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Collaboration is the defining mode of modern science, yet its core mechanism -- feedback -- remains hard to observe, difficult to scale, and unequally distributed. Here we test whether large language models (LLMs) can contribute to this…

Physics and Society · Physics 2026-05-26 Binglu Wang , Weixin Liang , Jiahui Xue , Yuhui Zhang , Hancheng Cao , Dashun Wang , Yian Yin

APIs play a pivotal role in modern software development by enabling seamless communication and integration between various systems, applications, and services. Component-based API synthesis is a form of program synthesis that constructs an…

Software Engineering · Computer Science 2025-02-24 Hua Zhong , Shan Jiang , Sarfraz Khurshid

Large Language Models (LLMs) represent a major step toward artificial general intelligence, significantly advancing our ability to interact with technology. While LLMs perform well on Natural Language Processing tasks -- such as…

Computation and Language · Computer Science 2025-05-15 Brandon Smith , Mohamed Reda Bouadjenek , Tahsin Alamgir Kheya , Phillip Dawson , Sunil Aryal

Large language models (LLMs) are introducing a paradigm shift in molecular discovery by enabling text-guided interaction with chemical spaces through natural language, symbolic notations, with emerging extensions to incorporate multi-modal…

Machine Learning · Computer Science 2025-05-23 Ziqing Wang , Kexin Zhang , Zihan Zhao , Yibo Wen , Abhishek Pandey , Han Liu , Kaize Ding

In the emerging field of computational gastronomy, aligning culinary practices with scientifically supported nutritional goals is increasingly important. This study explores how large language models (LLMs) can be applied to optimize…

Computation and Language · Computer Science 2024-09-16 Luis Rita , Josh Southern , Ivan Laponogov , Kyle Higgins , Kirill Veselkov

With the rapid evolution of global autonomous driving technology, the demand for its core sensing hardware, Light Detection and Ranging (LiDAR), is escalating. As the light source part of the LiDAR system, lasers, particularly the…

This research pioneers the use of fine-tuned Large Language Models (LLMs) to automate Systematic Literature Reviews (SLRs), presenting a significant and novel contribution in integrating AI to enhance academic research methodologies. Our…

Computation and Language · Computer Science 2025-02-21 Teo Susnjak , Peter Hwang , Napoleon H. Reyes , Andre L. C. Barczak , Timothy R. McIntosh , Surangika Ranathunga

This paper explores the use of large language models (LLMs) to assist in the development of new disease modules for Synthea, an open-source synthetic health data generator. Incorporating LLMs into the module development process has the…

Artificial Intelligence · Computer Science 2025-07-30 Mark A. Kramer , Aanchal Mathur , Caroline E. Adams , Jason A. Walonoski

Recently, program synthesis driven by large language models (LLMs) has become increasingly popular. However, program synthesis for machine learning (ML) tasks still poses significant challenges. This paper explores a novel form of program…

Software Engineering · Computer Science 2024-09-10 Jinglue Xu , Jialong Li , Zhen Liu , Nagar Anthel Venkatesh Suryanarayanan , Guoyuan Zhou , Jia Guo , Hitoshi Iba , Kenji Tei

In this work we introduce an open-ended question benchmark, ALDbench, to evaluate the performance of large language models (LLMs) in materials synthesis, and in particular in the field of atomic layer deposition, a thin film growth…

This paper presents a study on the integration of domain-specific knowledge in prompt engineering to enhance the performance of large language models (LLMs) in scientific domains. A benchmark dataset is curated to encapsulate the intricate…

Computation and Language · Computer Science 2024-04-24 Hongxuan Liu , Haoyu Yin , Zhiyao Luo , Xiaonan Wang

Identifying reliable synthesis pathways in materials chemistry is a complex task, particularly in polymer science, due to the intricate and often non-unique nomenclature of macromolecules. To address this challenge, we propose an agent…

Artificial Intelligence · Computer Science 2025-04-16 Qinyu Ma , Yuhao Zhou , Jianfeng Li

Language modeling has seen impressive progress over the last years, mainly prompted by the invention of the Transformer architecture, sparking a revolution in many fields of machine learning, with breakthroughs in chemistry and biology. In…

Machine Learning · Computer Science 2023-10-11 Andres M Bran , Philippe Schwaller

Machine learning has transformed material discovery for inorganic compounds and small molecules, yet polymers remain largely inaccessible to these methods. While data scarcity is often cited as the primary bottleneck, we demonstrate that…

Machine Learning · Computer Science 2025-12-09 Jihun Ahn , Gabriella Pasya Irianti , Vikram Thapar , Su-Mi Hur

While large language models (LLMs) have demonstrated remarkable versatility across a wide range of general tasks, their effectiveness often diminishes in domain-specific applications due to inherent knowledge gaps. Moreover, their…

Artificial Intelligence · Computer Science 2025-11-21 Hanzhi Yan , Qin Lu , Xianqiao Wang , Xiaoming Zhai , Tianming Liu , He Li

With the rise of Large Language Models (LLMs) in recent years, abundant new opportunities are emerging, but also new challenges, among which contamination is quickly becoming critical. Business applications and fundraising in Artificial…

Computation and Language · Computer Science 2025-07-11 Mathieu Ravaut , Bosheng Ding , Fangkai Jiao , Hailin Chen , Xingxuan Li , Ruochen Zhao , Chengwei Qin , Caiming Xiong , Shafiq Joty

Quantitative chemistry is central to modern chemical research, yet the ability of large language models (LLMs) to perform its rigorous, step-by-step calculations remains underexplored. To fill this blank, we propose QCBench, a Quantitative…

Artificial Intelligence · Computer Science 2025-11-05 Jiaqing Xie , Weida Wang , Ben Gao , Zhuo Yang , Haiyuan Wan , Shufei Zhang , Tianfan Fu , Yuqiang Li

This survey reviews how large language models (LLMs) are transforming synthetic training data generation in both natural language and code domains. By producing artificial but task-relevant examples, these models can significantly augment…

Computation and Language · Computer Science 2025-11-21 Mihai Nadas , Laura Diosan , Andreea Tomescu

Empathetic dialogue is an indispensable part of building harmonious social relationships and contributes to the development of a helpful AI. Previous approaches are mainly based on fine small-scale language models. With the advent of…

Computation and Language · Computer Science 2024-07-29 Yushan Qian , Wei-Nan Zhang , Ting Liu