update supervised chapter

This commit is contained in:
NT
2021-05-16 11:29:51 +08:00
parent 05d2783759
commit cd3de70540
4 changed files with 885 additions and 998 deletions

View File

@@ -2,41 +2,43 @@ Supervised Training
=======================
_Supervised_ here essentially means: "doing things the old fashioned way". Old fashioned in the context of
deep learning (DL), of course, so it's still fairly new. Also, "old fashioned" doesn't
always mean bad - it's just that later on we'll be able to do better than with a simple supervised training.
deep learning (DL), of course, so it's still fairly new.
Also, "old fashioned" doesn't always mean bad - it's just that later on we'll discuss ways to train networks that clearly outperform approaches using supervised training.
In a way, the viewpoint of "supervised training" is a starting point for all projects one would encounter in the context of DL, and
hence is worth studying. While it typically yields inferior results to approaches that more tightly
couple with physics, it nonetheless can be the only choice in certain application scenarios where no good
Nonetheless, "supervised training" is a starting point for all projects one would encounter in the context of DL, and
hence it is worth studying. Also, while it typically yields inferior results to approaches that more tightly
couple with physics, it can be the only choice in certain application scenarios where no good
model equations exist.
## Problem setting
For supervised training, we're faced with an
unknown function $f^*(x)=y^*$, collect lots of pairs of data $[x_0,y^*_0], ...[x_n,y^*_n]$ (the training data set)
and directly train a NN to represent an approximation of $f^*$ denoted as $f$, such
that $f(x)=y \approx y^*$.
and directly train a NN to represent an approximation of $f^*$ denoted as $f$.
The $f$ we can obtain is typically not exact,
The $f$ we can obtain in this way is typically not exact,
but instead we obtain it via a minimization problem:
by adjusting weights $\theta$ of our representation with $f$ such that
by adjusting the weights $\theta$ of our NN representation of $f$ such that
$\text{arg min}_{\theta} \sum_i (f(x_i ; \theta)-y^*_i)^2$.
$$
\text{arg min}_{\theta} \sum_i (f(x_i ; \theta)-y^*_i)^2 .
$$ (supervised-training)
This will give us $\theta$ such that $f(x;\theta) \approx y$ as accurately as possible given
This will give us $\theta$ such that $f(x;\theta) = y \approx y$ as accurately as possible given
our choice of $f$ and the hyperparameters for training. Note that above we've assumed
the simplest case of an $L^2$ loss. A more general version would use an error metric $e(x,y)$
to be minimized via $\text{arg min}_{\theta} \sum_i e( f(x_i ; \theta) , y^*_i) )$. The choice
of a suitable metric is topic we will get back to later on.
of a suitable metric is a topic we will get back to later on.
Irrespective of our choice of metric, this formulation
gives the actual "learning" process for a supervised approach.
The training data typically needs to be of substantial size, and hence it is attractive
to use numerical simulations to produce a large number of training input-output pairs.
to use numerical simulations solving a physical model $\mathcal{P}$
to produce a large number of reliable input-output pairs for training.
This means that the training process uses a set of model equations, and approximates
them numerically, in order to train the NN representation $\tilde{f}$. This
has a bunch of advantages, e.g., we don't have measurement noise of real-world devices
has quite a few advantages, e.g., we don't have measurement noise of real-world devices
and we don't need manual labour to annotate a large number of samples to get training data.
On the other hand, this approach inherits the common challenges of replacing experiments
@@ -44,7 +46,7 @@ with simulations: first, we need to ensure the chosen model has enough power to
behavior of real-world phenomena that we're interested in.
In addition, the numerical approximations have numerical errors
which need to be kept small enough for a chosen application. As these topics are studied in depth
for classical simulations, the existing knowledge can likewise be leveraged to
for classical simulations, and the existing knowledge can likewise be leveraged to
set up DL training tasks.
```{figure} resources/supervised-training.jpg
@@ -56,8 +58,24 @@ A visual overview of supervised training. Quite simple overall, but it's good to
in mind in comparison to the more complex variants we'll encounter later on.
```
## Surrogate models
One of the central advantages of the supervised approach above is that
we obtain a _surrogate_ for the model $\mathcal{P}$. The numerical approximations
of PDE models for real world phenomena are often very expensive to compute. A trained
NN on the other hand incurs a constant cost per evaluation, and is typically trivial
to evaluate on specialized hardware such as GPUs or NN units.
Despite this, it's important to be careful:
NNs can quickly generate huge numbers of inbetween results. Consider a CNN layer with
$128$ features. If we apply it to an input of $128^2$, i.e. ca. 16k cells, we get $128^3$ intermediate values.
That's more than 2 million.
All these values at least need to be momentarily stored in memory, and processed by the next layer.
Nonetheless, replacing complex and expensive solvers with fast, learned approximations
is a very attractive and interesting direction.
## Show me some code!
Let's directly look at an implementation within a more complicated context:
_turbulent flows around airfoils_ from {cite}`thuerey2020deepFlowPred`.
Let's directly look at an example for this: we'll replace a full solver for
_turbulent flows around airfoils_ with a surrogate model (from {cite}`thuerey2020dfp`).