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Commonsense knowledge is essential for machines to reason about the world. Large language models (LLMs) have demonstrated their ability to perform almost human-like text generation. Despite this success, they fall short as trustworthy…

Artificial Intelligence · Computer Science 2024-10-18 Hannah YoungEun An , Lenhart K. Schubert

Molecular property prediction is essential in chemistry, especially for drug discovery applications. However, available molecular property data is often limited, encouraging the transfer of information from related data. Transfer learning…

Machine Learning · Computer Science 2022-07-07 Johan Broberg , Maria Bånkestad , Erik Ylipää

Predicting the biophysical and functional properties of proteins is essential for in silico protein design. Machine learning has emerged as a promising technique for such prediction tasks. However, the relative scarcity of in vitro…

Machine Learning · Computer Science 2025-07-17 Jacob Beck , Shikha Surana , Manus McAuliffe , Oliver Bent , Thomas D. Barrett , Juan Jose Garau Luis , Paul Duckworth

This paper presents INPROVF, an automatic framework that combines large language models (LLMs) and formal methods to speed up the repair process of high-level robot controllers. Previous approaches based solely on formal methods are…

Robotics · Computer Science 2025-03-19 Qian Meng , Jin Peng Zhou , Kilian Q. Weinberger , Hadas Kress-Gazit

The performance of large language models (LLMs) has recently improved to the point where models can perform well on many language tasks. We show here that--for the first time--the models can also generate valid metalinguistic analyses of…

Computation and Language · Computer Science 2025-07-14 Gašper Beguš , Maksymilian Dąbkowski , Ryan Rhodes

Large Language Models (LLMs) have significantly transformed our daily life and established a new paradigm in natural language processing (NLP). However, the predominant pretraining of LLMs on extensive web-based texts remains insufficient…

Chemical Physics · Physics 2024-12-31 Yang Han , Ziping Wan , Lu Chen , Kai Yu , Xin Chen

Large Language Models (LLMs) have shown to be a great success in a wide range of applications ranging from regular NLP-based use cases to AI agents. LLMs have been trained on a vast corpus of texts from various sources; despite the best…

Computation and Language · Computer Science 2024-11-26 Abhinav Joshi , Shaswati Saha , Divyaksh Shukla , Sriram Vema , Harsh Jhamtani , Manas Gaur , Ashutosh Modi

There has been recent interest in whether large language models (LLMs) can introspect about their own internal states. Such abilities would make LLMs more interpretable, and also validate the use of standard introspective methods in…

Computation and Language · Computer Science 2025-09-25 Siyuan Song , Jennifer Hu , Kyle Mahowald

Designing functional transition metal complexes (TMCs) faces challenges due to the vast search space of metals and ligands, requiring efficient optimization strategies. Traditional genetic algorithms (GAs) are commonly used, employing…

Chemical Physics · Physics 2024-10-25 Jieyu Lu , Zhangde Song , Qiyuan Zhao , Yuanqi Du , Yirui Cao , Haojun Jia , Chenru Duan

Predicting mechanical properties in metal additive manufacturing (MAM) is essential for ensuring the performance and reliability of printed parts, as well as their suitability for specific applications. However, conducting experiments to…

Machine Learning · Computer Science 2024-11-01 Parand Akbari , Masoud Zamani , Amir Mostafaei

In recent years, Large Language Models (LLMs) have achieved significant success in natural language processing (NLP) and various interdisciplinary areas. However, applying LLMs to chemistry is a complex task that requires specialized domain…

Machine Learning · Computer Science 2024-02-05 Chang Liao , Yemin Yu , Yu Mei , Ying Wei

The impressive linguistic abilities of large language models (LLMs) have recommended them as models of human sentence processing, with some conjecturing a positive 'quality-power' relationship (Wilcox et al., 2023), in which language…

Computation and Language · Computer Science 2025-05-20 Yi-Chien Lin , Hongao Zhu , William Schuler

One of the current trends in robotics is to employ large language models (LLMs) to provide non-predefined command execution and natural human-robot interaction. It is useful to have an environment map together with its language…

Robotics · Computer Science 2025-01-09 Evgenii Kruzhkov , Sven Behnke

Large language models (LLMs) have significantly transformed the landscape of artificial intelligence by demonstrating their ability in generating human-like text across diverse topics. However, despite their impressive capabilities, LLMs…

The usefulness of Large Language Models (LLM) is being continuously tested in various fields. However, their intrinsic linguistic characteristic is still one of the limiting factors when applying these models to exact sciences. In this…

Artificial Intelligence · Computer Science 2024-09-24 Jonathan Paul Driemeyer Brown , Tiago Oliveira Weber

Estimating item difficulty through field-testing is often resource-intensive and time-consuming. As such, there is strong motivation to develop methods that can predict item difficulty at scale using only the item content. Large Language…

Computers and Society · Computer Science 2026-03-10 Pooya Razavi , Sonya Powers

Discovery of novel and promising materials is a critical challenge in the field of chemistry and material science, traditionally approached through methodologies ranging from trial-and-error to machine learning-driven inverse design. Recent…

Machine Learning · Computer Science 2024-12-13 Dong Hyeon Mok , Seoin Back

Large language models trained predominantly on high-resource languages exhibit systematic biases toward dominant typological patterns, leading to structural non-conformance when translating into typologically divergent low-resource…

Computation and Language · Computer Science 2026-02-03 Nipuna Abeykoon , Ashen Weerathunga , Pubudu Wijesinghe , Parameswari Krishnamurthy

Artificial intelligence and machine learning have shown great promise in their ability to accelerate novel materials discovery. As researchers and domain scientists seek to unify and consolidate chemical knowledge, the case for models with…

Materials design often relies on human-generated hypotheses, a process inherently limited by cognitive constraints such as knowledge gaps and limited ability to integrate and extract knowledge implications, particularly when…

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