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Large Language Models (LLMs) have benefited enormously from scaling, yet these gains are bounded by five fundamental limitations: (1) hallucination, (2) context compression, (3) reasoning degradation, (4) retrieval fragility, and (5)…

Large Language Models (LLMs) are trained with next-token prediction, implemented in autoregressive Transformers via causal masking for parallelism. This creates a subtle misalignment: residual connections tie activations to the current…

Computation and Language · Computer Science 2026-03-03 Jonathan Lys , Vincent Gripon , Bastien Pasdeloup , Axel Marmoret , Lukas Mauch , Fabien Cardinaux , Ghouthi Boukli Hacene

We study the problem of learning causal representations from unknown, latent interventions in a general setting, where the latent distribution is Gaussian but the mixing function is completely general. We prove strong identifiability…

Machine Learning · Computer Science 2023-12-19 Simon Buchholz , Goutham Rajendran , Elan Rosenfeld , Bryon Aragam , Bernhard Schölkopf , Pradeep Ravikumar

Revealing hidden causal variables alongside the underlying causal mechanisms is essential to the development of science. Despite the progress in the past decades, existing practice in causal discovery (CD) heavily relies on high-quality…

Machine Learning · Computer Science 2025-10-14 Chenxi Liu , Yongqiang Chen , Tongliang Liu , Mingming Gong , James Cheng , Bo Han , Kun Zhang

This study investigates the efficacy of Large Language Models (LLMs) in causal discovery. Using newly available open-source LLMs, OLMo and BLOOM, which provide access to their pre-training corpora, we investigate how LLMs address causal…

Computation and Language · Computer Science 2025-10-13 Tao Feng , Lizhen Qu , Niket Tandon , Zhuang Li , Xiaoxi Kang , Gholamreza Haffari

Recent work found high mutual information between the learned representations of large language models (LLMs) and the geospatial property of its input, hinting an emergent internal model of space. However, whether this internal space model…

Computation and Language · Computer Science 2023-12-29 Yida Chen , Yixian Gan , Sijia Li , Li Yao , Xiaohan Zhao

Designing proper experiments and selecting optimal intervention targets is a longstanding problem in scientific or causal discovery. Identifying the underlying causal structure from observational data alone is inherently difficult.…

Artificial Intelligence · Computer Science 2025-03-05 Junyi Li , Yongqiang Chen , Chenxi Liu , Qianyi Cai , Tongliang Liu , Bo Han , Kun Zhang , Hui Xiong

Large language models (LLMs) encode vast world knowledge in their parameters, yet they remain fundamentally limited by static knowledge, finite context windows, and weakly structured causal reasoning. This survey provides a unified account…

Computation and Language · Computer Science 2026-04-06 Prakhar Bansal , Shivangi Agarwal

Large Language Models (LLMs) have demonstrated impressive capabilities in a wide range of code generation tasks. However, generating code for certain domains remains challenging. One such domain is Computer-Aided Design (CAD) program, where…

Machine Learning · Computer Science 2026-03-10 Yan-Ying Chen , Dule Shu , Matthew Hong , Andrew Taber , Jonathan Li , Matthew Klenk

Causal structure discovery methods are commonly applied to structured data where the causal variables are known and where statistical testing can be used to assess the causal relationships. By contrast, recovering a causal structure from…

Computation and Language · Computer Science 2024-10-10 Gaël Gendron , Jože M. Rožanec , Michael Witbrock , Gillian Dobbie

Accurately predicting 3D structures and dynamics of physical systems is crucial in scientific applications. Existing approaches that rely on geometric Graph Neural Networks (GNNs) effectively enforce $\mathrm{E}(3)$-equivariance, but they…

Machine Learning · Computer Science 2025-02-20 Zongzhao Li , Jiacheng Cen , Bing Su , Wenbing Huang , Tingyang Xu , Yu Rong , Deli Zhao

Recent breakthroughs in artificial intelligence have driven a paradigm shift, where large language models (LLMs) with billions or trillions of parameters are trained on vast datasets, achieving unprecedented success across a series of…

Computation and Language · Computer Science 2024-10-22 Anpeng Wu , Kun Kuang , Minqin Zhu , Yingrong Wang , Yujia Zheng , Kairong Han , Baohong Li , Guangyi Chen , Fei Wu , Kun Zhang

Discrete motion tokenization has recently enabled Large Language Models (LLMs) to serve as versatile backbones for motion understanding and motion-language reasoning. However, existing pipelines typically decouple motion quantization from…

Computer Vision and Pattern Recognition · Computer Science 2026-03-20 Zhankai Ye , Bofan Li , Yukai Jin , Shuoqiu Li , Wei Wang , Yanfu Zhang , Shangqian Gao , Xin Liu

Causal discovery traditionally relies on statistical methods applied to observational data, often requiring large datasets and assumptions about underlying causal structures. Recent advancements in Large Language Models (LLMs) have…

Machine Learning · Computer Science 2025-04-16 Yuni Susanti , Michael Färber

Large Language Models (LLMs) have revolutionised the field of Natural Language Processing (NLP) and have achieved state-of-the-art performance in practically every task in this field. However, the prevalent approach used in text generation,…

Computation and Language · Computer Science 2024-08-12 Nicolo Micheletti , Samuel Belkadi , Lifeng Han , Goran Nenadic

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

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

Large language models have shown impressive results for multi-hop mathematical reasoning when the input question is only textual. Many mathematical reasoning problems, however, contain both text and image. With the ever-increasing adoption…

Computer Vision and Pattern Recognition · Computer Science 2023-12-20 Mehran Kazemi , Hamidreza Alvari , Ankit Anand , Jialin Wu , Xi Chen , Radu Soricut

Multi-modal Large Language Models (MLLMs) have advanced greatly in general tasks. However, they still face challenges in geometric reasoning, a task that requires synergistic integration of visual recognition proficiency and complex…

Computer Vision and Pattern Recognition · Computer Science 2026-02-10 Zhihao Li , Yao Du , Yang Liu , Yan Zhang , Yufang Liu , Mengdi Zhang , Xunliang Cai , Charles Ling , Boyu Wang

Large language models (LLMs) can learn from a few demonstrations provided at inference time. We study this in-context learning phenomenon through the lens of Gaussian Processes (GPs). We build controlled experiments where models observe…

Machine Learning · Computer Science 2026-02-13 Elif Akata , Konstantinos Voudouris , Vincent Fortuin , Eric Schulz
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