin , Yuqing Yang , Lili Qiu

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

Large language models (LLMs) have achieved remarkable success across various domains, but effectively incorporating complex and potentially noisy user timeline data into LLMs remains a challenge. Current approaches often involve translating…

Computation and Language · Computer Science 2024-09-11 Lin Ning , Luyang Liu , Jiaxing Wu , Neo Wu , Devora Berlowitz , Sushant Prakash , Bradley Green , Shawn O'Banion , Jun Xie

Large language models (LLMs) have recently achieved significant success across various application domains, garnering substantial attention from different communities. Unfortunately, even for the best LLM, many \textit{faults} still exist…

Software Engineering · Computer Science 2024-11-06 Qiang Hu , Jin Wen , Maxime Cordy , Yuheng Huang , Wei Ma , Xiaofei Xie , Lei Ma

Molecule discovery plays a crucial role in various scientific fields, advancing the design of tailored materials and drugs. However, most of the existing methods heavily rely on domain experts, require excessive computational cost, or…

Computation and Language · Computer Science 2024-05-10 Jiatong Li , Yunqing Liu , Wenqi Fan , Xiao-Yong Wei , Hui Liu , Jiliang Tang , Qing Li

Equation discovery is aimed at directly extracting physical laws from data and has emerged as a pivotal research domain. Previous methods based on symbolic mathematics have achieved substantial advancements, but often require the design of…

Machine Learning · Computer Science 2024-07-23 Mengge Du , Yuntian Chen , Zhongzheng Wang , Longfeng Nie , Dongxiao Zhang