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关于机器学习方法在自下而上的粗粒加工中出现的情况

Patrick G Sahrmann1, Gregory A Voth1

  • 1Department of Chemistry, Chicago Center for Theoretical Chemistry, James Franck Institute, and Institute for Biophysical Dynamics, The University of Chicago, Chicago, IL 60637, USA.

Current opinion in structural biology
|January 3, 2025
PubMed
概括

机器学习正在通过创建粗粒度力场来推进分子建模. 本综述探讨了使用这些人工智能方法在化学和生物系统中的潜力和障碍.

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

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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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