English
Related papers

Related papers: Are large language models superhuman chemists?

200 papers

We review discourses about the philosophy of science in qualitative research and evidence from cognitive linguistics in order to ground a framework for discussing the use of Large Language Models (LLMs) to support the qualitative analysis…

Human-Computer Interaction · Computer Science 2024-07-17 James Eschrich , Sarah Sterman

Large language models (LLMs) are a class of artificial intelligence models based on deep learning, which have great performance in various tasks, especially in natural language processing (NLP). Large language models typically consist of…

Quantitative Methods · Quantitative Biology 2025-02-04 Jiajia Liu , Mengyuan Yang , Yankai Yu , Haixia Xu , Tiangang Wang , Kang Li , Xiaobo Zhou

Large Language Models (LLMs) have drawn widespread attention and research due to their astounding performance in text generation and reasoning tasks. Derivative products, like ChatGPT, have been extensively deployed and highly sought after.…

Software Engineering · Computer Science 2024-12-11 Zibin Zheng , Kaiwen Ning , Qingyuan Zhong , Jiachi Chen , Wenqing Chen , Lianghong Guo , Weicheng Wang , Yanlin Wang

Large language models (LLMs) are typically multilingual due to pretraining on diverse multilingual corpora. But can these models relate corresponding concepts across languages, i.e., be crosslingual? This study evaluates state-of-the-art…

Computation and Language · Computer Science 2025-03-05 Lynn Chua , Badih Ghazi , Yangsibo Huang , Pritish Kamath , Ravi Kumar , Pasin Manurangsi , Amer Sinha , Chulin Xie , Chiyuan Zhang

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

Recent developments in large language models (LLMs) have unlocked new opportunities for healthcare, from information synthesis to clinical decision support. These new LLMs are not just capable of modeling language, but can also act as…

Human-Computer Interaction · Computer Science 2023-09-21 Nikita Mehandru , Brenda Y. Miao , Eduardo Rodriguez Almaraz , Madhumita Sushil , Atul J. Butte , Ahmed Alaa

Recent works have successfully applied Large Language Models (LLMs) to function modeling tasks. However, the reasons behind this success remain unclear. In this work, we propose a new evaluation framework to comprehensively assess LLMs'…

Machine Learning · Computer Science 2024-10-08 Shoaib Ahmed Siddiqui , Yanzhi Chen , Juyeon Heo , Menglin Xia , Adrian Weller

Large Language Models (LLMs) create exciting possibilities for powerful language processing tools to accelerate research in materials science. While LLMs have great potential to accelerate materials understanding and discovery, they…

Materials Science · Physics 2024-09-26 Santiago Miret , N M Anoop Krishnan

Large Language Models (LLMs) represent an advanced evolution of earlier, simpler language models. They boast enhanced abilities to handle complex language patterns and generate coherent text, images, audios, and videos. Furthermore, they…

Cryptography and Security · Computer Science 2024-03-01 Jun Huang , Jiawei Zhang , Qi Wang , Weihong Han , Yanchun Zhang

Organic reaction mechanisms are the stepwise elementary reactions by which reactants form intermediates and products, and are fundamental to understanding chemical reactivity and designing new molecules and reactions. Although large…

Artificial Intelligence · Computer Science 2026-05-05 Ruiling Xu , Yifan Zhang , Qingyun Wang , Carl Edwards , Heng Ji

Building effective machine learning (ML) workflows to address complex tasks is a primary focus of the Automatic ML (AutoML) community and a critical step toward achieving artificial general intelligence (AGI). Recently, the integration of…

Machine Learning · Computer Science 2024-12-30 Yang Gu , Hengyu You , Jian Cao , Muran Yu , Haoran Fan , Shiyou Qian

Although large language models (LLMs) have significant potential to advance chemical discovery, current LLMs lack core chemical knowledge, produce unreliable reasoning trajectories, and exhibit suboptimal performance across diverse chemical…

Computational Engineering, Finance, and Science · Computer Science 2025-10-23 Weida Wang , Benteng Chen , Di Zhang , Wanhao Liu , Shuchen Pu , Ben Gao , Jin Zeng , Xiaoyong Wei , Tianshu Yu , Shuzhou Sun , Tianfan Fu , Wanli Ouyang , Lei Bai , Jiatong Li , Zifu Wang , Yuqiang Li , Shufei Zhang

Large Language Models (LLMs) have demonstrated exceptional capabilities in solving various tasks, progressively evolving into general-purpose assistants. The increasing integration of LLMs into society has sparked interest in whether they…

Computation and Language · Computer Science 2025-10-20 Yuan Li , Yue Huang , Hongyi Wang , Ying Cheng , Xiangliang Zhang , James Zou , Lichao Sun

Large language models (LLMs) have led to breakthroughs in language tasks, yet the internal mechanisms that enable their remarkable generalization and reasoning abilities remain opaque. This lack of transparency presents challenges such as…

Computation and Language · Computer Science 2024-04-17 Haiyan Zhao , Fan Yang , Bo Shen , Himabindu Lakkaraju , Mengnan Du

We introduce a comprehensive Linguistic Benchmark designed to evaluate the limitations of Large Language Models (LLMs) in domains such as logical reasoning, spatial intelligence, and linguistic understanding, among others. Through a series…

Artificial Intelligence · Computer Science 2024-06-04 Sean Williams , James Huckle

Large language models (LLMs) are gaining increasing popularity in both academia and industry, owing to their unprecedented performance in various applications. As LLMs continue to play a vital role in both research and daily use, their…

Computation and Language · Computer Science 2024-01-01 Yupeng Chang , Xu Wang , Jindong Wang , Yuan Wu , Linyi Yang , Kaijie Zhu , Hao Chen , Xiaoyuan Yi , Cunxiang Wang , Yidong Wang , Wei Ye , Yue Zhang , Yi Chang , Philip S. Yu , Qiang Yang , Xing Xie

Large Language Models (LLMs) have emerged as powerful tools in the field of Natural Language Processing (NLP) and have recently gained significant attention in the domain of Recommendation Systems (RS). These models, trained on massive…

Information Retrieval · Computer Science 2024-06-19 Likang Wu , Zhi Zheng , Zhaopeng Qiu , Hao Wang , Hongchao Gu , Tingjia Shen , Chuan Qin , Chen Zhu , Hengshu Zhu , Qi Liu , Hui Xiong , Enhong Chen

When we read, we make predictions about upcoming words; these predictions influence our reading behavior. The success of large language models (LLMs), which, like humans, make predictions about upcoming words, has motivated their use as…

Computation and Language · Computer Science 2026-05-27 Byung-Doh Oh , Tal Linzen

Large language models (LLMs) have demonstrated remarkable capabilities across a broad spectrum of tasks. They have attracted significant attention and been deployed in numerous downstream applications. Nevertheless, akin to a double-edged…

Computation and Language · Computer Science 2023-11-28 Zishan Guo , Renren Jin , Chuang Liu , Yufei Huang , Dan Shi , Supryadi , Linhao Yu , Yan Liu , Jiaxuan Li , Bojian Xiong , Deyi Xiong

Large language models (LLMs) have demonstrated remarkable capabilities across diverse tasks, but their ability to forecast future events remains understudied. A year ago, large language models struggle to come close to the accuracy of a…

Machine Learning · Computer Science 2025-08-06 Janna Lu
‹ Prev 1 4 5 6 7 8 10 Next ›