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What can large language models learn? By definition, language models (LM) are distributions over strings. Therefore, an intuitive way of addressing the above question is to formalize it as a matter of learnability of classes of…

Computation and Language · Computer Science 2025-01-14 Nadav Borenstein , Anej Svete , Robin Chan , Josef Valvoda , Franz Nowak , Isabelle Augenstein , Eleanor Chodroff , Ryan Cotterell

Optimizing training performance in large language models (LLMs) remains an essential challenge, particularly in improving model performance while maintaining computational costs. This work challenges the conventional approach of training…

Computation and Language · Computer Science 2025-11-04 Chun-Hao Yang , Bo-Han Feng , Tzu-Yuan Lai , Yan Yu Chen , Yin-Kai Dean Huang , Shou-De Lin

Recent advances in Large Language Models (LLMs) have opened new perspectives for automation in optimization. While several studies have explored how LLMs can generate or solve optimization models, far less is understood about what these…

Artificial Intelligence · Computer Science 2025-12-16 Francesca Da Ros , Luca Di Gaspero , Kevin Roitero

Recent work exploring the capabilities of pre-trained large language models (LLMs) has demonstrated their ability to act as general pattern machines by completing complex token sequences representing a wide array of tasks, including…

Computers and Society · Computer Science 2024-03-25 Seyed Parsa Neshaei , Richard Lee Davis , Adam Hazimeh , Bojan Lazarevski , Pierre Dillenbourg , Tanja Käser

Large Language Models (LLMs) have made significant progress in various fields. However, challenges remain in Multi-Disciplinary Team (MDT) medical consultations. Current research enhances reasoning through role assignment, task…

Artificial Intelligence · Computer Science 2025-03-19 Kai Chen , Xinfeng Li , Tianpei Yang , Hewei Wang , Wei Dong , Yang Gao

Large language models (LLMs) acquire knowledge across diverse domains such as science, history, and geography encountered during generative pre-training. However, due to their stochasticity, it is difficult to predict what LLMs have…

Computation and Language · Computer Science 2026-01-27 Kartik Sharma , Yiqiao Jin , Rakshit Trivedi , Srijan Kumar

In this work, we evaluate the potential of Large Language Models (LLMs) in building Bayesian Networks (BNs) by approximating domain expert priors. LLMs have demonstrated potential as factual knowledge bases; however, their capability to…

Computation and Language · Computer Science 2025-08-12 Aliakbar Nafar , Kristen Brent Venable , Zijun Cui , Parisa Kordjamshidi

Large Language Models (LLMs) have made great strides in areas such as language processing and computer vision. Despite the emergence of diverse techniques to improve few-shot learning capacity, current LLMs fall short in handling the…

Biomolecules · Quantitative Biology 2024-05-14 Xianggen Liu , Yan Guo , Haoran Li , Jin Liu , Shudong Huang , Bowen Ke , Jiancheng Lv

Despite widespread success in language understanding and generation, large language models (LLMs) exhibit unclear and often inconsistent behavior when faced with tasks that require probabilistic reasoning. In this work, we present the first…

Computation and Language · Computer Science 2025-09-29 Mobina Pournemat , Keivan Rezaei , Gaurang Sriramanan , Arman Zarei , Jiaxiang Fu , Yang Wang , Hamid Eghbalzadeh , Soheil Feizi

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

With the rapid advancement of large language models (LLMs) for handling complex language tasks, an increasing number of studies are employing LLMs as agents to emulate the sequential decision-making processes of humans often represented as…

Computation and Language · Computer Science 2024-12-19 Jia Gu , Liang Pang , Huawei Shen , Xueqi Cheng

Large language models (LLMs) have demonstrated remarkable capabilities across various NLP tasks. However, their computational costs are prohibitively high. To address this issue, previous research has attempted to distill the knowledge of…

Computation and Language · Computer Science 2024-03-12 Chengyuan Liu , Yangyang Kang , Fubang Zhao , Kun Kuang , Zhuoren Jiang , Changlong Sun , Fei Wu

Language model (LM) pre-training is useful in many language processing tasks. But can pre-trained LMs be further leveraged for more general machine learning problems? We propose an approach for using LMs to scaffold learning and…

The development of highly fluent large language models (LLMs) has prompted increased interest in assessing their reasoning and problem-solving capabilities. We investigate whether several LLMs can solve a classic type of deductive reasoning…

Computation and Language · Computer Science 2024-04-16 Spencer M. Seals , Valerie L. Shalin

Molecular property prediction (MPP) is a crucial task in the drug discovery pipeline, which has recently gained considerable attention thanks to advances in deep neural networks. However, recent research has revealed that deep models…

Machine Learning · Computer Science 2023-07-03 Jun Xia , Lecheng Zhang , Xiao Zhu , Stan Z. Li

We demonstrate the ability of large language models (LLMs) to perform material and molecular property regression tasks, a significant deviation from the conventional LLM use case. We benchmark the Large Language Model Meta AI (LLaMA) 3 on…

Materials Science · Physics 2026-04-22 Ryan Jacobs , Maciej P. Polak , Lane E. Schultz , Hamed Mahdavi , Vasant Honavar , Dane Morgan

In recent years, Large Language Models (LLMs) have made significant strides towards Artificial General Intelligence. However, training these models from scratch requires substantial computational resources and vast amounts of text data. In…

Computation and Language · Computer Science 2024-10-03 Wenzhen Zheng , Wenbo Pan , Xu Xu , Libo Qin , Li Yue , Ming Zhou

We investigate whether large language models (LLMs) can predict whether they will succeed on a given task and whether their predictions improve as they progress through multi-step tasks. We also investigate whether LLMs can learn from…

Computation and Language · Computer Science 2026-01-01 Casey O. Barkan , Sid Black , Oliver Sourbut

Molecular dynamics (MD) is a powerful approach for modelling molecular systems, but it remains computationally intensive on spatial and time scales of many macromolecular systems of biological interest. To explore the opportunities offered…

Biomolecules · Quantitative Biology 2025-08-07 Mhd Hussein Murtada , Z. Faidon Brotzakis , Michele Vendruscolo

Large language models (LLMs) have emerged as effective action policies for sequential decision-making (SDM) tasks due to their extensive prior knowledge. However, this broad yet general knowledge is often insufficient for specific…

Machine Learning · Computer Science 2025-10-01 Xue Yan , Zijing Ou , Mengyue Yang , Yan Song , Haifeng Zhang , Yingzhen Li , Jun Wang
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