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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…

计算与语言 · 计算机科学 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…

人工智能 · 计算机科学 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…

人工智能 · 计算机科学 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…

软件工程 · 计算机科学 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…

光学 · 物理学 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…

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…

人工智能 · 计算机科学 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…

计算与语言 · 计算机科学 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…

计算与语言 · 计算机科学 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…

计算与语言 · 计算机科学 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…

计算与语言 · 计算机科学 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,…

材料科学 · 物理学 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…

信息检索 · 计算机科学 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…

机器学习 · 计算机科学 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,…

软件工程 · 计算机科学 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…

人工智能 · 计算机科学 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…

软凝聚态物质 · 物理学 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.…

流体动力学 · 物理学 2025-12-30 Zhongxin Yang , Yuanwei Bin , Yipeng Shi , Xiang I. A. Yang
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