Monte Carlo gradient estimation

Generic

Could do with a decent intro. TBD.

For unifying overviews see (Mohamed et al. 2020; Schulman et al. 2015; van Krieken, Tomczak, and Teije 2021) and the storchastic docs.

• Machine Learning Trick of the Day (5): Log Derivative Trick
• REINFORCE vs Reparameterization Trick – Syed Ashar Javed

Optimising Monte Carlo

Let us say I need to differentiate through a monte carlo algorithm to alter its parameters while holding the PRNG fixed. See Tuning MC.

Parametric

I can imagine that our observed rv \({\mathsf{x}}\in \mathbb{R}\) is generated via lookups from its iCDF \(F(\cdot;\theta)\) with parameter \(\theta\): \[\mathsf{x} = F^{-1}(\mathsf{u};\theta) \] where \(\mathsf{u}\sim\operatorname{Uniform}(0,1)\). Each realization corresponds to a choice of \(u_i\sim \mathsf{u}\) independently. How can I get the derivative of such a map?

Maybe I generated my original variable not by the icdf method but by simulating some variable \({\mathsf{z}}\sim F(\cdot; \theta).\) In which case I may as well have generated those \(\mathsf{u}_i\) by taking \(\mathsf{u}_i=F(\mathsf{z}_i;\theta)\) for some \(\mathsf{z} \sim F(\cdot;\theta)\) and I am conceptually generating my RV by fixing \(z_i\sim\mathsf{z}_i\) and taking \(\phi := F^{-1}(F(z_i;\theta);\tau).\) So to find the effect of my perturbation what I actually need is

\[\begin{aligned} \left.\frac{\partial}{\partial \tau} F^{-1}(F(z;\theta);\tau)\right|_{\tau=\theta}\\ \end{aligned}\]

Does this do what we want? Kinda. So suppose that the parameters in question are something boring, such as the location parameter of a location-scale distribution, i.e. \(F(\cdot;\theta)=F(\cdot-\theta;0).\) Then \(F^{-1}(\cdot;\theta)=F^{-1}(\cdot;0)+\theta\) and thus

\[\begin{aligned} \left.\frac{\partial}{\partial \tau} F^{-1}(F(z;\theta);\tau)\right|_{\tau=\theta} &=\left.\frac{\partial}{\partial \tau} F^{-1}(F(z-\theta;0);0)+\tau\right|_{\tau=\theta}\\ &=\left.\frac{\partial}{\partial \tau}\left(z-\theta+\tau\right)\right|_{\tau=\theta}\\ &=1\\ \end{aligned}\]

OK grand that came out simple enough.

TBC

Tooling

van Krieken, Tomczak, and Teije (2021) claims to supply us with a large library of pytorch tools for this purpose, under the rubric Storchastic. (Source.). See also Deepmind’s mc_gradients.

References