English
Related papers

Related papers: Are large language models superhuman chemists?

200 papers

While automated chemical tools excel at specific tasks, they have struggled to capture the strategic thinking that characterizes expert chemical reasoning. Here we demonstrate that large language models (LLMs) can serve as powerful tools…

Artificial Intelligence · Computer Science 2025-07-25 Andres M Bran , Theo A Neukomm , Daniel P Armstrong , Zlatko Jončev , Philippe Schwaller

Large Language Models(LLMs)have become effective tools for natural language processing and have been used in many different fields. This essay offers a succinct summary of various LLM subcategories. The survey emphasizes recent developments…

Computation and Language · Computer Science 2023-07-21 Saurabh Pahune , Manoj Chandrasekharan

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

Language is essentially a complex, intricate system of human expressions governed by grammatical rules. It poses a significant challenge to develop capable AI algorithms for comprehending and grasping a language. As a major approach,…

Large Language Models (LLMs) are increasingly applied in the fields of mechanical engineering and materials science. As models that establish connections through the interface of language, LLMs can be applied for step-wise reasoning through…

Applied Physics · Physics 2025-07-22 Adrian Ehrenhofer , Thomas Wallmersperger , Gianaurelio Cuniberti

Large Language Models (LLMs) have recently demonstrated remarkable capabilities in natural language processing tasks and beyond. This success of LLMs has led to a large influx of research contributions in this direction. These works…

Computation and Language · Computer Science 2024-10-18 Humza Naveed , Asad Ullah Khan , Shi Qiu , Muhammad Saqib , Saeed Anwar , Muhammad Usman , Naveed Akhtar , Nick Barnes , Ajmal Mian

Large language models (LLMs), a recent advance in deep learning and machine intelligence, have manifested astonishing capacities, now considered among the most promising for artificial general intelligence. With human-like capabilities,…

Artificial Intelligence · Computer Science 2025-09-19 Zhilun Zhou , Jing Yi Wang , Nicholas Sukiennik , Chen Gao , Fengli Xu , Yong Li , James Evans

Large language models (LLMs) are the result of a massive experiment in bottom-up, data-driven reverse engineering of language at scale. Despite their utility in a number of downstream NLP tasks, ample research has shown that LLMs are…

Artificial Intelligence · Computer Science 2024-08-05 Walid S. Saba

Recent advancements in large language models (LLMs) have demonstrated strong potential for enabling domain-specific intelligence. In this work, we present our vision for building an AI-powered chemical brain, which frames chemical…

Artificial Intelligence · Computer Science 2026-01-12 Weichen Dai , Yezeng Chen , Zijie Dai , Yubo Liu , Zhijie Huang , Yixuan Pan , Baiyang Song , Chengli Zhong , Xinhe Li , Zeyu Wang , Zhuoying Feng , Yi Zhou

Large Language Models (LLMs) have emerged as highly capable systems and are increasingly being integrated into various uses. However, the rapid pace of their deployment has outpaced a comprehensive understanding of their internal mechanisms…

Computation and Language · Computer Science 2025-10-27 Gabriele Prato , Jerry Huang , Prasanna Parthasarathi , Shagun Sodhani , Sarath Chandar

Despite their ability to understand chemical knowledge, large language models (LLMs) remain limited in their capacity to propose novel molecules with desired functions (e.g., drug-like properties). In addition, the molecules that LLMs…

Using Large Language Models (LLMs) for Process Mining (PM) tasks is becoming increasingly essential, and initial approaches yield promising results. However, little attention has been given to developing strategies for evaluating and…

Databases · Computer Science 2024-07-01 Alessandro Berti , Humam Kourani , Hannes Hafke , Chiao-Yun Li , Daniel Schuster

Large language models (LLMs) have recently shown impressive performance on tasks involving reasoning, leading to a lively debate on whether these models possess reasoning capabilities similar to humans. However, despite these successes, the…

Computation and Language · Computer Science 2024-08-07 Philipp Mondorf , Barbara Plank

Large language models (LLMs) have demonstrated significant potential in the realm of natural language understanding and programming code processing tasks. Their capacity to comprehend and generate human-like code has spurred research into…

Software Engineering · Computer Science 2024-03-07 Chongzhou Fang , Ning Miao , Shaurya Srivastav , Jialin Liu , Ruoyu Zhang , Ruijie Fang , Asmita , Ryan Tsang , Najmeh Nazari , Han Wang , Houman Homayoun

The adoption of large language models (LLMs) to assist clinicians has attracted remarkable attention. Existing works mainly adopt the close-ended question-answering (QA) task with answer options for evaluation. However, many clinical…

Large language model (LLM) simulations of human behavior have the potential to revolutionize the social and behavioral sciences, if and only if they faithfully reflect real human behaviors. Current evaluations of simulation fidelity are…

Computation and Language · Computer Science 2026-04-14 Tiancheng Hu , Joachim Baumann , Lorenzo Lupo , Nigel Collier , Dirk Hovy , Paul Röttger

Large Language Models (LLMs) have garnered considerable interest due to their impressive natural language capabilities, which in conjunction with various emergent properties make them versatile tools in workflows ranging from complex code…

Materials Science · Physics 2024-10-22 Ge Lei , Ronan Docherty , Samuel J. Cooper

Recently, Large Language Models (LLM) have demonstrated impressive capability to solve a wide range of tasks. However, despite their success across various tasks, no prior work has investigated their capability in the biomedical domain yet.…

Computation and Language · Computer Science 2024-02-21 Israt Jahan , Md Tahmid Rahman Laskar , Chun Peng , Jimmy Huang

Large Language Models (LLMs) have emerged as a powerful tool in advancing the Text-to-SQL task, significantly outperforming traditional methods.Nevertheless, as a nascent research field, there is still no consensus on the optimal prompt…

Computation and Language · Computer Science 2026-03-20 Bin Zhang , Yuxiao Ye , Guoqing Du , Xiaoru Hu , Zhishuai Li , Chi Harold Liu , Zhiwei Xu , Guoliang Fan , Rui Zhao , Ziyue Li , Hangyu Mao

With the release of ChatGPT and other large language models (LLMs) the discussion about the intelligence, possibilities, and risks, of current and future models have seen large attention. This discussion included much debated scenarios…

Artificial Intelligence · Computer Science 2024-07-31 Nils Körber , Silvan Wehrli , Christopher Irrgang