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Crafting effective features is a crucial yet labor-intensive and domain-specific task within machine learning pipelines. Fortunately, recent advancements in Large Language Models (LLMs) have shown promise in automating various data science…

Computation and Language · Computer Science 2024-10-18 Yanlin Zhang , Ning Li , Quan Gan , Weinan Zhang , David Wipf , Minjie Wang

Large Language Models (LLMs), typified by OpenAI's GPT, have marked a significant advancement in artificial intelligence. Trained on vast amounts of text data, LLMs are capable of understanding and generating human-like text across a…

Artificial Intelligence · Computer Science 2024-10-29 Haochen Zhang , Yuyang Dong , Chuan Xiao , Masafumi Oyamada

Predicting the mechanical properties of polysulfone (PSF) membranes from structural descriptors remains challenging due to extreme data scarcity typical of experimental studies. To investigate this issue, this study benchmarked…

Artificial Intelligence · Computer Science 2026-03-17 Dingding Cao , Mieow Kee Chan , Wan Sieng Yeo , Said Bey , Alberto Figoli

Automated unit test generation has been widely studied, with Large Language Models (LLMs) recently showing significant potential. Moreover, in the context of unit test generation, these tools prioritize high code coverage, often at the…

Software Engineering · Computer Science 2024-10-18 Zhe Zhang , Xingyu Liu , Yuanzhang Lin , Xiang Gao , Hailong Sun , Yuan Yuan

Large language models (LLMs) such as ChatGPT, Gemini, LlaMa, and Claude are trained on massive quantities of text parsed from the internet and have shown a remarkable ability to respond to complex prompts in a manner often indistinguishable…

Optics · Physics 2025-04-01 Darui Lu , Yang Deng , Jordan M. Malof , Willie J. Padilla

The limited extrapolative power of structure-based machine learning (ML) models is a critical bottleneck in chemical discovery, particularly for industrial R&D, where navigating uncharted chemical space to find next-generation materials or…

This study investigates the automation of meta-analysis in scientific documents using large language models (LLMs). Meta-analysis is a robust statistical method that synthesizes the findings of multiple studies support articles to provide a…

Computation and Language · Computer Science 2024-11-19 Jawad Ibn Ahad , Rafeed Mohammad Sultan , Abraham Kaikobad , Fuad Rahman , Mohammad Ruhul Amin , Nabeel Mohammed , Shafin Rahman

Droplet-based microfluidic devices have substantial promise as cost-effective alternatives to current assessment tools in biological research. Moreover, machine learning models that leverage tabular data, including input design parameters…

Artificial Intelligence · Computer Science 2024-11-12 Dinh-Nguyen Nguyen , Raymond Kai-Yu Tong , Ngoc-Duy Dinh

Large language models (LLMs) have exhibited remarkable capabilities across diverse open-domain tasks, yet their application in specialized domains such as civil engineering remains largely unexplored. This paper starts bridging this gap by…

Computation and Language · Computer Science 2025-07-08 Jiachen Liu , Ziheng Geng , Ran Cao , Lu Cheng , Paolo Bocchini , Minghui Cheng

Large language models (LLMs) have created new opportunities to enhance the efficiency of scholarly activities; however, challenges persist in the ethical deployment of AI assistance, including (1) the trustworthiness of AI-generated…

Computation and Language · Computer Science 2026-02-27 Mengze Hong , Di Jiang , Chen Jason Zhang , Zichang Guo , Yawen Li , Jun Chen , Shaobo Cui , Zhiyang Su

Automating data extraction from full-text randomised controlled trials (RCTs) for meta-analysis remains a significant challenge. This study evaluates the practical performance of three LLMs (Gemini-2.0-flash, Grok-3, GPT-4o-mini) across…

Computation and Language · Computer Science 2025-07-22 Lingbo Li , Anuradha Mathrani , Teo Susnjak

Our work demonstrates that large language model (LLM) pre-trained on texts can not only solve pure math word problems, but also physics word problems, whose solution requires calculation and inference based on prior physical knowledge. We…

Computation and Language · Computer Science 2023-09-21 Jingzhe Ding , Yan Cen , Xinyuan Wei

This study presents a curated thermoelectric material database, teMatDb, constructed by digitizing literature-reported data. It includes temperature-dependent thermoelectric properties (TEPs), Seebeck coefficient, electrical resistivity,…

Materials Science · Physics 2025-07-28 Byungki Ryu , Ji Hui Son , Sungjin Park , Jaywan Chung , Hye-Jin Lim , SuJi Park , Yujeong Do , SuDong Park

Definitions are the foundation for any scientific work, but with a significant increase in publication numbers, gathering definitions relevant to any keyword has become challenging. We therefore introduce SciDef, an LLM-based pipeline for…

Information Retrieval · Computer Science 2026-02-06 Filip Kučera , Christoph Mandl , Isao Echizen , Radu Timofte , Timo Spinde

Large language models (LLMs) have recently demonstrated promising capabilities in chemistry tasks while still facing challenges due to outdated pretraining knowledge and the difficulty of incorporating specialized chemical expertise. To…

Machine Learning · Computer Science 2025-06-13 Mengsong Wu , YaFei Wang , Yidong Ming , Yuqi An , Yuwei Wan , Wenliang Chen , Binbin Lin , Yuqiang Li , Tong Xie , Dongzhan Zhou

Rapid advancements in large language models (LLMs) have the potential to assist in scientific progress. A critical capability toward this endeavor is the ability to reproduce existing work. To evaluate the ability of AI agents to reproduce…

Architectural tactics (ATs), as the concrete implementation of architectural decisions in code, address non-functional requirements of software systems. Due to the implicit nature of architectural knowledge in code implementation,…

Software Engineering · Computer Science 2025-03-06 Lingli Cao , He Zhang , Shanshan Li , Danyang Li , Yanjing Yang , Chenxing Zhong , Xin Zhou , Yue Xie

The transition from monolithic large language models (LLMs) to modular, skill-equipped agents represents a fundamental architectural shift in artificial intelligence deployment. While general-purpose models demonstrate remarkable breadth in…

Artificial Intelligence · Computer Science 2026-03-18 Shuzhen Bi , Mengsong Wu , Hao Hao , Keqian Li , Wentao Liu , Siyu Song , Hongbo Zhao , Aimin Zhou

We present an integrated multiagent AI ecosystem for polymer discovery that unifies high-throughput materials workflows, artificial intelligence, and computational modeling within a single Polymer Research Lifecycle (PRL) pipeline. The…

Soft Condensed Matter · Physics 2026-02-03 Mahule Roy , Adib Bazgir , Arthur da Silva Sousa Santos , Yuwen Zhang

Artificial intelligence (AI) has achieved human-level performance in specialized tasks such as Go, image recognition, and protein folding, raising the prospect of an AI singularity-where machines not only match but surpass human reasoning.…

Fluid Dynamics · Physics 2025-12-30 Zhongxin Yang , Yuanwei Bin , Yipeng Shi , Xiang I. A. Yang
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