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From Corpus to Innovation:Advancing Organic Solar Cell Design with Large Language Models
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作者 Harikrishna Sahu Akhlak Mahmood +1 位作者 Labeeba B.Shafique Rampi Ramprasad 《npj Computational Materials》 2025年第1期4234-4242,共9页
Advances in machine learning have transformed materials discovery,yet challenges remain due to the lack of informatics-ready data and the complexity of numerical descriptors.Scientific knowledge is scattered across pu... Advances in machine learning have transformed materials discovery,yet challenges remain due to the lack of informatics-ready data and the complexity of numerical descriptors.Scientific knowledge is scattered across publications,making comprehensive data extraction difficult.This study presents a large language model(LLM)-driven framework to accelerate organic solar cell(OSC)materials discovery by extracting structured data from literature and predicting device performance using natural language embeddings.Trained on a curated dataset of 422 OSC devices,the fine-tuned LLM demonstrated strong predictive accuracy across key performance metrics:power conversion efficiency(PCE,R^(2):0.87),short-circuit current(JSC,R^(2):0.82),open-circuit voltage(VOC,R^(2):0.89),and fill factor(FF,R^(2):0.59).The models are then used to explore the space of 1.4 million combinations of materials,experimental variables and device architectures.The analysis provides data-driven design guidelines,identifying optimal donor-acceptor combinations and processing conditions that consistently yield higher device performance. 展开更多
关键词 natural language embeddingstra organic solar cells materials discovery large language model llm driven numerical descriptorsscientific large language models machine learning predicting device performance
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Evolution of Malicious Social Bot Detection:From Individual Profiling to Group Analysis and Beyond
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作者 Yina Liu Shuai Xu +1 位作者 Yicong Li Shuo Yu 《Journal of Social Computing》 2025年第3期258-284,共27页
The rise of online social platforms has enhanced connectivity and access to information.Still,it has also enabled the proliferation of malicious social bots that threaten platform security and disrupt social order.In ... The rise of online social platforms has enhanced connectivity and access to information.Still,it has also enabled the proliferation of malicious social bots that threaten platform security and disrupt social order.In this paper,we introduce a unified framework for defining and classifying malicious social bots along three dimensions:behavior,interaction,and operation.We then present a comprehensive review of social bot detection methods,tracing their evolution from traditional machine learning techniques to deep learning architectures and graph neural networks,with particular emphasis on recent advances in group-level detection.We also explore the emerging paradigm of Large Language Model(LLM)based bot detection.This paper reviews the current state of research,identifies key challenges,and outlines future directions.It provides a cohesive foundation for building more robust detection frameworks to counter the evolving threats posed by malicious social bots. 展开更多
关键词 malicious social bots bot detection social network Large language Model(LLM)driven bots
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