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Large language models (LLMs) have achieved strong performance on reasoning benchmarks, yet their ability to solve real-world problems requiring end-to-end workflows remains unclear. Mathematical modeling competitions provide a stringent…

Computation and Language · Computer Science 2026-04-07 Yuhang Liu , Heyan Huang , Yizhe Yang , Hongyan Zhao , Zhizhuo Zeng , Yang Gao

Machine learning practitioners often face significant challenges in formally integrating their prior knowledge and beliefs into predictive models, limiting the potential for nuanced and context-aware analyses. Moreover, the expertise needed…

Machine Learning · Statistics 2024-12-23 James Requeima , John Bronskill , Dami Choi , Richard E. Turner , David Duvenaud

This is the first work to look at the application of large language models (LLMs) for the purpose of model space edits in automated planning tasks. To set the stage for this union, we explore two different flavors of model space problems…

Artificial Intelligence · Computer Science 2024-03-06 Turgay Caglar , Sirine Belhaj , Tathagata Chakraborti , Michael Katz , Sarath Sreedharan

Large Language Models (LLMs) still struggle with complex logical reasoning. While previous works achieve remarkable improvements, their performance is highly dependent on the correctness of translating natural language (NL) problems into a…

Artificial Intelligence · Computer Science 2025-10-14 Xiangyu Wang , Haocheng Yang , Fengxiang Cheng , Fenrong Liu

Recent work has explored the use of large language models (LLMs) to generate tutoring responses in mathematics, yet it remains unclear how closely their instructional behavior aligns with expert human practice. We analyze a dataset of math…

Computation and Language · Computer Science 2026-05-28 Ramatu Oiza Abdulsalam , Segun Aroyehun

Business optimisation has been used extensively to determine optimal solutions for challenging business operations. Problem formulation is an important part of business optimisation as it influences both the validity of solutions and the…

Artificial Intelligence · Computer Science 2025-04-23 Pivithuru Thejan Amarasinghe , Su Nguyen , Yuan Sun , Damminda Alahakoon

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

Large language models are increasingly applied to materials science, yet fundamental questions remain about their reliability and knowledge encoding. Evaluating 25 LLMs across four materials science tasks -- over 200 base and fine-tuned…

Materials Science · Physics 2026-03-03 Vineeth Venugopal , Soroush Mahjoubi , Elsa Olivetti

The integration of experiment technologies with large language models (LLMs) is transforming scientific research, offering AI capabilities beyond specialized problem-solving to becoming research assistants for human scientists. In power…

Systems and Control · Electrical Eng. & Systems 2024-11-21 Mengshuo Jia , Zeyu Cui , Gabriela Hug

Generative large language models (LLMs) have demonstrated exceptional proficiency in various natural language processing (NLP) tasks, including machine translation, question answering, text summarization, and natural language understanding.…

Computation and Language · Computer Science 2024-01-17 Nooshin Pourkamali , Shler Ebrahim Sharifi

Aligning large language models (LLMs) with human objectives is crucial for real-world applications. However, fine-tuning LLMs for alignment often suffers from unstable training and requires substantial computing resources. Test-time…

Artificial Intelligence · Computer Science 2024-11-05 Lingkai Kong , Haorui Wang , Wenhao Mu , Yuanqi Du , Yuchen Zhuang , Yifei Zhou , Yue Song , Rongzhi Zhang , Kai Wang , Chao Zhang

Autonomous cyber-physical systems like robots and self-driving cars could greatly benefit from using formal methods to reason reliably about their control decisions. However, before a problem can be solved it needs to be stated. This…

Logic in Computer Science · Computer Science 2025-10-08 Aditi Kabra , Jonathan Laurent , Sagar Bharadwaj , Ruben Martins , Stefan Mitsch , André Platzer

Although demonstrating remarkable performance on reasoning tasks, Large Language Models (LLMs) still tend to fabricate unreliable responses when confronted with problems that are unsolvable or beyond their capability, severely undermining…

Computation and Language · Computer Science 2025-11-13 Boyang Xue , Qi Zhu , Rui Wang , Sheng Wang , Hongru Wang , Minda Hu , Fei Mi , Yasheng Wang , Lifeng Shang , Qun Liu , Kam-Fai Wong

Large Language Models (LLMs) show strong capabilities in code generation, motivating their use in automated quantum solver development. However, in quantum computing, successful execution of generated code is not sufficient: correctness…

Software Engineering · Computer Science 2026-05-12 Luciano Baresi , Domenico Bianculli , Maryse Ernzer , Livia Lestingi , Fabrizio Pastore , Seung Yeob Shin

Evaluation of large language model (LLM) outputs requires users to make critical judgments about the best outputs across various configurations. This process is costly and takes time given the large amounts of data. LLMs are increasingly…

Using large language models (LLMs) for source code has recently gained attention. LLMs, such as Transformer-based models like Codex and ChatGPT, have been shown to be highly capable of solving a wide range of programming problems. However,…

Computation and Language · Computer Science 2023-06-27 Atsushi Shirafuji , Yutaka Watanobe , Takumi Ito , Makoto Morishita , Yuki Nakamura , Yusuke Oda , Jun Suzuki

We investigate the predictability of large language model (LLM) capabilities: given records of past experiments using different model families, numbers of parameters, tasks, and numbers of in-context examples, can we accurately predict LLM…

Computation and Language · Computer Science 2023-11-01 Qinyuan Ye , Harvey Yiyun Fu , Xiang Ren , Robin Jia

In this paper, we explore the capabilities of state-of-the-art large language models (LLMs) such as GPT-4, GPT-4o, Claude 3.5 Sonnet, Claude 3 Opus, Gemini 1.5 Pro, Llama 3, and Llama 3.1 in solving some selected undergraduate-level…

Artificial Intelligence · Computer Science 2024-08-16 Usman Syed , Ethan Light , Xingang Guo , Huan Zhang , Lianhui Qin , Yanfeng Ouyang , Bin Hu

Large Language Models (LLM) exhibit zero-shot mathematical reasoning capacity as a behavior emergent with scale, commonly manifesting as chain-of-thoughts (CoT) reasoning. However, multiple empirical findings suggest that this prowess is…

Artificial Intelligence · Computer Science 2023-12-20 Subhabrata Dutta , Joykirat Singh , Ishan Pandey , Sunny Manchanda , Soumen Chakrabarti , Tanmoy Chakraborty

Performance of Large Language Models (LLMs) on multiple-choice tasks differs markedly between symbol-based and cloze-style evaluation formats. The observed discrepancies are systematically attributable to task characteristics: natural…

Computation and Language · Computer Science 2026-02-02 Joonhak Lee , Sungmok Jung , Jongyeon Park , Jaejin Lee