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New discoveries in chemistry and materials science, with increasingly expanding volume of requisite knowledge and experimental workload, provide unique opportunities for machine learning (ML) to take critical roles in accelerating research…

Large Language Models (LLMs) are playing an increasingly important role in physics research by assisting with symbolic manipulation, numerical computation, and scientific reasoning. However, ensuring the reliability, transparency, and…

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Machine learning (ML) has emerged into formidable force for identifying hidden but pertinent patterns within a given data set with the objective of subsequent generation of automated predictive behavior. In the recent years, it is safe to…

Large language models (LLMs) have demonstrated rapid progress across a wide array of domains. Owing to the very large number of parameters and training data in LLMs, these models inherently encompass an expansive and comprehensive materials…

Materials Science · Physics 2024-11-20 Siyu Liu , Tongqi Wen , A. S. L. Subrahmanyam Pattamatta , David J. Srolovitz

Large Language Models (LLMs) have emerged as powerful tools in various research domains. This article examines their potential through a literature review and firsthand experimentation. While LLMs offer benefits like cost-effectiveness and…

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The convergence of artificial intelligence and materials science presents a transformative opportunity, but achieving true acceleration in discovery requires moving beyond task-isolated, fine-tuned models toward agentic systems that plan,…

AI and generative AI tools, including chatbots like ChatGPT that rely on large language models (LLMs), have burst onto the scene this year, creating incredible opportunities to increase work productivity and improve our lives. Statisticians…

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Herein we review aspects of leading-edge research and innovation in chemistry which exploits big data and machine learning (ML), two computer science fields that combine to yield machine intelligence. ML can accelerate the solution of…

As scientific research becomes increasingly complex, innovative tools are needed to manage vast data, facilitate interdisciplinary collaboration, and accelerate discovery. Large language models (LLMs) are now evolving into LLM-based…

Artificial Intelligence · Computer Science 2026-02-03 Shuo Ren , Can Xie , Pu Jian , Zhenjiang Ren , Chunlin Leng , Jiajun Zhang

Large language models (LLMs) are powerful artificial intelligence (AI) tools transforming how research is conducted. However, their use in research has been met with skepticism, due to concerns about hallucinations, biases and potential…

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The emergence of Generative Artificial Intelligence (AI) and Large Language Models (LLMs) has marked a new era of Natural Language Processing (NLP), introducing unprecedented capabilities that are revolutionizing various domains. This paper…

Computation and Language · Computer Science 2024-08-26 Desta Haileselassie Hagos , Rick Battle , Danda B. Rawat

Exploring the capabilities of Large Language Models (LLMs) in puzzle solving unveils critical insights into their potential and challenges in AI, marking a significant step towards understanding their applicability in complex reasoning…

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Integration of artificial intelligence (AI) into life cycle assessment (LCA) has accelerated in recent years, with numerous studies successfully adapting machine learning algorithms to support various stages of LCA. Despite this rapid…

Artificial Intelligence · Computer Science 2026-02-27 Anastasija Mensikova , Donna M. Rizzo , Kathryn Hinkelman

Large Language Models (LLMs) have revolutionized the domain of natural language processing (NLP) with remarkable capabilities of generating human-like text responses. However, despite these advancements, several works in the existing…

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Large Language Models (LLMs) are being increasingly employed in data science for tasks like data preprocessing and analytics. However, data scientists encounter substantial obstacles when conversing with LLM-powered chatbots and acting on…

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The integration of Agentic AI into scientific discovery marks a new frontier in research automation. These AI systems, capable of reasoning, planning, and autonomous decision-making, are transforming how scientists perform literature…

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Cutting-edge Artificial Intelligence (AI) techniques keep reshaping our view of the world. For example, Large Language Models (LLMs) based applications such as ChatGPT have shown the capability of generating human-like conversation on…

The rapid development of Artificial Intelligence (AI) has revolutionized numerous fields, with large language models (LLMs) and computer vision (CV) systems driving advancements in natural language understanding and visual processing,…

Computation and Language · Computer Science 2024-12-04 Yunkai Dang , Kaichen Huang , Jiahao Huo , Yibo Yan , Sirui Huang , Dongrui Liu , Mengxi Gao , Jie Zhang , Chen Qian , Kun Wang , Yong Liu , Jing Shao , Hui Xiong , Xuming Hu

Enzyme mining is rapidly evolving as a data-driven strategy to identify biocatalysts with tailored functions from the vast landscape of uncharacterized proteins. The integration of machine learning into these workflows enables…

Biomolecules · Quantitative Biology 2025-07-11 Yanzi Zhang , Felix Moorhoff , Sizhe Qiu , Wenjuan Dong , David Medina-Ortiz , Jing Zhao , Mehdi D. Davari

Recent advances in machine learning and AI, including Generative AI and LLMs, are disrupting technological innovation, product development, and society as a whole. AI's contribution to technology can come from multiple approaches that…

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