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Background: The rise of Large Language Models (LLMs) in software development has opened new possibilities for code generation. Despite the widespread use of this technology, it remains unclear how well LLMs generate code solutions in terms…

Software Engineering · Computer Science 2025-08-04 Alfred Santa Molison , Marcia Moraes , Glaucia Melo , Fabio Santos , Wesley K. G. Assuncao

Recently, large language models (LLMs) have shown significant progress, approaching human perception levels. In this work, we demonstrate that despite these advances, LLMs still struggle to reason using molecular structural information.…

Machine Learning · Computer Science 2025-05-26 Yunhui Jang , Jaehyung Kim , Sungsoo Ahn

The effective utilization of structured data, integral to corporate data strategies, has been challenged by the rise of large language models (LLMs) capable of processing unstructured information. This shift prompts the question: can LLMs…

Computation and Language · Computer Science 2024-10-22 Zhouhong Gu , Haoning Ye , Xingzhou Chen , Zeyang Zhou , Hongwei Feng , Yanghua Xiao

Open Source Software (OSS) has become a very important and crucial infrastructure worldwide because of the value it provides. OSS typically depends on contributions from developers across diverse backgrounds and levels of experience. Making…

Software Engineering · Computer Science 2025-10-08 Elijah Kayode Adejumo , Brittany Johnson

LLMs have demonstrated commendable performance across diverse domains. Nevertheless, formulating high-quality prompts to instruct LLMs proficiently poses a challenge for non-AI experts. Existing research in prompt engineering suggests…

Generating long, coherent text remains a challenge for large language models (LLMs), as they lack hierarchical planning and structured organization in discourse generation. We introduce Structural Alignment, a novel method that aligns LLMs…

Computation and Language · Computer Science 2026-02-04 Zae Myung Kim , Anand Ramachandran , Farideh Tavazoee , Joo-Kyung Kim , Oleg Rokhlenko , Dongyeop Kang

Although the synthesis of programs encoding policies often carries the promise of interpretability, systematic evaluations were never performed to assess the interpretability of these policies, likely because of the complexity of such an…

Artificial Intelligence · Computer Science 2024-01-23 Zahra Bashir , Michael Bowling , Levi H. S. Lelis

The pursuit of leaderboard rankings in Large Language Models (LLMs) has created a fundamental paradox: models excel at standardized tests while failing to demonstrate genuine language understanding and adaptability. Our systematic analysis…

Computation and Language · Computer Science 2024-12-06 Sourav Banerjee , Ayushi Agarwal , Eishkaran Singh

Rule-based reasoning over natural language input arises in domains where decisions must be auditable and justifiable: clinical protocols specify eligibility criteria in prose, evidence rules define admissibility through textual conditions,…

Artificial Intelligence · Computer Science 2026-01-06 Albert Sadowski , Jarosław A. Chudziak

Building a theoretical understanding of the capabilities of large language models (LLMs) is vital for our ability to predict and explain the behavior of these systems. Here, we investigate the structure of LLM capabilities by extracting…

Computation and Language · Computer Science 2023-06-21 Ryan Burnell , Han Hao , Andrew R. A. Conway , Jose Hernandez Orallo

Code analysis is fundamental in Software Engineering, supporting debugging, optimization, and security assessment. Human developers approach it through syntax parsing, static semantics inference, and dynamic reasoning. Traditional tools are…

Software Engineering · Computer Science 2026-05-22 Wei Ma , Zhihao Lin , Shangqing Liu , Qiang Hu , Ye Liu , Wenhan Wang , Cen Zhang , Liming Nie , Li Li , Yang Liu , Lingxiao Jiang

Large Language Models (LLMs) are increasingly being used to automate programming tasks. Yet, LLMs' capabilities in reasoning about program semantics are still inadequately studied, leaving significant potential for further exploration. This…

Programming Languages · Computer Science 2025-05-30 Thanh Le-Cong , Bach Le , Toby Murray

This paper introduces Code-Vision, a benchmark designed to evaluate the logical understanding and code generation capabilities of Multimodal Large Language Models (MLLMs). It challenges MLLMs to generate a correct program that fulfills…

Computation and Language · Computer Science 2025-02-18 Hanbin Wang , Xiaoxuan Zhou , Zhipeng Xu , Keyuan Cheng , Yuxin Zuo , Kai Tian , Jingwei Song , Junting Lu , Wenhui Hu , Xueyang Liu

Code LLMs have become extremely popular recently for modeling source code across a variety of tasks, such as generation, translation, and summarization. However, transformer-based models are limited in their capabilities to reason through…

In the digital age, ensuring the correctness, safety, and reliability of software through formal verification is paramount, particularly as software increasingly underpins critical infrastructure. Formal verification, split into theorem…

Software Engineering · Computer Science 2026-04-03 Zhiyong Chen , Jialun Cao , Jiarong Wu , Chang Xu , Shing-Chi Cheung

The integration of large language models into software systems is transforming capabilities such as natural language understanding, decision-making, and autonomous task execution. However, the absence of a commonly accepted software…

Software Engineering · Computer Science 2025-01-23 Alessio Bucaioni , Martin Weyssow , Junda He , Yunbo Lyu , David Lo

Large Language Models (LLMs) have demonstrated impressive performance in code generation tasks under idealized conditions, where task descriptions are clear and precise. However, in practice, task descriptions frequently exhibit ambiguity,…

Software Engineering · Computer Science 2025-07-29 Maya Larbi , Amal Akli , Mike Papadakis , Rihab Bouyousfi , Maxime Cordy , Federica Sarro , Yves Le Traon

While code review is central to the software development process, it can be tedious and expensive to carry out. In this paper, we investigate whether and how Large Language Models (LLMs) can aid with code reviews. Our investigation focuses…

Software Engineering · Computer Science 2024-03-14 Rasmus Ingemann Tuffveson Jensen , Vali Tawosi , Salwa Alamir

Large language models (LLMs) have shown remarkable capabilities across diverse coding tasks. However, their adoption requires a true understanding of program execution rather than relying on surface-level patterns. Existing benchmarks…

Machine Learning · Computer Science 2026-04-24 Eshgin Hasanov , Md Mahadi Hassan Sibat , Santu Karmaker , Aashish Yadavally

Large Language Models (LLMs) have emerged as coding assistants, capable of generating source code from natural language prompts. With the increasing adoption of LLMs in software development, academic research and industry based projects are…