The effect of Gibbs "temperature" on Bayesian prediction

2013-03-07 · originally a WordPress post


Recently I had a discussion with a colleague that revolved around the Gibbs distribution and Bayesian predictions. A function can (under some conditions) be transformed into a distribution, using the Gibbs measure. This is pretty nice, since it means we can (in theory) use a broad range of function to perform Bayesian prediction. However, there's a free parameter in this transformation, namely the 'inverse temperature' (for which we use notation $\beta$ here).

The issue is: this parameter often has no influence on Bayesian prediction. Why? Many times we can set it to any number, and our Bayesian predictions will be identical; the reason is not directly obvious.

The basic premises are as follows. A function $E(\bx;\bw)$ (where $\bw$ are the parameters) can (under some mild conditions) be transformed into a normalized probability distribution using the Gibbs measure that is defined as:

$$p_\beta(\bx;\bw) = \frac{e^{- \beta E(\bx;\bw)}}{Z_\beta(\bw)}$$

where we've used $Z_\beta(\bw) = \int_{\by}e^{- \beta E(\by;\bw)} \,d\by$. This distribution has a background in physics, where the $\beta$ parameter is called the "inverse temperature".

Now, suppose we've chosen some function $E(\bx;\bw)$, some i.i.d. sampled dataset $X$ and we choose a particular value of $\beta$. The question is: does the choice of $\beta$ have any effect on the Bayesian predictions? Recall that using the above equation we can construct the posterior distribution $p_\beta(\bw | X)$ using Bayes rule $p(\bw | X) = p(X|\bw) p(\bw) / p(X)$, and we could subsequently make Bayesian predictions for some new datapoint $\bx'$, by integrating out uncertainty in the parameters using $p(\bx' | X) = \int_{\bw} p_\beta(\bx' | \bw) p_\beta(\bw | X) \,d\bw$. Putting this into a single Bayesian prediction equation, we get:

\begin{align*} p(\bx' | X) &= \int_{\bw} p_\beta(\bx' | \bw) p_\beta(\bw | X) \,d\bw \\ &= \int_{\bw} p_\beta(\bx' | \bw) \cdot \frac{p_\beta(X|\bw) p(\bw)}{p(X)} \,d\bw \\ &= \frac{1}{p(X)} \int_{\bw} p_\beta(\bx' | \bw) \cdot p_\beta(X|\bw) \cdot p(\bw) \,d\bw \\ &= \frac{1}{p(X)} \int_{\bw} p(\bw) \cdot p_\beta(\bx' | \bw) \cdot \prod_i p(\bx_i|\bw) \,d\bw \\ \end{align*}

where $\bx_i$ is the $i$-th datapoint from our dataset $X$. Note that we've replaced $p(\bx_i ; \bw)$ with $p(\bx_i | \bw)$ since we're conditioning on $\bw$ here.

Now we can see that when we have a non-uniform prior, $\beta$ probably doesn't cancel out.

Uniform prior

We continue with the assumption of a uniform prior over $\bw$, so we can write: \begin{align*} p(\bx' | X) &\propto \int_{\bw} p_\beta(\bx' | \bw) \cdot p_\beta(X|\bw) \,d\bw \\ &= \int_{\bw} p_\beta(\bx' | \bw) \cdot \prod_{i=1}^N p_\beta(\bx_i|\bw) \,d\bw \\ &= \int_{\bw} \frac{e^{- \beta E(\bx';\bw)}}{Z_\beta(\bw)} \prod_{i=1}^N \frac{e^{- \beta E(\bx_i;\bw)}}{Z_\beta(\bw)} \,d\bw \\ \end{align*}

where we're still using $Z_\beta(\bw) = \int_{\by}e^{- \beta E(\by;\bw)} \,d\by$. In the last step we plugged in the Gibbs measure to transform functions $E(.)$ into distributions. The above equation is interpretable as "different choices of parameters are weighted according to their likelihood".

So the question remains: when does $\beta$ often 'cancel out' in the equation above?

Example with a Bernoulli model

To get a better feeling of the problem, we plug in a very simple case of modelling a binary variable using the function $E(head;w) = w$,
and $E(tail;w) = -w$. We transform this into a distribution using the Gibbs measure:

$$p_\beta(head|w) = \frac{e^{\beta w}}{e^{\beta w}+e^{- \beta w}} = \frac{1}{1 + e^{-\beta w}}$$ $$p_\beta(tail|w) = \frac{e^{-\beta w}}{e^{\beta w}+e^{- \beta w}} = \frac{1}{1 + e^{\beta w}}$$

Note (2026): with $E(head;w)=w$ as defined above, the Gibbs measure gives $p_\beta(head|w) \propto e^{-\beta w}$; the two expressions here correspond to $E(head;w)=-w$. The argument is unaffected.

Our trainingset consists of three observations $X = \{tail, head, head\}$. The likelihood becomes:

$$p_\beta(X|w) = \frac{1}{(1 + e^{\beta w}) \cdot (1 + e^{-\beta w})^2}$$

But we don't actually need this to intuitively see what the effect of varying $\beta$ is. If we double the value of $\beta$, we need to half the value of $w$ in order to keep the likelihood function constant. In other words, increasing $\beta$ makes the likelihood function more 'peaky' (and decreasing $\beta$ makes the value more spread out). In Bayesian prediction, the prediction is a 'weighted average' over predictions for individual weights, where the 'weight' is proportional to the likelihood. If we increase $\beta$, we proportionally move weights from large values of $\bw$ to small value of $\bw$ in our predictions. This effect cancels each other out exactly in some cases.

It only exactly cancels out when the effect of $\beta$ on $p_\beta(\bx;\bw)$ can be counter-effected by changing the parameters $\bw$, and when we have a uniform prior on the weights. That is not always the case, but is still often the case (such as in logistic regression).