Empirical validation of null-rejection methods
tldr:
- in null-rejection testing, the empirical rate is typically different than the nominal rate (due to approximations), but it only matters if it is meaningfully different.
- if you think the rate is $5%$ but it's actually $4.9%$, that difference doesn't matter. If it's $10%$, that's very different.
- running experiments on artificial data are a good way to check how the empirical rate behaves.
1. The setup
Let's consider the following situation. We are doing some science 🧪, and, in our experiment, we want to compare two classes. We have:
- a null hypothesis $H_0$: the two classes are identical
- the alternative $H_1$: the two classes are different
- Note, even in the simplest case $H_1$ is an ensemble! In complex examples, $H_0$ is also an ensemble.
- a number of possibles tests. These are methods which label an input dataset as having a significant difference $S_1$ or unsignificant difference $S_0$
For example, we might want to see whether two groups of values have the same distribution (null hypothesis) or not. To do so, we might test whether they have the same empirical mean or empirical median or empirical variance, etc.
We want to validate the general worth of these various tests for a particular problem.
2. The measures
In a frequentist framework, we have two canonical measures associated to this problem.
- the false positive rate (FPR): for a given null model (ie, a given element of $H_0$), the rate at which the algorithm produces a $S_1$ result.
- the false negative rate (FNR): for a given non-null model (ie, a given element of $H_1$), the rate at which the algorithm produces a $S_0$ result.
Typically, the FPR is exactly the same throughout $H_0$, but that is not necessary. Technically, the usual guarantee is that the false positive rate is, at most, some $\alpha$ close to 0 (typically 0.05 or 0.01 or 0.001). $\alpha$ is sometimes called the level of the test.
In contrast, typically, the FNR varies as we vary the non-null model: it is a function of the specific non-null model. This is understandable: some cases are more easy to discriminate from a null while some are more ambiguous. In our example, if we are using the empirical mean, it is easier to reject the null if the difference of the true means is 100 instead of 1 (keeping the variances constant). This function of non-null model to FNR is called the power function of the test.
The FPR and FNR are linked. Typically, the rate of classification is continuous as we vary the model. For models that are thus almost-null (there is an effect but almost imperceptible, ie: the two means are almost identical), the FNR is $1 - \alpha$. If we go further from the null, then the FNR is going to go down in some method-specific way.
3. Empirical validation
Critically, when we design a test to have a given FPR $\alpha$, there are typically assumptions being made about the ensemble $H_0$, and the ensemble $H_1$. For example, we might make assumptions about the data distribution, dependence structure, etc. We might also make assumptions about the data being large-enough (and the distributions being well-behaved) to justify asymptotic approximations of key intermediate quantities. These assumptions might not be valid for the kind of experiments we are performing in a specific domain.
We thus might want to check that, in a number of experiments with controlled generative model (ie: data which we generate ourselves from a known model) the theoretical properties of the method (derived from the analysis) match the empirical properties (which we can observe in the epxeriments). This is the approach of Caron, 2017
For example, we can choose a specific model in $H_0$, generate some large number $m$ of datasets from that model, and measure the empirical rate of $S_1$.
We can then compare that empirical rate to the theoretical rate.
Critically, we are not interested in whether the difference is statistically significant. We should take $m$ large enough so that the error bars on the empirical rate are much smaller than the theoretical rate $\alpha$. As a consequence, we can consider that the empirical rate is constant. In the results from the Caron paper, almost all their empirical rates are statistically different from the nominal rate.
What we should care about is whether the difference is meaningful. Indeed, the FPR being $4.99%$ is not far enough from $5%$ to care. Caron gives the following rule: he highlights all cases where the theoretical rate is $5%$ but the empirical rate is lower than $2.5%$ or higher than $7.5%$. The details of that boundary are subjective, but that sounds about right to me.
If we want to be absolutely thorough, we should also investigate the FNR of the methods in $H_1$. However, due to the link of the FRP to the $1-FNR$ for almost-null models, this is not necessarily needed.
Note, like all experiments, the goal should be to extract meaning and intuition from the results. This should require some careful thinking about how to explore the ensemble $H_0$ and $H_1$ and summarize the results.
Note that, typically, we should expect the bootstrap tests to be succesful in such experiments because they are designed to minimize assumptions about the data.