Stochastic Gradients

Stochastic gradients are gradient estimates computed from random samples, used when dealing with stochastic objectives - objectives that inherently involve randomness.

Examples include:

  • Variational Autoencoders: $\mathbb{E}_{q(z|x)}[\log p(x|z)] - \text{KL}(q(z|x)||p(z))$ - gradients involve sampling $z$ from encoder
  • Policy Gradient: $\mathbb{E}_{\pi}[R(\tau)]$ - gradients require sampling trajectories $\tau$ from policy $\pi$
  • Variational Inference: $\mathbb{E}_{q(z)}[\log p(x,z) - \log q(z)]$ - gradients involve sampling from approximate posterior $q(z)$

In these cases, the gradients are stochastic because the objective function itself contains random variables. Various techniques like Monte-Carlo Estimation, reparameterization tricks, and REINFORCE - Score Function Estimator are used to estimate these gradients.

Challenges

$$ \eta=\nabla_{\varphi} \mathcal{F}(\varphi)=\nabla_{\varphi} \mathbb{E}_{\boldsymbol{x} \sim p_{\varphi}(\boldsymbol{x})}\left[f_{\theta}(\boldsymbol{x})\right] $$
  • $x$ is typically high dimensional
  • The parameters $\varphi$ are often in the order of thousands
  • The cost function is often not differentiable or even unknown
  • That is, the expectation (integral) is often intractable, we must estimate it instead, with MC integration.

Desired properties of MC estimators for gradients

  • Consistency: When sampling more samples the estimator $\hat{y}$ should get closer to the true $y$
  • Unbiasedness: Guarantees convergence of stochastic optimization
  • Low variance
    • Few samples should suffice
    • Less jiggling i.e. gradient updates in consistent direction which results in more efficient learning
  • Computational efficiency: Should be easy to sample and estimate

Stochastic optimization loop

stochastic gradient pipeline

Qualitative comparision between estimators

  • Pathwise gradients have consistently lower variance
    comparision

For complex functions the pathwise gradient might have higher variance
pathwise-comparision

Straight-through gradients

Often, gradients are hard or impossible to compute. For instance, if we have binary stochastic variables $z \sim f(x), z \in\{0,1\}$
If we compute the derivative on the sample we would have $\frac{d z}{d x}=0$
$z$ is a constant value (not a function).

A popular alternative is straight-through gradients

  • We set the gradient is $\frac{d z}{d x}=1$
  • Another alternative is to set the gradient $\frac{d z}{d x}=\frac{d f}{d x}$

However, straight-through gradients introduce bias as our estimated gradient is different from the true gradient.

Variance reduction in deep networks

Control Variates

REBAR (Tucker et al.) - https://arxiv.org/abs/1703.07370

  • Low variance, unbiased gradient estimates for discrete latent variables
  • Inspired by REINFORCE and continuous relaxations
  • Removing the bias from the continuous relaxation

RELAX (Grathwohl et al.) - https://arxiv.org/pdf/1711.00123.pdf

  • Low variance, unbiased gradient estimates for black box functions
  • Applicable to discrete and continuous settings

Low bias low variance gradients

Paper: Pervez, Cohen and Gavves, Low Bias Low Variance Gradient Estimates for Hierarchical Boolean Stochastic Neticorks

Existing methods have troubles with deep Boolean stochastic nets

Successive straight-through in multiple layers fails

  • Efficient but the bias accumulates over multiple layers
  • Optimization quickly gets stuck and learning stops

Using unbiased estimates (REBAR, RELAX) is too inefficient

Expand boolean networks with harmonic analysis (Fourier)

  • Bias and variance is caused by higher order coefficients
  • Manipulates those coefficients to reduce bias and variance

Can train up to 80 layers instead of 2

References

  1. Monte Carlo Gradient Estimation in Machine Learning https://arxiv.org/pdf/1906.10652.pdf (awesome paper)