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The capabilities of large language models (LLMs) have expanded beyond natural language processing to scientific prediction tasks, including molecular property prediction. However, their effectiveness in in-context learning remains…

Large language models (LLMs), trained on vast datasets, encode extensive real-world knowledge within their parameters, yet their black-box nature obscures the mechanisms and extent of this encoding. Surrogate modeling, which uses simplified…

Computation and Language · Computer Science 2026-04-24 Changho Han , Songsoo Kim , Dong Won Kim , Leo Anthony Celi , Jaewoong Kim , SungA Bae , Dukyong Yoon

When we integrate factual knowledge from knowledge graphs (KGs) into large language models (LLMs) to enhance their performance, the cost of injection through training increases with the scale of the models. Consequently, there is…

Computation and Language · Computer Science 2025-01-24 Xinbang Dai , Yuncheng Hua , Tongtong Wu , Yang Sheng , Qiu Ji , Guilin Qi

Large language models (LLMs) have achieved a milestone that undenia-bly changed many held beliefs in artificial intelligence (AI). However, there remains many limitations of these LLMs when it comes to true language understanding,…

Computation and Language · Computer Science 2023-07-28 Walid S. Saba

Large Language Models (LLMs) have demonstrated strong generalization across a wide range of tasks. Reasoning with LLMs is central to solving multi-step problems and complex decision-making. To support efficient reasoning, recent studies…

Computation and Language · Computer Science 2025-09-03 Jindong Li , Yali Fu , Li Fan , Jiahong Liu , Yao Shu , Chengwei Qin , Menglin Yang , Irwin King , Rex Ying

This paper is under review in AI and Ethics This study examines whether large language models (LLMs) can reliably answer scientific questions and demonstrates how easily they can be influenced by fringe scientific material. The authors…

Computers and Society · Computer Science 2026-04-29 Harry Collins , Hartmut Grote , Paul Newbury , Patrick Sutton , Simon Thorne

In this paper, we explain the inference logic of large language models (LLMs) as a set of symbolic concepts. Many recent studies have discovered that traditional DNNs usually encode sparse symbolic concepts. However, because an LLM has much…

Computation and Language · Computer Science 2023-04-04 Wen Shen , Lei Cheng , Yuxiao Yang , Mingjie Li , Quanshi Zhang

The opaque nature of Large Language Models (LLMs) has led to significant research efforts aimed at enhancing their interpretability, primarily through post-hoc methods. More recent in-hoc approaches, such as Concept Bottleneck Models…

Machine Learning · Computer Science 2025-02-20 Or Raphael Bidusa , Shaul Markovitch

Understanding the internal representations of large language models (LLMs) can help explain models' behavior and verify their alignment with human values. Given the capabilities of LLMs in generating human-understandable text, we propose…

Computation and Language · Computer Science 2024-06-10 Asma Ghandeharioun , Avi Caciularu , Adam Pearce , Lucas Dixon , Mor Geva

Large language models (LLMs) are rapidly transforming materials science. This review examines recent LLM applications across the materials discovery pipeline, focusing on three key areas: mining scientific literature , predictive modelling,…

Computation and Language · Computer Science 2025-11-17 Fengxu Yang , Weitong Chen , Jack D. Evans

The ability of Large Language Models (LLMs) to encode syntactic and semantic structures of language is well examined in NLP. Additionally, analogy identification, in the form of word analogies are extensively studied in the last decade of…

Computation and Language · Computer Science 2024-02-07 Thilini Wijesiriwardene , Ruwan Wickramarachchi , Aishwarya Naresh Reganti , Vinija Jain , Aman Chadha , Amit Sheth , Amitava Das

Over the past year, the development of large language models (LLMs) has brought spatial intelligence into focus, with much attention on vision-based embodied intelligence. However, spatial intelligence spans a broader range of disciplines…

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

Since Pretrained Language Models (PLMs) are the cornerstone of the most recent Information Retrieval (IR) models, the way they encode semantic knowledge is particularly important. However, little attention has been given to studying the…

Computation and Language · Computer Science 2023-12-18 Jesús Lovón-Melgarejo , Jose G. Moreno , Romaric Besançon , Olivier Ferret , Lynda Tamine

The emergence of large language models offers new possibilities for structured exploration of scientific knowledge. Rather than viewing scientific discovery as isolated ideas or content, we propose a structured approach that emphasizes the…

Artificial Intelligence · Computer Science 2025-04-15 Junlan Chen , Kexin Zhang , Daifeng Li , Yangyang Feng , Yuxuan Zhang , Bowen Deng

Citation practices are crucial in shaping the structure of scientific knowledge, yet they are often influenced by contemporary norms and biases. The emergence of Large Language Models (LLMs) introduces a new dynamic to these practices.…

Digital Libraries · Computer Science 2024-08-27 Andres Algaba , Carmen Mazijn , Vincent Holst , Floriano Tori , Sylvia Wenmackers , Vincent Ginis

Large Language Models (LLMs) are transforming scientific hypothesis generation and validation by enabling information synthesis, latent relationship discovery, and reasoning augmentation. This survey provides a structured overview of…

Large Language Models (LLMs) have been shown to organize the representations of input sequences into straighter neural trajectories in their deep layers, which has been hypothesized to facilitate next-token prediction via linear…

Computation and Language · Computer Science 2026-02-02 Eghbal A. Hosseini , Yuxuan Li , Yasaman Bahri , Declan Campbell , Andrew Kyle Lampinen

The advent of Large Language Models (LLMs) represents a turning point in the theoretical foundations of Information Systems Engineering. Beyond their technical significance, LLMs challenge the ontological, epistemological, and semiotic…

Software Engineering · Computer Science 2026-03-19 José Palazzo Moreira de Oliveira

Large Language Models (LLMs) still struggle with multi-step logical reasoning. Existing approaches either purely refine the reasoning chain in natural language form or attach a symbolic solver as an external module. In this work, we instead…

Computation and Language · Computer Science 2026-04-22 Feihao Fang , My T. Thai , Yuanyuan Lei
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