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Large Language Models (LLMs) have been shown to be effective models of the human language system, with some models predicting most explainable variance of brain activity in current datasets. Even in untrained models, the representations…

Computation and Language · Computer Science 2024-06-24 Badr AlKhamissi , Greta Tuckute , Antoine Bosselut , Martin Schrimpf

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

Multimodal Large Language Models (MLLMs) have shown strong performance in multi-image cross-modal retrieval, yet suffer from severe position bias, where predictions are dominated by input order rather than semantic relevance. Through…

Computer Vision and Pattern Recognition · Computer Science 2026-05-13 Mingtao Xian , Yifeng Yang , Qinying Gu , Xinbing Wang , Nanyang Ye

Current multimodal large language models (MLLMs) often underperform on mathematical problem-solving tasks that require fine-grained visual understanding. The limitation is largely attributable to inadequate perception of geometric…

Computer Vision and Pattern Recognition · Computer Science 2025-01-14 Shan Zhang , Aotian Chen , Yanpeng Sun , Jindong Gu , Yi-Yu Zheng , Piotr Koniusz , Kai Zou , Anton van den Hengel , Yuan Xue

Self-attention networks have shown remarkable progress in computer vision tasks such as image classification. The main benefit of the self-attention mechanism is the ability to capture long-range feature interactions in attention-maps.…

Computer Vision and Pattern Recognition · Computer Science 2021-03-19 Andong Tan , Duc Tam Nguyen , Maximilian Dax , Matthias Nießner , Thomas Brox

The surprising ability of Large Language Models (LLMs) to perform well on complex reasoning with only few-shot chain-of-thought prompts is believed to emerge only in very large-scale models (100+ billion parameters). We show that such…

Computation and Language · Computer Science 2023-01-31 Yao Fu , Hao Peng , Litu Ou , Ashish Sabharwal , Tushar Khot

Recent advances in large language models (LLMs) have significantly boosted long-context processing. However, the increasing key-value (KV) cache size poses critical challenges to memory and execution efficiency. Most KV cache compression…

Computation and Language · Computer Science 2025-08-05 Xiaolin Lin , Jingcun Wang , Olga Kondrateva , Yiyu Shi , Bing Li , Grace Li Zhang

Large Language Models (LLMs) are becoming very popular and are used for many different purposes, including creative tasks in the arts. However, these models sometimes have trouble with specific reasoning tasks, especially those that involve…

Computation and Language · Computer Science 2024-09-10 Anna Kruspe

LLMs have achieved remarkable success in complex reasoning tasks, yet current evaluation approaches predominantly rely on final-answer correctness, offering limited insight into the underlying reasoning processes that produce those answers.…

Artificial Intelligence · Computer Science 2026-05-26 Ali Şenol , Garima Agrawal , Huan Liu

Geometric spatial reasoning forms the foundation of many applications in artificial intelligence, yet the ability of large language models (LLMs) to operate over geometric spatial information expressed in procedural code remains…

Artificial Intelligence · Computer Science 2026-02-11 Shixian Luo , Zezhou Zhu , Yu Yuan , Yuncheng Yang , Lianlei Shan , Yong Wu

Large language models (LLMs) often produce unsupported or unverifiable content, known as "hallucinations." To mitigate this, retrieval-augmented LLMs incorporate citations, grounding the content in verifiable sources. Despite such…

Information Retrieval · Computer Science 2024-08-26 Weijia Zhang , Mohammad Aliannejadi , Yifei Yuan , Jiahuan Pei , Jia-Hong Huang , Evangelos Kanoulas

Although large language models (LLMs) have demonstrated remarkable performance, the lack of transparency in their inference logic raises concerns about their trustworthiness. To gain a better understanding of LLMs, we conduct a detailed…

Computation and Language · Computer Science 2024-07-26 Jie Ren , Qipeng Guo , Hang Yan , Dongrui Liu , Quanshi Zhang , Xipeng Qiu , Dahua Lin

Existing Multimodal Large Language Models (MLLMs) process a large number of visual tokens, leading to significant computational costs and inefficiency. Instruction-related visual token compression demonstrates strong task relevance, which…

Computer Vision and Pattern Recognition · Computer Science 2026-05-05 Lei Lei , Jie Gu , Xiaokang Ma , Chu Tang , Jingmin Chen , Tong Xu

Large Language Models (LLMs) are widely deployed in real-world applications, yet little is known about their training dynamics at the token level. Evaluation typically relies on aggregated training loss, measured at the batch level, which…

Computation and Language · Computer Science 2024-10-17 Andrea Pinto , Tomer Galanti , Randall Balestriero

This study investigates the performance of the DeepSeek R1 language model on 30 challenging mathematical problems derived from the MATH dataset, problems that previously proved unsolvable by other models under time constraints. Unlike prior…

Machine Learning · Computer Science 2025-01-31 Evgenii Evstafev

We introduce refined variants of the Local Learning Coefficient (LLC), a measure of model complexity grounded in singular learning theory, to study the development of internal structure in transformer language models during training. By…

Machine Learning · Computer Science 2024-10-07 George Wang , Jesse Hoogland , Stan van Wingerden , Zach Furman , Daniel Murfet

While general-purpose Large Language Models (LLMs) applied to Geology often hallucinate when reasoning about subsurface structures and deep-time evolution, current AI in Earth sciences predominantly targets surface remote sensing and GIS.…

Artificial Intelligence · Computer Science 2026-05-26 Chenyou Guo , Zongqi Liu , Yizhou Zhang , Zhaorui Jiang , Ze Liu

Vision Language Models (VLMs) mix visual tokens and text tokens. A puzzling issue is the fact that visual tokens most related to the query receive little to no attention in the final layers of the LLM module of VLMs from the answer tokens,…

Computer Vision and Pattern Recognition · Computer Science 2025-11-18 Parsa Esmaeilkhani , Longin Jan Latecki

Large language models (LLMs) have achieved state-of-the-art performance in a variety of tasks, but remain largely opaque in terms of their internal mechanisms. Understanding these mechanisms is crucial to improve their reasoning abilities.…

Neurons and Cognition · Quantitative Biology 2025-12-15 Xueqi Ma , Jun Wang , Yanbei Jiang , Sarah Monazam Erfani , Tongliang Liu , James Bailey

This paper bridges internal and external analysis approaches to large language models (LLMs) by demonstrating that geometric properties of internal model representations serve as reliable proxies for evaluating generated text quality. We…

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