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The capacity of Large Language Models (LLMs) to generate valid scientific hypotheses for materials synthesis remains largely unquantified, hindered by the absence of benchmarks probing physicochemical logics reasoning. To address this, we…

Materials Science · Physics 2025-10-01 Yingming Pu , Tao Lin , Hongyu Chen

Large Language Models (LLMs) evaluation is a patchy and inconsistent landscape, and it is becoming clear that the quality of automatic evaluation metrics is not keeping up with the pace of development of generative models. We aim to improve…

Computation and Language · Computer Science 2023-10-24 Andrea Sottana , Bin Liang , Kai Zou , Zheng Yuan

Large Language Models (LLMs) excel in diverse areas, yet struggle with complex scientific reasoning, especially in the field of chemistry. Different from the simple chemistry tasks (e.g., molecule classification) addressed in previous…

Computation and Language · Computer Science 2024-02-12 Siru Ouyang , Zhuosheng Zhang , Bing Yan , Xuan Liu , Yejin Choi , Jiawei Han , Lianhui Qin

This study is a pioneering endeavor to investigate the capabilities of Large Language Models (LLMs) in addressing conceptual questions within the domain of mechanical engineering with a focus on mechanics. Our examination involves a…

Computation and Language · Computer Science 2024-01-25 Jie Tian , Jixin Hou , Zihao Wu , Peng Shu , Zhengliang Liu , Yujie Xiang , Beikang Gu , Nicholas Filla , Yiwei Li , Ning Liu , Xianyan Chen , Keke Tang , Tianming Liu , Xianqiao Wang

Large Language Models (LLMs) with strong abilities in natural language processing tasks have emerged and have been applied in various kinds of areas such as science, finance and software engineering. However, the capability of LLMs to…

Computation and Language · Computer Science 2023-12-29 Taicheng Guo , Kehan Guo , Bozhao Nan , Zhenwen Liang , Zhichun Guo , Nitesh V. Chawla , Olaf Wiest , Xiangliang Zhang

The purpose of this study is to assess how large language models (LLMs) can be used for fact-checking and contribute to the broader debate on the use of automated means for veracity identification. To achieve this purpose, we use AI…

Computation and Language · Computer Science 2025-03-12 Elizaveta Kuznetsova , Ilaria Vitulano , Mykola Makhortykh , Martha Stolze , Tomas Nagy , Victoria Vziatysheva

Analogical reasoning, the transfer of relational structures across contexts (e.g., planet is to sun as electron is to nucleus), is fundamental to scientific discovery. Yet human insight is often constrained by domain expertise and…

Machine Learning · Computer Science 2025-10-28 Hongyu Guo

The startling success of ChatGPT and other large language models (LLMs) using transformer-based generative neural network architecture in applications such as natural language processing and image synthesis has many researchers excited…

Artificial Intelligence · Computer Science 2024-11-05 Venkat Venkatasubramanian , Arijit Chakraborty

With the rising human-like precision of Large Language Models (LLMs) in numerous tasks, their utilization in a variety of real-world applications is becoming more prevalent. Several studies have shown that LLMs excel on many standard NLP…

Computation and Language · Computer Science 2024-04-03 Rishav Hada , Varun Gumma , Mohamed Ahmed , Kalika Bali , Sunayana Sitaram

In recent years, groundbreaking advancements in natural language processing have culminated in the emergence of powerful large language models (LLMs), which have showcased remarkable capabilities across a vast array of domains, including…

Computation and Language · Computer Science 2023-12-11 Microsoft Research AI4Science , Microsoft Azure Quantum

Significant advancements have been made in one of the most critical branches of artificial intelligence: natural language processing (NLP). These advancements are exemplified by the remarkable success of OpenAI's GPT-3.5/4 and the recent…

Materials Science · Physics 2025-04-22 Zongrui Pei , Junqi Yin , Jiaxin Zhang

Engineering educational curriculum and standards cover many material and manufacturing options. However, engineers and designers are often unfamiliar with certain composite materials or manufacturing techniques. Large language models (LLMs)…

The integration of artificial intelligence into various domains is rapidly increasing, with Large Language Models (LLMs) becoming more prevalent in numerous applications. This work is included in an overall project which aims to train an…

Computational Physics · Physics 2025-01-09 Christophe Bajan , Guillaume Lambard

There is a growing literature on reasoning by large language models (LLMs), but the discussion on the uncertainty in their responses is still lacking. Our aim is to assess the extent of confidence that LLMs have in their answers and how it…

Computation and Language · Computer Science 2024-12-23 Yudi Pawitan , Chris Holmes

Large language models (LLMs) are increasingly embedded in AI-based tutoring systems. Can they faithfully model novice reasoning and metacognitive judgments? Existing evaluations emphasize problem-solving accuracy, overlooking the fragmented…

Computation and Language · Computer Science 2026-05-12 Conrad Borchers , Jill-Jênn Vie , Roger Azevedo

With recent Nobel Prizes recognising AI contributions to science, Large Language Models (LLMs) are transforming scientific research by enhancing productivity and reshaping the scientific method. LLMs are now involved in experimental design,…

Large Language Models (LLMs) are increasingly embedded in software engineering (SE) tools, powering applications such as code generation, automated code review, and bug triage. As these LLM-based AI for Software Engineering (AI4SE) systems…

Software Engineering · Computer Science 2026-04-28 Utku Boran Torun , Veli Karakaya , Ali Babar , Eray Tüzün

Automated fact-checking, using machine learning to verify claims, has grown vital as misinformation spreads beyond human fact-checking capacity. Large Language Models (LLMs) like GPT-4 are increasingly trusted to write academic papers,…

Computation and Language · Computer Science 2024-02-08 Dorian Quelle , Alexandre Bovet

In this paper, we explore the challenges inherent to Large Language Models (LLMs) like GPT-4, particularly their propensity for hallucinations, logic mistakes, and incorrect conclusions when tasked with answering complex questions. The…

Computation and Language · Computer Science 2023-12-22 Xiang Li , Haoran Tang , Siyu Chen , Ziwei Wang , Anurag Maravi , Marcin Abram

Large Language Models frequently generate outputs that appear scientifically reasonable yet violate fundamental principles--a phenomenon we characterize as the "plausibility-validity gap." This challenge proves especially acute in…

Machine Learning · Computer Science 2026-01-07 Malikussaid , Hilal Hudan Nuha , Isman Kurniawan
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