Langevin dynamics uses stochastic differential equations
Image: Rembrandt, Public domain, via Wikimedia Commons
Langevin dynamics uses stochastic differential equations
Langevin dynamics incorporates randomness into the modeling of molecular systems, which helps simulate the effects of omitted degrees of freedom.
Example
In a simulation, Langevin dynamics can add random forces to the motion of particles, mimicking thermal fluctuations.
Remember this
This approach is crucial for understanding complex molecular behaviors that cannot be captured by deterministic models alone.
Text adapted from Wikipedia, licensed under CC BY-SA 4.0.
Diffusion model
q(x_t|x_{t-1}) adds Gaussian noise at each step
Stable Diffusion
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Markov chain Monte Carlo
MCMC samples from complex posterior distributions
to standardize: when you need zero mean and unit variance for gradient-based optimization
Why do we need to make data uniform before training a model?
AdaGrad does: divides learning rate by sqrt of sum of squared gradients
How do we avoid overshooting in learning?
batch size affects generalization: larger batches find sharper minima
Larger batch sizes lead to sharper minima, enhancing generalization by providing more accurate gradient estimates
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