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Understanding what defines a good representation in large language models (LLMs) is fundamental to both theoretical understanding and practical applications. In this paper, we investigate the quality of intermediate representations in…

Machine Learning · Computer Science 2024-12-13 Oscar Skean , Md Rifat Arefin , Yann LeCun , Ravid Shwartz-Ziv

Pretrained molecular encoders have become indispensable in computational chemistry for tasks such as property prediction and molecular generation. However, the standard practice of relying solely on final-layer embeddings for downstream…

Machine Learning · Computer Science 2025-10-16 Luis Pinto

Recent advances in Large Language Models (LLMs) have opened new perspectives for automation in optimization. While several studies have explored how LLMs can generate or solve optimization models, far less is understood about what these…

Artificial Intelligence · Computer Science 2025-12-16 Francesca Da Ros , Luca Di Gaspero , Kevin Roitero

Transformer-based Large Language Models (LLMs) traditionally rely on final-layer loss for training and final-layer representations for predictions, potentially overlooking the predictive power embedded in intermediate layers. Surprisingly,…

Computation and Language · Computer Science 2024-10-18 Haoyan Luo , Lucia Specia

Understanding the latent space geometry of large language models (LLMs) is key to interpreting their behavior and improving alignment. Yet it remains unclear to what extent LLMs linearly organize representations related to semantic…

Computation and Language · Computer Science 2026-01-22 Baturay Saglam , Paul Kassianik , Blaine Nelson , Sajana Weerawardhena , Yaron Singer , Amin Karbasi

Research has repeatedly demonstrated that intermediate hidden states extracted from large language models are able to predict measured brain response to natural language stimuli. Yet, very little is known about the representation properties…

Computation and Language · Computer Science 2026-03-16 Emily Cheng , Richard J. Antonello

While large language models demonstrate remarkable capabilities at task-specific applications through fine-tuning, extending these benefits across diverse languages is essential for broad accessibility. However, effective cross-lingual…

Computation and Language · Computer Science 2025-06-03 Danni Liu , Jan Niehues

The advancement of Multimodal Large Language Models (MLLMs) has greatly accelerated the development of applications in understanding integrated texts and images. Recent works leverage image-caption datasets to train MLLMs, achieving…

Computation and Language · Computer Science 2024-11-22 Mingxu Tao , Quzhe Huang , Kun Xu , Liwei Chen , Yansong Feng , Dongyan Zhao

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

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

Confidence calibration, the alignment of a model's predicted confidence with its actual accuracy, is crucial for the reliable deployment of Large Language Models (LLMs). However, this critical property remains largely under-explored in…

Computation and Language · Computer Science 2025-10-06 Ej Zhou , Caiqi Zhang , Tiancheng Hu , Chengzu Li , Nigel Collier , Ivan Vulić , Anna Korhonen

Over the past decade, deep learning has proven to be a highly effective tool for learning meaningful features from raw data. However, it remains an open question how deep networks perform hierarchical feature learning across layers. In this…

Machine Learning · Computer Science 2025-11-17 Peng Wang , Xiao Li , Can Yaras , Zhihui Zhu , Laura Balzano , Wei Hu , Qing Qu

Multilingual Large Language Models (LLMs) can process many languages, yet how they internally represent this diversity remains unclear. Do they form shared multilingual representations with language-specific decoding, and if so, why does…

Computation and Language · Computer Science 2026-02-10 Abir Harrasse , Florent Draye , Punya Syon Pandey , Zhijing Jin , Bernhard Schölkopf

Transformer-based language models create hidden representations of their inputs at every layer, but only use final-layer representations for prediction. This obscures the internal decision-making process of the model and the utility of its…

Computation and Language · Computer Science 2024-06-21 Alexander Yom Din , Taelin Karidi , Leshem Choshen , Mor Geva

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

Large language models (LLMs) contain substantial factual knowledge which is commonly elicited by multiple-choice question-answering prompts. Internally, such models process the prompt through multiple transformer layers, building varying…

Computation and Language · Computer Science 2025-01-31 Didier Chételat , Joseph Cotnareanu , Rylee Thompson , Yingxue Zhang , Mark Coates

Recent studies suggest that the deeper layers of Large Language Models (LLMs) contribute little to representation learning and can often be removed without significant performance loss. However, such claims are typically drawn from narrow…

Artificial Intelligence · Computer Science 2026-01-28 Xinyuan Song , Keyu Wang , PengXiang Li , Lu Yin , Shiwei Liu

Research has repeatedly demonstrated that intermediate hidden states extracted from large language models and speech audio models predict measured brain response to natural language stimuli. Yet, very little is known about the…

Computation and Language · Computer Science 2026-05-05 Emily Cheng , Aditya R. Vaidya , Richard Antonello

Large Language Models (LLMs) often exhibit a gap between their internal knowledge and their explicit linguistic outputs. In this report, we empirically investigate whether Looped Transformers (LTs)--architectures that increase computational…

Computation and Language · Computer Science 2026-01-16 Guanxu Chen , Dongrui Liu , Jing Shao

This research aims to unravel how large language models (LLMs) iteratively refine token predictions through internal processing. We utilized a logit lens technique to analyze the model's token predictions derived from intermediate…

Computation and Language · Computer Science 2025-06-10 Jaturong Kongmanee
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