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Updated: Jun 5, 2025

Augmenting Large Language Models via Vector Embeddings to Improve Domain-Specific Responsiveness
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Published on: December 6, 2024

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晶体结构生成与自回归的大型语言建模

Luis M Antunes1, Keith T Butler2, Ricardo Grau-Crespo3

  • 1Department of Chemistry, University of Reading, Whiteknights, Reading, UK. l.m.antunes@pgr.reading.ac.uk.

Nature communications
|December 6, 2024
PubMed
概括

CrystaLLM使用大语言建模 (LLM) 来从文本中生成晶体结构,加速材料发现. 这种方法有效地创造了可信的结构,克服了材料科学研究中的计算瓶.

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Mechanistic Models: Compartment Models in Algorithms for Numerical Problem Solving01:29

Mechanistic Models: Compartment Models in Algorithms for Numerical Problem Solving

Mechanistic models play a crucial role in algorithms for numerical problem-solving, particularly in nonlinear mixed effects modeling (NMEM). These models aim to minimize specific objective functions by evaluating various parameter estimates, leading to the development of systematic algorithms. In some cases, linearization techniques approximate the model using linear equations.
In individual population analyses, different algorithms are employed, such as Cauchy's method, which uses a...
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