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Automated unit test generation is critical for software quality but traditional structure-driven methods often lack the semantic understanding required to produce realistic inputs and oracles. Large language models (LLMs) address this…

Software Engineering · Computer Science 2026-01-01 Bei Chu , Yang Feng , Kui Liu , Zhaoqiang Guo , Yichi Zhang , Hange Shi , Zifan Nan , Baowen Xu

Large language models (LLMs) are changing the way researchers interact with code and data in scientific computing. While their ability to generate general-purpose code is well established, their effectiveness in producing scientifically…

Software Engineering · Computer Science 2026-05-25 Ethan Holbrook , Juan C. Verduzco , Alejandro Strachan

Self-Correction aims to enable large language models (LLMs) to self-verify and self-refine their initial responses without external feedback. However, LLMs often fail to effectively self-verify and generate correct feedback, further…

Computation and Language · Computer Science 2025-05-28 Xiaoshuai Song , Yanan Wu , Weixun Wang , Jiaheng Liu , Wenbo Su , Bo Zheng

Goal-oriented de novo molecule design, namely generating molecules with specific property or substructure constraints, is a crucial yet challenging task in drug discovery. Existing methods, such as Bayesian optimization and reinforcement…

Computational Engineering, Finance, and Science · Computer Science 2025-02-28 Chuanliu Fan , Ziqiang Cao , Zicheng Ma , Nan Yu , Yimin Peng , Jun Zhang , Yiqin Gao , Guohong Fu

Document forgery poses a growing threat to legal, economic, and governmental processes, requiring increasingly sophisticated verification mechanisms. One approach involves the use of plausibility checks, rule-based procedures that assess…

Artificial Intelligence · Computer Science 2025-12-23 Valentin Schmidberger , Manuel Eberhardinger , Setareh Maghsudi , Johannes Maucher

While code generation has been widely used in various software development scenarios, the quality of the generated code is not guaranteed. This has been a particular concern in the era of large language models (LLMs)- based code generation,…

Software Engineering · Computer Science 2023-10-11 Zhenlan Ji , Pingchuan Ma , Zongjie Li , Shuai Wang

Large Language Models (LLMs) have demonstrated great promise in generating code, especially when used inside an evolutionary computation framework to iteratively optimize the generated algorithms. However, in some cases they fail to…

Neural and Evolutionary Computing · Computer Science 2025-03-24 Niki van Stein , Anna V. Kononova , Lars Kotthoff , Thomas Bäck

As LLMs make their way into many aspects of our lives, one place that warrants increased scrutiny with LLM usage is scientific research. Using LLMs for generating or analyzing data for research purposes is gaining popularity. But when such…

Human-Computer Interaction · Computer Science 2024-05-13 Chirag Shah

Large Language Models (LLMs) have fundamentally transformed approaches to Natural Language Processing (NLP) tasks across diverse domains. In healthcare, accurate and cost-efficient text classification is crucial, whether for clinical notes…

Computation and Language · Computer Science 2026-02-16 Hajar Sakai , Sarah S. Lam

Large language models (LLMs) are becoming increasingly better at a wide range of Natural Language Processing tasks (NLP), such as text generation and understanding. Recently, these models have extended their capabilities to coding tasks,…

Machine Learning · Computer Science 2024-10-23 Nishat Raihan , Mohammed Latif Siddiq , Joanna C. S. Santos , Marcos Zampieri

With the rapid development of artificial intelligence, large language models (LLMs) have shown promising capabilities in mimicking human-level language comprehension and reasoning. This has sparked significant interest in applying LLMs to…

Computation and Language · Computer Science 2023-11-06 Mingze Yuan , Peng Bao , Jiajia Yuan , Yunhao Shen , Zifan Chen , Yi Xie , Jie Zhao , Yang Chen , Li Zhang , Lin Shen , Bin Dong

Recent advances in Protein Language Models (PLMs) have transformed protein engineering, yet unlike their counterparts in Natural Language Processing (NLP), current PLMs exhibit a fundamental limitation: they excel in either Protein Language…

Computational Engineering, Finance, and Science · Computer Science 2025-09-16 Liuzhenghao Lv , Zongying Lin , Hao Li , Yuyang Liu , Jiaxi Cui , Calvin Yu-Chian Chen , Li Yuan , Yonghong Tian

Code data in large language model (LLM) pretraining is recognized crucial not only for code-related tasks but also for enhancing general intelligence of LLMs. Current open-source LLMs often heavily rely on human effort to produce their code…

In the realm of software development, providing accurate and personalized code explanations is crucial for both technical professionals and business stakeholders. Technical professionals benefit from enhanced understanding and improved…

Software Engineering · Computer Science 2025-01-28 Zexing Xu , Zhuang Luo , Yichuan Li , Kyumin Lee , S. Rasoul Etesami

Large Language Models (LLMs) are revolutionizing bioinformatics, enabling advanced analysis of DNA, RNA, proteins, and single-cell data. This survey provides a systematic review of recent advancements, focusing on genomic sequence modeling,…

Computation and Language · Computer Science 2026-03-03 Zhenyu Wang , Zikang Wang , Jiyue Jiang , Pengan Chen , Xiangyu Shi , Yu Li

Pre-trained LLMs have demonstrated substantial capabilities across a range of conventional natural language processing (NLP) tasks, such as summarization and entity recognition. In this paper, we explore the application of LLMs in the…

Quantitative Methods · Quantitative Biology 2024-08-14 Kamyar Zeinalipour , Neda Jamshidi , Monica Bianchini , Marco Maggini , Marco Gori

As coding challenges become more complex, recent advancements in Large Language Models (LLMs) have led to notable successes, such as achieving a 94.6\% solve rate on the HumanEval benchmark. Concurrently, there is an increasing commercial…

Software Engineering · Computer Science 2023-12-19 Douglas Schonholtz

Developing therapeutics is a lengthy and expensive process that requires the satisfaction of many different criteria, and AI models capable of expediting the process would be invaluable. However, the majority of current AI approaches…

Research scientists increasingly rely on implementing software to support their research. While previous research has examined the impact of identifier names on program comprehension in traditional programming environments, limited work has…

Software Engineering · Computer Science 2025-07-23 Gunnar Larsen , Carol Wong , Anthony Peruma

Ensuring the reproducibility of physics results is one of the crucial challenges in high-energy physics (HEP). In this study, we develop a proof-of-concept system that uses large language models (LLMs) to extract analysis procedures from…

Data Analysis, Statistics and Probability · Physics 2026-04-17 Masahiko Saito , Tomoe Kishimoto , Junichi Tanaka