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Materials discovery and development are critical for addressing global challenges. Yet, the exponential growth in materials science literature comprising vast amounts of textual data has created significant bottlenecks in knowledge…

The advancement of Large Language Models (LLMs), including GPT-4, provides exciting new opportunities for generative design. We investigate the application of this tool across the entire design and manufacturing workflow. Specifically, we…

Large Language Models (LLMs), exemplified by ChatGPT, have significantly reshaped text generation, particularly in the realm of writing assistance. While ethical considerations underscore the importance of transparently acknowledging LLM…

Information Retrieval · Computer Science 2025-09-03 Teddy Lazebnik , Ariel Rosenfeld

Large Language Models (LLMs) are transformer-based machine learning models that have shown remarkable performance in tasks for which they were not explicitly trained. Here, we explore the potential of LLMs to perform symbolic regression --…

Computation and Language · Computer Science 2026-04-17 Samiha Sharlin , Tyler R. Josephson

Large language models (LLMs) offer emerging opportunities for psychological and behavioral research, but methodological guidance is lacking. This article provides a framework for using LLMs as psychological simulators across two primary…

Computers and Society · Computer Science 2026-04-07 Zhicheng Lin

Causal reasoning is a core component of intelligence. Large language models (LLMs) have shown impressive capabilities in generating human-like text, raising questions about whether their responses reflect true understanding or statistical…

Artificial Intelligence · Computer Science 2025-06-09 Hanna M. Dettki , Brenden M. Lake , Charley M. Wu , Bob Rehder

Large Language Models (LLMs) are increasingly deployed to automatically label and analyze educational dialogue at scale, yet current pipelines lack reliable ways to detect when models are wrong. We investigate whether reasoning generated by…

Computation and Language · Computer Science 2026-02-11 Bakhtawar Ahtisham , Kirk Vanacore , Zhuqian Zhou , Jinsook Lee , Rene F. Kizilcec

Representations from large language models are highly effective at predicting BOLD fMRI responses to language stimuli. However, these representations are largely opaque: it is unclear what features of the language stimulus drive the…

Computation and Language · Computer Science 2025-03-04 Richard Antonello , Chandan Singh , Shailee Jain , Aliyah Hsu , Sihang Guo , Jianfeng Gao , Bin Yu , Alexander Huth

While Large Language Models (LLMs) are being quickly adapted to many domains, including healthcare, their strengths and pitfalls remain under-explored. In our study, we examine the effects of prompt engineering to guide Large Language…

Computation and Language · Computer Science 2024-09-04 Daniil Filienko , Yinzhou Wang , Caroline El Jazmi , Serena Xie , Trevor Cohen , Martine De Cock , Weichao Yuwen

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

Object search in large-scale, unstructured environments remains a fundamental challenge in robotics, particularly in dynamic or expansive settings such as outdoor autonomous exploration. This task requires robust spatial reasoning and the…

Robotics · Computer Science 2025-05-29 Lanxiang Zheng , Ruidong Mei , Mingxin Wei , Hao Ren , Hui Cheng

An accurate differential diagnosis (DDx) is a cornerstone of medical care, often reached through an iterative process of interpretation that combines clinical history, physical examination, investigations and procedures. Interactive…

Large language models (LLMs) are powerful artificial intelligence (AI) tools transforming how research is conducted. However, their use in research has been met with skepticism, due to concerns about hallucinations, biases and potential…

Artificial Intelligence · Computer Science 2025-07-08 Ruian Ke , Ruy M. Ribeiro

Large language models (LLMs) make remarkable progress in reasoning tasks. Among different reasoning modes, inductive reasoning, due to its better alignment with human learning, attracts increasing interest. However, research on inductive…

Computation and Language · Computer Science 2025-10-17 Kedi Chen , Zhikai Lei , Xu Guo , Xuecheng Wu , Siyuan Zeng , Jianghao Yin , Yinqi Zhang , Qin Chen , Jie Zhou , Liang He , Qipeng Guo , Kai Chen , Wei Zhang

Can we leverage LLMs to model the process of discovering novel language model (LM) architectures? Inspired by real research, we propose a multi-agent LLM approach that simulates the conventional stages of research, from ideation and…

Artificial Intelligence · Computer Science 2025-06-26 Junyan Cheng , Peter Clark , Kyle Richardson

The ability to perform causal reasoning is widely considered a core feature of intelligence. In this work, we investigate whether large language models (LLMs) can coherently reason about causality. Much of the existing work in natural…

Large language models (LLMs) integrated with autonomous agents hold significant potential for advancing scientific discovery through automated reasoning and task execution. However, applying LLM agents to drug discovery is still constrained…

Artificial Intelligence · Computer Science 2025-07-29 Kun Li , Zhennan Wu , Shoupeng Wang , Jia Wu , Shirui Pan , Wenbin Hu

In this paper, we consider the process of transforming causal domain knowledge into a representation that aligns more closely with guidelines from causal data science. To this end, we introduce two novel tasks related to distilling causal…

Computation and Language · Computer Science 2024-11-26 Houssam Razouk , Leonie Benischke , Georg Niess , Roman Kern

Large language models (LLMs) are now deployed at unprecedented scale, assisting millions of users in daily tasks. However, the risk of these models assisting unlawful activities remains underexplored. In this study, we define this high-risk…

Computers and Society · Computer Science 2025-11-27 Xing Wang , Huiyuan Xie , Yiyan Wang , Chaojun Xiao , Huimin Chen , Holli Sargeant , Felix Steffek , Jie Shao , Zhiyuan Liu , Maosong Sun

Large Language Models (LLMs) have demonstrated their transformative potential across numerous disciplinary studies, reshaping the existing research methodologies and fostering interdisciplinary collaboration. However, a systematic…

Computation and Language · Computer Science 2025-07-14 Lu Xiang , Yang Zhao , Yaping Zhang , Chengqing Zong