Why Variational Inference?
Bayesian inference, in its idealized form, is a single-step procedure. We write down a prior \(p(\boldsymbol{z})\) over latent variables and
a likelihood \(p_{\boldsymbol{\theta}}(\boldsymbol{x} \mid \boldsymbol{z})\) generating observations, so that the joint factorizes as
\[
p_{\boldsymbol{\theta}}(\boldsymbol{x}, \boldsymbol{z}) = p_{\boldsymbol{\theta}}(\boldsymbol{x} \mid \boldsymbol{z}) p(\boldsymbol{z}).
\]
Here the prior is taken to be independent of \(\boldsymbol{\theta}\), in line with the notation of the variational inference literature.
Bayes' rule then gives the posterior and the evidence,
\[
\begin{align*}
p_{\boldsymbol{\theta}}(\boldsymbol{z} \mid \boldsymbol{x})
&= \frac{p_{\boldsymbol{\theta}}(\boldsymbol{x}, \boldsymbol{z})}
{p_{\boldsymbol{\theta}}(\boldsymbol{x})} \\\\
p_{\boldsymbol{\theta}}(\boldsymbol{x})
&= \int p_{\boldsymbol{\theta}}(\boldsymbol{x}, \boldsymbol{z}) \, d\boldsymbol{z}.
\end{align*}
\]
Here and throughout, \(\boldsymbol{x}\) is an observation with \(0 \lt p_{\boldsymbol{\theta}}(\boldsymbol{x}) \lt \infty\), so that the
ratio is defined. This density form of Bayes' rule is the analogue of
Bayes' theorem for events, and we take it for granted here.
We use \(\int \cdot \, d\boldsymbol{z}\) throughout to denote integration against the appropriate reference measure on the latent space
(Lebesgue measure for continuous \(\boldsymbol{z}\), counting measure for discrete \(\boldsymbol{z}\), product for mixed cases). All
densities below are understood as densities with respect to this reference measure. The difficulty hidden in the formula is the
evidence \(p_{\boldsymbol{\theta}}(\boldsymbol{x})\). When, for instance, \(\boldsymbol{z}\) is the parameter of an
exponential-family likelihood and the prior is conjugate to that likelihood, the integral admits a closed form. Outside such regimes, as
with neural-network likelihoods, non-conjugate priors, or discrete-continuous interactions, there is in general no analytic solution, and
numerical quadrature scales prohibitively in the dimension of \(\boldsymbol{z}\). The posterior itself is a conditional distribution. Each
of its probabilities is a
conditional expectation of
an indicator, and selecting these versions coherently across all sets of latent values is the question of regular conditional distributions,
discussed but not developed on the linked page. What variational inference addresses is the intractability of computing with the
posterior, not its existence.
Variational inference (VI) replaces the intractable computation with a tractable one of a different shape. We restrict
attention to a family \(\mathcal{Q}\) of distributions over \(\boldsymbol{z}\) that we have decided in advance we can compute with.
Typically \(\mathcal{Q}\) is a parametric family \(\{q_{\boldsymbol{\psi}}(\boldsymbol{z}) : \boldsymbol{\psi} \in \Psi\}\) indexed by
variational parameters \(\boldsymbol{\psi}\). Inside this family we look for the member closest to the true posterior
in the Kullback-Leibler divergence:
\[
\boldsymbol{\psi}^* = \arg\min_{\boldsymbol{\psi} \in \Psi}
D_{\mathrm{KL}}\!\left( q_{\boldsymbol{\psi}}(\boldsymbol{z}) \,\|\, p_{\boldsymbol{\theta}}(\boldsymbol{z} \mid \boldsymbol{x}) \right).
\]
The linked definition is stated for finite sample spaces. Below we use its analogue for densities,
\(D_{\mathrm{KL}}(q \,\|\, p) = \int q \log (q/p) \, d\boldsymbol{z}\), with the same conventions for zeros.
The geometric picture is clean. The family \(\mathcal{Q}\) is a set of distributions, the true posterior is a single distribution generally
lying outside \(\mathcal{Q}\), and \(\boldsymbol{\psi}^*\) selects the member of \(\mathcal{Q}\) closest to the posterior in the sense of KL.
Because the KL divergence is not symmetric, this notion of "closest" depends on the order of the arguments. The choice
\(D_{\mathrm{KL}}(q_{\boldsymbol{\psi}} \,\|\, p_{\boldsymbol{\theta}}(\cdot \mid \boldsymbol{x}))\) above, rather than the reverse, is
itself a modeling decision, with consequences we return to in the closing section.
The substitution carries an immediate complication. The objective
\(D_{\mathrm{KL}}(q_{\boldsymbol{\psi}} \,\|\, p_{\boldsymbol{\theta}}(\cdot \mid \boldsymbol{x}))\) is itself defined in terms of the
intractable posterior, so it cannot be evaluated directly. The headline payoff of the next section is that an algebraic
rearrangement converts KL minimization into an equivalent objective, the evidence lower bound (ELBO), which depends only on
the joint \(p_{\boldsymbol{\theta}}(\boldsymbol{x}, \boldsymbol{z})\) and on \(q_{\boldsymbol{\psi}}(\boldsymbol{z})\). Both are tractable by
construction. Maximizing the ELBO is exactly the same problem as minimizing the KL, but stated in a form one can actually compute.
Where needed, we adopt the absolute-continuity hypothesis \(q_{\boldsymbol{\psi}} \ll p_{\boldsymbol{\theta}}(\cdot \mid \boldsymbol{x})\),
under which the KL is well-defined as an element of \([0, \infty]\), together with the integrability hypothesis, namely that
\(\log p_{\boldsymbol{\theta}}(\boldsymbol{x}, \boldsymbol{z})\) and \(\log q_{\boldsymbol{\psi}}(\boldsymbol{z})\) are
\(q_{\boldsymbol{\psi}}\)-integrable. Whether they hold depends on the model as well as on the family. A Gaussian \(q_{\boldsymbol{\psi}}\),
whose density is positive on the whole latent space, violates the first against a posterior confined to a bounded region. The theorems below
state which of these hypotheses, if any, they use.
With the ELBO substitution in hand, what was an integration problem has become an optimization problem over \(\boldsymbol{\psi}\). This trade
is favorable because optimization in high dimensions has far more developed machinery than integration: stochastic gradient methods,
automatic differentiation, and the entire toolkit of modern deep learning are available to attack it. Variational inference trades the
asymptotic exactness of MCMC-style sampling for tractable, fast, gradient-based optimization in a chosen surrogate family, at the price that
the result is only as good as the family allows.
The reader familiar with the variational autoencoder literature will recognize this framework as the foundation of the VAE. A VAE combines
the amortized specialization of the variational program below, in which a neural network (the inference network) reads
\(\boldsymbol{x}_n\) and produces the variational parameters \(\boldsymbol{\psi}_n = f_{\boldsymbol{\phi}}(\boldsymbol{x}_n)\), with the
learning of the model parameters \(\boldsymbol{\theta}\) by maximizing the same ELBO. We treat the non-amortized case throughout. The
amortized reduction is developed in Variational Autoencoders and builds on
this framework rather than replacing it.
The notation is consistent with the earlier measure-theoretic probability pages and with the advanced machine learning literature. The
probability space is \((\Omega, \mathcal{F}, \mathbb{P})\), with \(\boldsymbol{x}\) and \(\boldsymbol{z}\) measurable functions on \(\Omega\)
taking values in observation- and latent-spaces respectively. Lowercase letters \(p_{\boldsymbol{\theta}}, q_{\boldsymbol{\psi}}\) denote
densities with respect to the reference measures on the latent and observation spaces, extending to the observation space the convention
adopted above for the latent space. When the reference measure is clear from context, we follow the variational-inference literature and
sometimes call these densities "distributions".
The joint density \(p_{\boldsymbol{\theta}}(\boldsymbol{x}, \boldsymbol{z})\) is parameterized by the model parameters
\(\boldsymbol{\theta}\), regarded as fixed throughout the inference problem (their estimation is a separate task that this page does not
address). The variational density \(q_{\boldsymbol{\psi}}(\boldsymbol{z})\) is parameterized by the variational parameters
\(\boldsymbol{\psi}\), and the variational family \(\mathcal{Q} = \{q_{\boldsymbol{\psi}} : \boldsymbol{\psi} \in \Psi\}\) is the set of all
such densities as \(\boldsymbol{\psi}\) ranges over its parameter space \(\Psi\).
The ELBO is denoted \(\mathcal{L}(\boldsymbol{\theta}, \boldsymbol{\psi} \mid \boldsymbol{x})\) throughout. The symbol \(\mathcal{L}\) refers
to the ELBO itself, which is maximized, and not to its negation, the variational free energy, which is minimized. The two conventions differ
only by a sign and yield equivalent optimization problems, and this page uses the maximization convention. Where convenient, we follow a
standard abuse of notation in the variational-inference literature and write
\(q_{\boldsymbol{\psi}} \ll p_{\boldsymbol{\theta}}(\cdot \mid \boldsymbol{x})\) and
\(D_{\mathrm{KL}}(q_{\boldsymbol{\psi}} \,\|\, p_{\boldsymbol{\theta}}(\cdot \mid \boldsymbol{x}))\) with the densities themselves as
arguments. Such expressions are statements about the induced probability measures \(Q_{\boldsymbol{\psi}}\) and
\(P_{\boldsymbol{\theta}}(\cdot \mid \boldsymbol{x})\) on the latent space.
The ELBO and the KL Decomposition
We define the evidence lower bound, prove that it is indeed a lower bound on the log-evidence by a direct application of Jensen's inequality,
and then prove the central exact identity
\[
\log p_{\boldsymbol{\theta}}(\boldsymbol{x}) = \mathcal{L}(\boldsymbol{\theta}, \boldsymbol{\psi} \mid \boldsymbol{x})
+ D_{\mathrm{KL}}(q_{\boldsymbol{\psi}} \,\|\, p_{\boldsymbol{\theta}}(\cdot \mid \boldsymbol{x})).
\]
The Jensen bound and the exact decomposition are two views of the same fact, one an inequality and the other an equality. We present the
inequality first because it is the standard entry point. The equality absorbs the inequality as a corollary and is the working tool in
everything that follows.
The ELBO Definition
Definition: Evidence Lower Bound (ELBO)
Let \(p_{\boldsymbol{\theta}}(\boldsymbol{x}, \boldsymbol{z})\) be a generative model with observations \(\boldsymbol{x}\) and latent
variables \(\boldsymbol{z}\), and let \(q_{\boldsymbol{\psi}}(\boldsymbol{z})\) be a variational distribution from a chosen family
\(\mathcal{Q}\). The evidence lower bound (ELBO) of \(q_{\boldsymbol{\psi}}\) at observation \(\boldsymbol{x}\) is
\[
\mathcal{L}(\boldsymbol{\theta}, \boldsymbol{\psi} \mid \boldsymbol{x})
\triangleq
\mathbb{E}_{q_{\boldsymbol{\psi}}(\boldsymbol{z})}\!\left[
\log p_{\boldsymbol{\theta}}(\boldsymbol{x}, \boldsymbol{z})
- \log q_{\boldsymbol{\psi}}(\boldsymbol{z})
\right].
\]
Equivalently, separating the joint into likelihood and prior gives the decomposition
\[
\mathcal{L}(\boldsymbol{\theta}, \boldsymbol{\psi} \mid \boldsymbol{x})
=
\underbrace{\mathbb{E}_{q_{\boldsymbol{\psi}}(\boldsymbol{z})}\!\left[
\log p_{\boldsymbol{\theta}}(\boldsymbol{x} \mid \boldsymbol{z})
\right]}_{\text{expected log-likelihood}}
-
\underbrace{D_{\mathrm{KL}}\!\left(
q_{\boldsymbol{\psi}}(\boldsymbol{z}) \,\big\|\, p(\boldsymbol{z})
\right)}_{\text{KL to prior}},
\]
which exhibits the ELBO as a balance between data fit and regularization against the prior. The two forms agree whenever both terms of
the second are finite, but the second form can fail to be defined even when the first is finite. The prior-KL term can be finite only
when \(q_{\boldsymbol{\psi}} \ll p\) (the variational density is absolutely continuous with respect to the prior), and whenever the
prior-KL form is invoked we assume that both of its terms are finite.
The two forms of the ELBO are connected by the identity
\[
\log p_{\boldsymbol{\theta}}(\boldsymbol{x}, \boldsymbol{z}) = \log p_{\boldsymbol{\theta}}(\boldsymbol{x} \mid \boldsymbol{z}) + \log p(\boldsymbol{z})
\]
together with the definition of the KL divergence. The first form is what we use to prove the lower-bound property and the exact
decomposition. The second form drives variational autoencoders, where the expected log-likelihood is the "reconstruction" term and the KL to
the prior is the "regularization" term. We work with the first form from here on.
Three remarks before proceeding. First, the ELBO depends on \(\boldsymbol{x}\) through the joint and on \(\boldsymbol{\psi}\) through the
variational distribution. It depends on \(\boldsymbol{\theta}\) only via the model's joint density. Throughout this section
\(\boldsymbol{\theta}\) is fixed, and we occasionally drop it from the notation when the dependence is not in play. Second, the expectation
\(\mathbb{E}_{q_{\boldsymbol{\psi}}(\boldsymbol{z})}[\,\cdot\,]\) is against the variational distribution, not against the intractable
posterior. That choice is the computational point of the construction, since \(q_{\boldsymbol{\psi}}\) has been chosen precisely so that such
expectations can be computed, analytically for Gaussian \(q_{\boldsymbol{\psi}}\) with simple likelihoods and by Monte Carlo otherwise.
Third, the integrand \(\log p_{\boldsymbol{\theta}}(\boldsymbol{x}, \boldsymbol{z}) - \log q_{\boldsymbol{\psi}}(\boldsymbol{z})\) is the
logarithm of the density ratio \(p_{\boldsymbol{\theta}}(\boldsymbol{x}, \boldsymbol{z}) / q_{\boldsymbol{\psi}}(\boldsymbol{z})\), which one
should think of as the unnormalized "importance weight" of sampling \(\boldsymbol{z}\) from \(q_{\boldsymbol{\psi}}\) when the target is the
joint \(p_{\boldsymbol{\theta}}(\boldsymbol{x}, \boldsymbol{z})\). The connection to importance sampling is more than notational. Tighter
bounds built on it, such as IWAE, sharpen the ELBO by averaging several importance weights before taking the logarithm.
The Jensen Lower Bound
The ELBO is not just any quantity associated with \(q_{\boldsymbol{\psi}}\). It is a lower bound on the log-evidence
\(\log p_{\boldsymbol{\theta}}(\boldsymbol{x})\), and the inequality holds for every \(q_{\boldsymbol{\psi}}\) in the variational family
under the integrability of the two logarithms alone. The proof is a one-step application of Jensen's inequality.
Theorem: ELBO is a Lower Bound on the Log-Evidence
Assume the integrability hypothesis that
\(\mathbb{E}_{q_{\boldsymbol{\psi}}}[|\log p_{\boldsymbol{\theta}}(\boldsymbol{x}, \boldsymbol{z})|]\) and
\(\mathbb{E}_{q_{\boldsymbol{\psi}}}[|\log q_{\boldsymbol{\psi}}(\boldsymbol{z})|]\) are finite, so that
\(\mathcal{L}(\boldsymbol{\theta}, \boldsymbol{\psi} \mid \boldsymbol{x})\) is well-defined. Then for every
\(\boldsymbol{\psi} \in \Psi\) and every \(\boldsymbol{x}\),
\[
\mathcal{L}(\boldsymbol{\theta}, \boldsymbol{\psi} \mid \boldsymbol{x})
\leq
\log p_{\boldsymbol{\theta}}(\boldsymbol{x}).
\]
No separate absolute-continuity hypothesis between \(q_{\boldsymbol{\psi}}\) and the posterior is imposed. As the proof shows, the
integrability hypothesis already forces \(p_{\boldsymbol{\theta}}(\boldsymbol{x}, \boldsymbol{z}) \gt 0\) for
\(q_{\boldsymbol{\psi}}\)-almost every \(\boldsymbol{z}\).
Proof.
Starting from the ELBO and writing the integrand as a logarithm of a ratio,
\[
\begin{align*}
\mathcal{L}(\boldsymbol{\theta}, \boldsymbol{\psi} \mid \boldsymbol{x})
&= \mathbb{E}_{q_{\boldsymbol{\psi}}(\boldsymbol{z})}\!\left[
\log \frac{p_{\boldsymbol{\theta}}(\boldsymbol{x}, \boldsymbol{z})}
{q_{\boldsymbol{\psi}}(\boldsymbol{z})}
\right] \\\\
&\leq \log \mathbb{E}_{q_{\boldsymbol{\psi}}(\boldsymbol{z})}\!\left[
\frac{p_{\boldsymbol{\theta}}(\boldsymbol{x}, \boldsymbol{z})}
{q_{\boldsymbol{\psi}}(\boldsymbol{z})}
\right] \\\\
&= \log \int q_{\boldsymbol{\psi}}(\boldsymbol{z})
\frac{p_{\boldsymbol{\theta}}(\boldsymbol{x}, \boldsymbol{z})}
{q_{\boldsymbol{\psi}}(\boldsymbol{z})} \, d\boldsymbol{z} \\\\
&= \log \int p_{\boldsymbol{\theta}}(\boldsymbol{x}, \boldsymbol{z}) \, d\boldsymbol{z}
= \log p_{\boldsymbol{\theta}}(\boldsymbol{x}).
\end{align*}
\]
The inequality is Jensen's inequality applied with the
convex function \(-\log\) on the interval \((0, \infty)\), with the expectation taken against \(q_{\boldsymbol{\psi}}\). The ratio takes
values in this interval \(q_{\boldsymbol{\psi}}\)-almost surely, because the integrability hypothesis on
\(\log p_{\boldsymbol{\theta}}(\boldsymbol{x}, \boldsymbol{z})\) rules out
\(p_{\boldsymbol{\theta}}(\boldsymbol{x}, \boldsymbol{z}) = 0\) on a set of positive \(q_{\boldsymbol{\psi}}\)-probability, and its
expectation is at most \(p_{\boldsymbol{\theta}}(\boldsymbol{x}) \lt \infty\) by the last two lines.
The cancellation in the third line uses the identity
\[
q_{\boldsymbol{\psi}}(\boldsymbol{z}) \cdot p_{\boldsymbol{\theta}}(\boldsymbol{x}, \boldsymbol{z}) / q_{\boldsymbol{\psi}}(\boldsymbol{z})
= p_{\boldsymbol{\theta}}(\boldsymbol{x}, \boldsymbol{z})
\]
which holds wherever \(q_{\boldsymbol{\psi}}(\boldsymbol{z}) \gt 0\). Strictly speaking, the integral on that line is taken over
\(\{q_{\boldsymbol{\psi}} \gt 0\}\), so it is at most
\(\int p_{\boldsymbol{\theta}}(\boldsymbol{x}, \boldsymbol{z}) \, d\boldsymbol{z}\). Equality holds when
\(\{q_{\boldsymbol{\psi}} \gt 0\}\) contains \(\{p_{\boldsymbol{\theta}}(\boldsymbol{x}, \cdot) \gt 0\}\) up to a null set. Without this
covering property the step from the third line to the fourth becomes an inequality in the same direction, which only strengthens the
conclusion. A variational density that is positive everywhere, such as a Gaussian, always has the covering property.
The Jensen step deserves a moment of reflection. The inequality \(\mathbb{E}[\log Y] \leq \log \mathbb{E}[Y]\) is a one-direction relation,
and beyond its equality case Jensen tells us nothing in general about how tight it is. The bound
\(\mathcal{L} \leq \log p_{\boldsymbol{\theta}}(\boldsymbol{x})\) it produces is sharp in a precise sense. Because \(-\log\) is strictly
convex, equality holds in the Jensen step if and only if the ratio
\[
p_{\boldsymbol{\theta}}(\boldsymbol{x}, \boldsymbol{z}) / q_{\boldsymbol{\psi}}(\boldsymbol{z})
\]
is \(q_{\boldsymbol{\psi}}\)-almost-everywhere equal to a constant \(c\), by the equality case of the Jensen statement linked
above. The constant is then
\(c = \int_{\{q_{\boldsymbol{\psi}} \gt 0\}} p_{\boldsymbol{\theta}}(\boldsymbol{x}, \boldsymbol{z}) \, d\boldsymbol{z}\), and the step
governed by the covering property is an equality as well exactly when \(c = p_{\boldsymbol{\theta}}(\boldsymbol{x})\). Both steps are
equalities precisely when, for almost every \(\boldsymbol{z}\),
\[
q_{\boldsymbol{\psi}}(\boldsymbol{z}) = p_{\boldsymbol{\theta}}(\boldsymbol{z} \mid \boldsymbol{x}).
\]
In that case the ratio equals \(p_{\boldsymbol{\theta}}(\boldsymbol{x})\) wherever \(q_{\boldsymbol{\psi}}\) is positive, and the Jensen
bound recovers the log-evidence exactly. The variational family \(\mathcal{Q}\) may or may not be rich enough to meet this condition.
The Exact KL Decomposition
The Jensen bound is suggestive but, on its own, gives no information about the gap between the ELBO and the log-evidence. The exact
decomposition fills this in by identifying the gap as precisely the KL divergence from the variational distribution to the true posterior.
This identity is the central result of variational inference.
Theorem: ELBO-KL Decomposition
Assume the absolute-continuity hypothesis
\(q_{\boldsymbol{\psi}} \ll p_{\boldsymbol{\theta}}(\cdot \mid \boldsymbol{x})\),
together with the integrability hypothesis that
\(\mathbb{E}_{q_{\boldsymbol{\psi}}}[|\log p_{\boldsymbol{\theta}}(\boldsymbol{x}, \boldsymbol{z})|]\)
and
\(\mathbb{E}_{q_{\boldsymbol{\psi}}}[|\log q_{\boldsymbol{\psi}}(\boldsymbol{z})|]\)
are finite (whence the KL term on the right-hand side is finite). Then for every
\(\boldsymbol{\psi} \in \Psi\) and every \(\boldsymbol{x}\),
\[
\log p_{\boldsymbol{\theta}}(\boldsymbol{x})
=
\mathcal{L}(\boldsymbol{\theta}, \boldsymbol{\psi} \mid \boldsymbol{x})
+
D_{\mathrm{KL}}\!\left(
q_{\boldsymbol{\psi}}(\boldsymbol{z}) \,\big\|\, p_{\boldsymbol{\theta}}(\boldsymbol{z} \mid \boldsymbol{x})
\right).
\]
Proof.
Start from the definition of the KL divergence, expand the posterior using Bayes' rule
\[
p_{\boldsymbol{\theta}}(\boldsymbol{z} \mid \boldsymbol{x})
= p_{\boldsymbol{\theta}}(\boldsymbol{x}, \boldsymbol{z}) / p_{\boldsymbol{\theta}}(\boldsymbol{x}),
\]
and separate the resulting expectation:
\[
\begin{align*}
D_{\mathrm{KL}}\!\left(
q_{\boldsymbol{\psi}} \,\big\|\, p_{\boldsymbol{\theta}}(\cdot \mid \boldsymbol{x})
\right)
&= \mathbb{E}_{q_{\boldsymbol{\psi}}(\boldsymbol{z})}\!\left[
\log \frac{q_{\boldsymbol{\psi}}(\boldsymbol{z})}
{p_{\boldsymbol{\theta}}(\boldsymbol{z} \mid \boldsymbol{x})}
\right] \\\\
&= \mathbb{E}_{q_{\boldsymbol{\psi}}(\boldsymbol{z})}\!\left[
\log q_{\boldsymbol{\psi}}(\boldsymbol{z})
\,-\, \log p_{\boldsymbol{\theta}}(\boldsymbol{x}, \boldsymbol{z})
\,+\, \log p_{\boldsymbol{\theta}}(\boldsymbol{x})
\right] \\\\
&= -\,\mathbb{E}_{q_{\boldsymbol{\psi}}(\boldsymbol{z})}\!\left[
\log p_{\boldsymbol{\theta}}(\boldsymbol{x}, \boldsymbol{z})
\,-\, \log q_{\boldsymbol{\psi}}(\boldsymbol{z})
\right]
\,+\, \log p_{\boldsymbol{\theta}}(\boldsymbol{x}) \\\\
&= -\,\mathcal{L}(\boldsymbol{\theta}, \boldsymbol{\psi} \mid \boldsymbol{x})
\,+\, \log p_{\boldsymbol{\theta}}(\boldsymbol{x}).
\end{align*}
\]
The third line uses the linearity of the expectation and the fact that \(\log p_{\boldsymbol{\theta}}(\boldsymbol{x})\)
does not depend on \(\boldsymbol{z}\), so its expectation against \(q_{\boldsymbol{\psi}}\) equals itself.
Rearranging gives the claimed identity.
We add a few words on the rigorous backing of this manipulation. The ratio
\(q_{\boldsymbol{\psi}}(\boldsymbol{z}) / p_{\boldsymbol{\theta}}(\boldsymbol{z} \mid \boldsymbol{x})\) is, at the level of measures, the
Radon-Nikodym derivative
\(d q_{\boldsymbol{\psi}} / d p_{\boldsymbol{\theta}}(\cdot \mid \boldsymbol{x})\). The
absolute-continuity hypothesis of the theorem
guarantees its existence, and the integrability hypothesis guarantees finiteness of the expectations involved. The remaining steps split the
logarithm by linearity of expectation and pull out the constant \(\log p_{\boldsymbol{\theta}}(\boldsymbol{x})\). Both are standard
manipulations of Lebesgue integrals, justified term by term once each integrand is \(q_{\boldsymbol{\psi}}\)-integrable.
Two Consequences
The decomposition has two consequences that drive everything that follows on this page.
The Jensen bound is recovered as a corollary, under the decomposition's hypotheses.
Under the absolute-continuity hypothesis \(q_{\boldsymbol{\psi}} \ll p_{\boldsymbol{\theta}}(\cdot \mid \boldsymbol{x})\) of the
decomposition theorem, the KL term is non-negative by
Gibbs' inequality, which the linked page proves for finite
sample spaces and which we use here in its density form without proof. The decomposition then gives
\[
\log p_{\boldsymbol{\theta}}(\boldsymbol{x}) \geq \mathcal{L}(\boldsymbol{\theta}, \boldsymbol{\psi} \mid \boldsymbol{x}),
\]
with equality if and only if \(q_{\boldsymbol{\psi}} = p_{\boldsymbol{\theta}}(\cdot \mid \boldsymbol{x})\) almost everywhere under
\(q_{\boldsymbol{\psi}}\). The corollary costs nothing beyond the hypotheses of the Jensen-based proof. The integrability hypothesis of that
proof already makes \(p_{\boldsymbol{\theta}}(\boldsymbol{x}, \boldsymbol{z})\) positive for \(q_{\boldsymbol{\psi}}\)-almost every
\(\boldsymbol{z}\), so every set of posterior probability zero has \(q_{\boldsymbol{\psi}}\)-probability zero, which is the
absolute-continuity hypothesis. What the corollary adds is the exact gap, and with it the fact that the bound is tight exactly when
\(q_{\boldsymbol{\psi}}\) is the posterior.
ELBO maximization is KL minimization.
Fix \(\boldsymbol{x}\) and \(\boldsymbol{\theta}\). Then \(\log p_{\boldsymbol{\theta}}(\boldsymbol{x})\) is a constant in
\(\boldsymbol{\psi}\), and the decomposition becomes
\[
\mathcal{L}(\boldsymbol{\theta}, \boldsymbol{\psi} \mid \boldsymbol{x})
= \log p_{\boldsymbol{\theta}}(\boldsymbol{x})
- D_{\mathrm{KL}}(q_{\boldsymbol{\psi}} \,\|\, p_{\boldsymbol{\theta}}(\cdot \mid \boldsymbol{x})).
\]
Maximizing \(\mathcal{L}\) over \(\boldsymbol{\psi}\) is therefore exactly the same optimization problem as minimizing the KL divergence over
\(\boldsymbol{\psi}\). This equivalence licenses the entire variational program. The program converts the original problem
\[
\boldsymbol{\psi}^*
= \arg\min_{\boldsymbol{\psi}} D_{\mathrm{KL}}(q_{\boldsymbol{\psi}} \,\|\, p_{\boldsymbol{\theta}}(\cdot \mid \boldsymbol{x})),
\]
which involves the intractable posterior, into the equivalent problem of maximizing the ELBO, and the conversion involves no approximation.
The ELBO involves only the joint \(p_{\boldsymbol{\theta}}(\boldsymbol{x}, \boldsymbol{z})\) and the variational distribution
\(q_{\boldsymbol{\psi}}(\boldsymbol{z})\), and we can compute with both by construction.
The remaining work, namely the choice of variational family, gradient computation, and coordinate-ascent updates, occupies the rest
of this page.
Choice of Variational Family
The variational family \(\mathcal{Q}\) is a modeling choice that the practitioner makes before running any algorithm, and it determines both
the quality of the approximation and the cost of finding it. Two families are sufficiently common that they organize much of the variational
literature. We introduce them here informally, and each receives a fuller treatment in the algorithmic sections that follow.
The first is the fixed-form family. One chooses a parametric distribution and optimizes its parameters by gradient methods
on the ELBO. The most common choice is a multivariate Gaussian
\[
q_{\boldsymbol{\psi}}(\boldsymbol{z}) = \mathcal{N}(\boldsymbol{z} \mid \boldsymbol{\mu}, \boldsymbol{\Sigma})
\]
with \(\boldsymbol{\psi} = (\boldsymbol{\mu}, \boldsymbol{\Sigma})\). The covariance structure of \(\boldsymbol{\Sigma}\) (full, diagonal, or
low-rank-plus-diagonal) trades expressivity against the cost of storage and inversion. A diagonal \(\boldsymbol{\Sigma}\) gives the
mean-field Gaussian that reappears below. The fixed-form approach is the path taken by variational autoencoders and is the natural target of
the gradient-based machinery developed in the next section.
The second is the mean-field family, in which the variational distribution factorizes across coordinate groups,
\[
q_{\boldsymbol{\psi}}(\boldsymbol{z}) = \prod_{j=1}^{J} q_j(\boldsymbol{z}_j),
\]
with \(\boldsymbol{z}\) partitioned into blocks \(\boldsymbol{z}_1, \ldots, \boldsymbol{z}_J\) and each \(q_j\) a distribution on the
\(j\)-th block. The factors \(q_j\) are not constrained to lie in any particular parametric family. Instead, their functional forms are
derived from the model and the factorization by the coordinate-ascent procedure of a later section, which maximizes the
ELBO with respect to one factor at a time while holding the others fixed.
The mean-field family is historically the original variational construction and remains the workhorse of classical Bayesian VI, particularly
for models with conjugate updates between blocks. Its principal weakness is that it tends to underestimate posterior variance when the true
posterior has inter-block dependencies. The weakness is visible already in two dimensions, where a mean-field Gaussian cannot represent any
posterior correlation between the two coordinates.
The two families are not mutually exclusive. A mean-field factorization can have Gaussian factors, and mean-field Gaussian VI is a standard
baseline. A fixed-form parametric family can also be made richer by adopting structured rather than diagonal covariances. Richer alternatives
generalize both directions and are an active research frontier. They include normalizing flows, structured mean-field with learned dependency
graphs, and implicit posteriors specified by sampling rather than by a density. We mention some of them in the closing section but do not
develop them here.
Computing the ELBO Gradient
The decomposition theorem of the previous section reduces variational inference to the optimization problem
\[
\arg\max_{\boldsymbol{\psi}} \mathcal{L}(\boldsymbol{\theta}, \boldsymbol{\psi} \mid \boldsymbol{x}).
\]
For the parametric variational families used in practice, such as Gaussians, mean-field exponential families, and
neural-network-parameterized distributions, this is a continuous optimization in \(\boldsymbol{\psi}\), and the natural attack is gradient
ascent on the ELBO. The technical obstacle is that the ELBO is an expectation against a distribution whose parameters are themselves what we
are differentiating with respect to. Naive interchange of the gradient and the expectation is illegitimate, and recovering a valid gradient
estimator is the work of this section.
Two standard estimators address the obstacle. Both are unbiased, and they differ in variance and in what they require of
\(q_{\boldsymbol{\psi}}\). The reparameterization gradient applies when \(q_{\boldsymbol{\psi}}\) admits a sampling
representation \(\boldsymbol{z} = g_{\boldsymbol{\psi}}(\boldsymbol{\epsilon})\) with \(\boldsymbol{\epsilon}\) drawn from a fixed base
distribution. It pushes the \(\boldsymbol{\psi}\)-dependence inside the expectation, where ordinary differentiation under the integral sign
applies, and typically yields a low-variance estimator at the cost of requiring \(g_{\boldsymbol{\psi}}\) and the log-joint to be
differentiable. The score-function estimator, also called REINFORCE, applies much more widely, including when
\(\boldsymbol{z}\) is discrete or \(g_{\boldsymbol{\psi}}\) is non-differentiable, provided \(\log q_{\boldsymbol{\psi}}\) is differentiable
in \(\boldsymbol{\psi}\) and its support does not move with \(\boldsymbol{\psi}\). The estimator exploits an algebraic identity that
converts the gradient of the expectation into a different expectation that can be estimated by Monte Carlo. The price is high variance and a
corresponding need for variance-reduction techniques. We develop both estimators in turn, with the rigorous justification (in each case, an
application of dominated convergence) explicit.
The Gradient Interchange Problem
Write the ELBO as an explicit integral:
\[
\begin{align*}
\mathcal{L}(\boldsymbol{\theta}, \boldsymbol{\psi} \mid \boldsymbol{x})
&= \int q_{\boldsymbol{\psi}}(\boldsymbol{z}) \,
f_{\boldsymbol{\theta}}(\boldsymbol{x}, \boldsymbol{z}; \boldsymbol{\psi}) \, d\boldsymbol{z}, \\\\
f_{\boldsymbol{\theta}}(\boldsymbol{x}, \boldsymbol{z}; \boldsymbol{\psi})
&= \log p_{\boldsymbol{\theta}}(\boldsymbol{x}, \boldsymbol{z})
- \log q_{\boldsymbol{\psi}}(\boldsymbol{z}).
\end{align*}
\]
The \(\boldsymbol{\psi}\)-dependence enters in two places. The integrand \(f_{\boldsymbol{\theta}}\) contains \(\log q_{\boldsymbol{\psi}}\),
and the integrating measure is itself \(q_{\boldsymbol{\psi}}(\boldsymbol{z}) \, d\boldsymbol{z}\). The naive identity
\[
\nabla_{\boldsymbol{\psi}} \mathbb{E}_{q_{\boldsymbol{\psi}}(\boldsymbol{z})}\!\left[
h(\boldsymbol{z})
\right]
\stackrel{?}{=}
\mathbb{E}_{q_{\boldsymbol{\psi}}(\boldsymbol{z})}\!\left[
\nabla_{\boldsymbol{\psi}} h(\boldsymbol{z})
\right]
\]
fails in general because the right-hand side ignores the contribution of the gradient acting on the measure
\(q_{\boldsymbol{\psi}}\) itself. For an integrand that does not depend on \(\boldsymbol{\psi}\) (so that
\(\nabla_{\boldsymbol{\psi}} h = 0\)), the right-hand side would be identically zero, while the left-hand side is generally non-zero
whenever \(q_{\boldsymbol{\psi}}\) actually depends on \(\boldsymbol{\psi}\).
The legitimate operation underlying both estimators we develop below is differentiation under the integral sign, which the
dominated convergence theorem licenses provided one
can find a single integrable function dominating the \(\boldsymbol{\psi}\)-difference quotients uniformly in a neighborhood of the parameter
value. The two estimators differ in where they apply this principle. The reparameterization gradient first rewrites the expectation
against a fixed \(\boldsymbol{\psi}\)-independent measure (eliminating the second source of \(\boldsymbol{\psi}\)-dependence) and then
differentiates under the integral. By contrast, the score-function estimator differentiates under the integral directly and pays for the
\(\boldsymbol{\psi}\)-dependent measure with an algebraic identity that produces an additional term.
The Reparameterization Gradient
Suppose \(q_{\boldsymbol{\psi}}\) admits a reparameterization: a fixed base distribution \(p_0\) on some space
\(\mathcal{E}\), typically the standard multivariate Gaussian \(\mathcal{N}(\mathbf{0}, \mathbf{I})\), and a deterministic map
\(g_{\boldsymbol{\psi}} : \mathcal{E} \to \mathcal{Z}\) such that the law of \(g_{\boldsymbol{\psi}}(\boldsymbol{\epsilon})\)
under \(\boldsymbol{\epsilon} \sim p_0\) coincides with \(q_{\boldsymbol{\psi}}\). The canonical example is the location-scale
family for a Gaussian variational distribution. If
\(q_{\boldsymbol{\psi}}(\boldsymbol{z}) = \mathcal{N}(\boldsymbol{z} \mid \boldsymbol{\mu}, \operatorname{diag}(\boldsymbol{\sigma}^2))\)
with \(\boldsymbol{\psi} = (\boldsymbol{\mu}, \boldsymbol{\sigma})\), where \(\boldsymbol{\sigma}\) has positive entries, one
takes \(p_0 = \mathcal{N}(\mathbf{0}, \mathbf{I})\) and
\[
g_{\boldsymbol{\psi}}(\boldsymbol{\epsilon}) = \boldsymbol{\mu} + \boldsymbol{\sigma} \odot \boldsymbol{\epsilon},
\]
where \(\odot\) denotes element-wise multiplication. This construction is the
reparameterization trick
of variational autoencoders, and the present treatment isolates the gradient identity from any specific parametric form.
Theorem: Reparameterization Gradient
Let \(p_0\) be a probability distribution on \(\mathcal{E}\) and let
\(g_{\boldsymbol{\psi}} : \mathcal{E} \to \mathcal{Z}\) be a family of measurable maps,
indexed by \(\boldsymbol{\psi}\) in an open set \(\Psi \subseteq \mathbb{R}^d\),
such that \(g_{\boldsymbol{\psi}}(\boldsymbol{\epsilon}) \sim q_{\boldsymbol{\psi}}\)
when \(\boldsymbol{\epsilon} \sim p_0\). Let \(h_{\boldsymbol{\psi}} : \mathcal{Z} \to \mathbb{R}\) be a family of integrable
functions, possibly depending on \(\boldsymbol{\psi}\). Fix a parameter value of interest, and assume that for \(p_0\)-almost every
\(\boldsymbol{\epsilon}\) the map \(\boldsymbol{\psi} \mapsto h_{\boldsymbol{\psi}}(g_{\boldsymbol{\psi}}(\boldsymbol{\epsilon}))\) is
differentiable at that value, and that there exists a \(p_0\)-integrable dominating function \(M(\boldsymbol{\epsilon})\) with
\[
\big| h_{\boldsymbol{\psi}}(g_{\boldsymbol{\psi}}(\boldsymbol{\epsilon}))
- h_{\boldsymbol{\psi}'}(g_{\boldsymbol{\psi}'}(\boldsymbol{\epsilon})) \big|
\leq M(\boldsymbol{\epsilon}) \, \|\boldsymbol{\psi} - \boldsymbol{\psi}'\|
\]
for all \(\boldsymbol{\psi}, \boldsymbol{\psi}'\) in a neighborhood of the parameter value of interest.
Then
\[
\nabla_{\boldsymbol{\psi}} \, \mathbb{E}_{q_{\boldsymbol{\psi}}(\boldsymbol{z})}\!\left[
h_{\boldsymbol{\psi}}(\boldsymbol{z})
\right]
=
\mathbb{E}_{p_0(\boldsymbol{\epsilon})}\!\left[
\nabla_{\boldsymbol{\psi}} \, h_{\boldsymbol{\psi}}(g_{\boldsymbol{\psi}}(\boldsymbol{\epsilon}))
\right].
\]
Proof.
By the change-of-variables identity
\[
\mathbb{E}_{q_{\boldsymbol{\psi}}}[h_{\boldsymbol{\psi}}(\boldsymbol{z})]
= \mathbb{E}_{p_0}[h_{\boldsymbol{\psi}}(g_{\boldsymbol{\psi}}(\boldsymbol{\epsilon}))],
\]
which holds because \(g_{\boldsymbol{\psi}}\) pushes \(p_0\) forward to \(q_{\boldsymbol{\psi}}\). The right-hand side is an expectation
against the fixed base measure \(p_0\), which does not depend on \(\boldsymbol{\psi}\). The differentiability and domination hypotheses
imply that the family of difference quotients
\[
\big[h_{\boldsymbol{\psi}+t e_j}(g_{\boldsymbol{\psi}+t e_j}(\boldsymbol{\epsilon}))
- h_{\boldsymbol{\psi}}(g_{\boldsymbol{\psi}}(\boldsymbol{\epsilon}))\big] / t
\]
converges \(p_0\)-a.s. to
\[
\partial_{\psi_j} h_{\boldsymbol{\psi}}(g_{\boldsymbol{\psi}}(\boldsymbol{\epsilon}))
\]
as \(t \to 0\), and is dominated in absolute value by \(M(\boldsymbol{\epsilon})\) by the domination hypothesis. The
dominated convergence theorem therefore licenses
the interchange of the limit and the expectation along every sequence \(t_n \to 0\), which is exactly the differentiation under the
integral. Reading the coordinate-wise statement as a vector identity, with \(\nabla_{\boldsymbol{\psi}}\) the vector of partial
derivatives, gives the claim.
Applied to the ELBO with
\[
h_{\boldsymbol{\psi}}(\boldsymbol{z})
= \log p_{\boldsymbol{\theta}}(\boldsymbol{x}, \boldsymbol{z}) - \log q_{\boldsymbol{\psi}}(\boldsymbol{z}),
\]
the theorem gives, whenever its hypotheses hold for this choice of \(h_{\boldsymbol{\psi}}\),
\[
\nabla_{\boldsymbol{\psi}} \mathcal{L}(\boldsymbol{\theta}, \boldsymbol{\psi} \mid \boldsymbol{x})
=
\mathbb{E}_{p_0(\boldsymbol{\epsilon})}\!\left[
\nabla_{\boldsymbol{\psi}} \!\left(
\log p_{\boldsymbol{\theta}}(\boldsymbol{x}, g_{\boldsymbol{\psi}}(\boldsymbol{\epsilon}))
- \log q_{\boldsymbol{\psi}}(g_{\boldsymbol{\psi}}(\boldsymbol{\epsilon}))
\right)
\right],
\]
and the right-hand side is amenable to Monte Carlo estimation by drawing samples
\(\boldsymbol{\epsilon}^{(1)}, \ldots, \boldsymbol{\epsilon}^{(K)} \sim p_0\) and averaging the bracketed gradient.
Evaluating the integrand at a sample \(\boldsymbol{\epsilon}\) requires computing
\(\log q_{\boldsymbol{\psi}}(g_{\boldsymbol{\psi}}(\boldsymbol{\epsilon}))\). When the variational family has a known closed-form density, as
for Gaussian, Gamma, Beta, or exponential-family distributions, one simply substitutes
\(\boldsymbol{z} = g_{\boldsymbol{\psi}}(\boldsymbol{\epsilon})\) into that closed form.
When the family is defined only through the transform \(g_{\boldsymbol{\psi}}\), as in normalizing flows where the variational density is
induced by composing Jacobian-tractable diffeomorphisms with the base distribution, the closed form is unavailable and the
change-of-variables formula is the only route. If \(g_{\boldsymbol{\psi}} : \mathcal{E} \to \mathcal{Z}\) is a diffeomorphism onto its image
with Jacobian \(\partial g_{\boldsymbol{\psi}} / \partial \boldsymbol{\epsilon}\), the densities are related by the multivariable
change-of-variables formula, which we use without proof,
\[
\log q_{\boldsymbol{\psi}}(\boldsymbol{z})
=
\log p_0(\boldsymbol{\epsilon})
-
\log \!\left| \det \frac{\partial g_{\boldsymbol{\psi}}}{\partial \boldsymbol{\epsilon}}(\boldsymbol{\epsilon}) \right|,
\quad
\boldsymbol{z} = g_{\boldsymbol{\psi}}(\boldsymbol{\epsilon}).
\]
The two routes agree where they overlap. For the location-scale Gaussian
\[
g_{\boldsymbol{\psi}}(\boldsymbol{\epsilon}) = \boldsymbol{\mu} + \boldsymbol{\sigma} \odot \boldsymbol{\epsilon},
\]
the Jacobian is \(\operatorname{diag}(\boldsymbol{\sigma})\) and the log-determinant is \(\sum_k \log \sigma_k\), and the change-of-variables
expression reduces to the closed-form Gaussian log-density that one would have written down directly.
The practical relevance of the formula is therefore that it lifts the reparameterization trick to families without closed-form densities.
Designing \(g_{\boldsymbol{\psi}}\) so that its Jacobian determinant is tractable is the central constraint on the variational family in such
cases. Full-covariance Gaussians use a triangular Cholesky factor \(\mathbf{L}\) with positive diagonal, whose log-determinant is
\(\sum_k \log L_{kk}\), and richer families such as normalizing flows compose Jacobian-tractable maps to extend expressiveness while
preserving the closed-form log-determinant. For the closed-form Gaussian case, the
reparameterization trick is developed
on the variational autoencoder page, where the
ELBO decomposition labels the KL to the
prior as the regularization term.
A complementary technique, automatic differentiation variational inference (ADVI), addresses the case where the latent
space \(\mathcal{Z}\) is a constrained subset of \(\mathbb{R}^D\) (positivity, simplex, bounded interval) by composing a fixed bijection
\(T : \mathcal{Z} \to \mathbb{R}^D\) with a Gaussian variational distribution on the unconstrained space. The density on \(\mathcal{Z}\)
is recovered by the same change-of-variables formula, and the resulting ELBO is differentiable in the variational parameters by
automatic differentiation through \(T^{-1}\) and the model. ADVI is implemented in probabilistic programming systems such as Stan and
PyMC, and it is a special case of the reparameterization gradient with the bijection chosen to handle parameter constraints rather than
to expand expressiveness.
The crucial feature of all of the above is that the entire chain
\[
\boldsymbol{\epsilon}
\mapsto g_{\boldsymbol{\psi}}(\boldsymbol{\epsilon})
\mapsto \log p_{\boldsymbol{\theta}}(\boldsymbol{x}, \cdot) - \log q_{\boldsymbol{\psi}}(\cdot)
\]
is differentiable in \(\boldsymbol{\psi}\), so the gradient can be computed by ordinary automatic differentiation through the model and the
variational density. This is what makes the reparameterization estimator the workhorse of variational autoencoders and, more broadly, of deep
generative models trained with variational objectives whose latent variables admit a location-scale or related differentiable
parameterization. In the amortized setting of the variational autoencoder the variational parameters
\(\boldsymbol{\psi}_n = f_{\boldsymbol{\phi}}(\boldsymbol{x}_n)\) themselves depend on the data through an inference network, and the
reparameterization map becomes \(g_{\boldsymbol{\phi}}(\boldsymbol{x}, \boldsymbol{\epsilon})\). This is a special case of the present
theorem in which the gradient with respect to the encoder parameters \(\boldsymbol{\phi}\) flows through both the data-dependence of
\(\boldsymbol{\psi}_n\) and the deterministic transform \(g\).
The Score-Function (REINFORCE) Estimator
When \(q_{\boldsymbol{\psi}}\) does not admit a differentiable reparameterization, the reparameterization theorem is unavailable. Examples
include discrete latents and mixture distributions whose component assignment is itself a random variable. Implicit distributions, specified
only by their sampler, lie outside both estimators as developed here, since each needs the log-density \(\log q_{\boldsymbol{\psi}}\). For
the remaining cases one needs an estimator that requires no differentiability in \(\boldsymbol{z}\), only samples from
\(q_{\boldsymbol{\psi}}\) and evaluations of the log-joint, of \(\log q_{\boldsymbol{\psi}}(\boldsymbol{z})\), and of its
\(\boldsymbol{\psi}\)-gradient. The score-function estimator delivers this by exchanging the gradient of an expectation for an expectation of
a different gradient.
Theorem: Score-Function Estimator
Let \(q_{\boldsymbol{\psi}}\) be a family of densities on \(\mathcal{Z}\) and let \(h_{\boldsymbol{\psi}} : \mathcal{Z} \to \mathbb{R}\) be
a family of integrable functions, possibly depending on \(\boldsymbol{\psi}\). Fix a parameter value of interest, and assume that for
almost every \(\boldsymbol{z}\) the maps \(\boldsymbol{\psi} \mapsto q_{\boldsymbol{\psi}}(\boldsymbol{z})\) and
\(\boldsymbol{\psi} \mapsto h_{\boldsymbol{\psi}}(\boldsymbol{z})\) are differentiable at that value. Assume the
common-support hypothesis that the support \(\{\boldsymbol{z} : q_{\boldsymbol{\psi}}(\boldsymbol{z}) \gt 0\}\) does not
depend on \(\boldsymbol{\psi}\) in a neighborhood of the parameter value of interest, and the domination hypothesis that there is an
integrable function \(M(\boldsymbol{z})\) with
\[
\big| h_{\boldsymbol{\psi}}(\boldsymbol{z}) q_{\boldsymbol{\psi}}(\boldsymbol{z})
- h_{\boldsymbol{\psi}'}(\boldsymbol{z}) q_{\boldsymbol{\psi}'}(\boldsymbol{z}) \big|
\leq M(\boldsymbol{z}) \, \|\boldsymbol{\psi} - \boldsymbol{\psi}'\|
\]
for all \(\boldsymbol{\psi}, \boldsymbol{\psi}'\) in that neighborhood. Then
\[
\nabla_{\boldsymbol{\psi}} \, \mathbb{E}_{q_{\boldsymbol{\psi}}(\boldsymbol{z})}\!\left[
h_{\boldsymbol{\psi}}(\boldsymbol{z})
\right]
=
\mathbb{E}_{q_{\boldsymbol{\psi}}(\boldsymbol{z})}\!\left[
\nabla_{\boldsymbol{\psi}} h_{\boldsymbol{\psi}}(\boldsymbol{z})
+
h_{\boldsymbol{\psi}}(\boldsymbol{z}) \, \nabla_{\boldsymbol{\psi}} \log q_{\boldsymbol{\psi}}(\boldsymbol{z})
\right].
\]
In particular, when \(h\) is independent of \(\boldsymbol{\psi}\) the first term vanishes and the identity reduces to
\(\mathbb{E}_{q_{\boldsymbol{\psi}}}[h(\boldsymbol{z}) \nabla_{\boldsymbol{\psi}} \log q_{\boldsymbol{\psi}}(\boldsymbol{z})]\). The
common-support hypothesis is what lets the proof set aside the zero set of \(q_{\boldsymbol{\psi}}\). It fails, together with the
domination hypothesis, in the classical pitfall \(z \sim \mathrm{Uniform}(0, \psi)\) with scalar \(\psi \gt 0\), where the density jumps
as \(\psi\) crosses \(z\) and differentiating the integral produces a Leibniz boundary term that the score identity does not capture.
Proof.
Writing the expectation as an integral and differentiating under the integral sign (justified by
dominated convergence applied to the
difference quotients of \(\boldsymbol{\psi} \mapsto h_{\boldsymbol{\psi}}(\boldsymbol{z}) q_{\boldsymbol{\psi}}(\boldsymbol{z})\),
which converge for almost every \(\boldsymbol{z}\) by the differentiability hypothesis and are bounded by \(M(\boldsymbol{z})\) by
the domination hypothesis),
\[
\nabla_{\boldsymbol{\psi}} \int h_{\boldsymbol{\psi}}(\boldsymbol{z}) q_{\boldsymbol{\psi}}(\boldsymbol{z}) \, d\boldsymbol{z}
= \int \nabla_{\boldsymbol{\psi}}\!\left[ h_{\boldsymbol{\psi}}(\boldsymbol{z}) q_{\boldsymbol{\psi}}(\boldsymbol{z}) \right] d\boldsymbol{z}.
\]
Apply the product rule and the elementary log-derivative identity
\[
\nabla_{\boldsymbol{\psi}} q_{\boldsymbol{\psi}}(\boldsymbol{z})
= q_{\boldsymbol{\psi}}(\boldsymbol{z}) \, \nabla_{\boldsymbol{\psi}} \log q_{\boldsymbol{\psi}}(\boldsymbol{z}),
\]
valid wherever \(q_{\boldsymbol{\psi}}(\boldsymbol{z}) \gt 0\):
\[
\nabla_{\boldsymbol{\psi}}[h_{\boldsymbol{\psi}}(\boldsymbol{z}) q_{\boldsymbol{\psi}}(\boldsymbol{z})]
=
\nabla_{\boldsymbol{\psi}} h_{\boldsymbol{\psi}}(\boldsymbol{z}) \cdot q_{\boldsymbol{\psi}}(\boldsymbol{z})
+
h_{\boldsymbol{\psi}}(\boldsymbol{z}) \cdot q_{\boldsymbol{\psi}}(\boldsymbol{z}) \, \nabla_{\boldsymbol{\psi}} \log q_{\boldsymbol{\psi}}(\boldsymbol{z}).
\]
Both factors are differentiable at the parameter value for almost every \(\boldsymbol{z}\) by hypothesis, so the product rule
applies there. Off the common support the product vanishes for every \(\boldsymbol{\psi}\) near
the parameter value of interest, so its gradient is zero there and only \(\{q_{\boldsymbol{\psi}} \gt 0\}\) contributes to the
integral. Integrating against \(d\boldsymbol{z}\) and recognizing both terms as expectations under \(q_{\boldsymbol{\psi}}\)
gives the claim.
The quantity \(\nabla_{\boldsymbol{\psi}} \log q_{\boldsymbol{\psi}}(\boldsymbol{z})\) is the score function of the
variational distribution at \(\boldsymbol{z}\). Monte Carlo sampling of the right-hand side, drawing
\(\boldsymbol{z}^{(k)} \sim q_{\boldsymbol{\psi}}\) and averaging the bracketed integrand, gives the score-function or REINFORCE
estimator. It is the same construction that appears in policy-gradient reinforcement learning under the policy \(q_{\boldsymbol{\psi}}\)
and reward \(h\).
Applied to the ELBO with
\[
h_{\boldsymbol{\psi}}(\boldsymbol{z})
= \log p_{\boldsymbol{\theta}}(\boldsymbol{x}, \boldsymbol{z}) - \log q_{\boldsymbol{\psi}}(\boldsymbol{z}),
\]
the theorem gives, whenever its hypotheses hold for this choice of \(h_{\boldsymbol{\psi}}\),
\[
\nabla_{\boldsymbol{\psi}} \mathcal{L}
=
\mathbb{E}_{q_{\boldsymbol{\psi}}(\boldsymbol{z})}\!\left[
\nabla_{\boldsymbol{\psi}} h_{\boldsymbol{\psi}}(\boldsymbol{z})
+
h_{\boldsymbol{\psi}}(\boldsymbol{z}) \, \nabla_{\boldsymbol{\psi}} \log q_{\boldsymbol{\psi}}(\boldsymbol{z})
\right].
\]
The first term simplifies. Since
\[
\nabla_{\boldsymbol{\psi}} h_{\boldsymbol{\psi}}(\boldsymbol{z})
= -\nabla_{\boldsymbol{\psi}} \log q_{\boldsymbol{\psi}}(\boldsymbol{z})
\]
(only the \(\log q_{\boldsymbol{\psi}}\) term in \(h_{\boldsymbol{\psi}}\) carries \(\boldsymbol{\psi}\)-dependence), and the
score has zero mean under its own distribution,
\[
\mathbb{E}_{q_{\boldsymbol{\psi}}}[\nabla_{\boldsymbol{\psi}} \log q_{\boldsymbol{\psi}}] = 0
\]
(the theorem applied with \(h \equiv 1\), whose domination hypothesis asks for \(q_{\boldsymbol{\psi}}(\boldsymbol{z})\) to be
Lipschitz in \(\boldsymbol{\psi}\) near the parameter value with an integrable constant), the first term contributes zero. The ELBO
gradient is therefore
\[
\nabla_{\boldsymbol{\psi}} \mathcal{L}
=
\mathbb{E}_{q_{\boldsymbol{\psi}}(\boldsymbol{z})}\!\left[
\big( \log p_{\boldsymbol{\theta}}(\boldsymbol{x}, \boldsymbol{z}) - \log q_{\boldsymbol{\psi}}(\boldsymbol{z}) \big)
\nabla_{\boldsymbol{\psi}} \log q_{\boldsymbol{\psi}}(\boldsymbol{z})
\right],
\]
and the score-function estimator of the ELBO gradient is the Monte Carlo average of this expression over samples drawn from
\(q_{\boldsymbol{\psi}}\). Crucially, this formula requires only that we can sample from \(q_{\boldsymbol{\psi}}\), evaluate the
log-joint, and evaluate the log-density of \(q_{\boldsymbol{\psi}}\) and its score. Neither \(q_{\boldsymbol{\psi}}\) nor the
integrand needs to be differentiable in \(\boldsymbol{z}\), which is exactly the regime where reparameterization fails.
Bias, Variance, and the Choice of Estimator
As noted at the start of this section, both estimators are unbiased whenever the hypotheses of their theorems hold, with expectation equal to
the exact ELBO gradient. They differ sharply in variance, and this difference dictates the choice in practice.
The reparameterization estimator typically achieves low variance, when the integrand is smooth with moderate derivatives, because the
\(\boldsymbol{\psi}\)-dependence has been pushed into a single deterministic transform \(g_{\boldsymbol{\psi}}\), and the gradient is taken
pathwise. Each Monte Carlo sample evaluates the derivative of a smooth composition, and no factor of the score
\(\nabla_{\boldsymbol{\psi}} \log q_{\boldsymbol{\psi}}\) multiplies the integrand, which is the main source of variance in the
score-function estimator. For Gaussian \(q_{\boldsymbol{\psi}}\) and smooth log-joint \(\log p_{\boldsymbol{\theta}}\), estimates from one
or two samples per gradient step are typically sufficient to drive stochastic gradient optimization to convergence, and standard variational
autoencoder training relies on this.
The score-function estimator, by contrast, suffers from variance that scales with the magnitude of \(h(\boldsymbol{z})\), which the control
variates below can reduce toward the scale of \(h(\boldsymbol{z}) - \mathbb{E}_{q_{\boldsymbol{\psi}}}[h]\), and with the variance of the
score function itself. In high-dimensional latent spaces, or when the integrand has wide range, single-sample estimates can have variance
orders of magnitude larger than the reparameterization counterpart. Both situations are common in modern probabilistic models.
The standard remedy is variance reduction by control variates. We replace each component
\[
\tilde{g}_i(\boldsymbol{z}) = h(\boldsymbol{z}) \, \partial_{\psi_i} \log q_{\boldsymbol{\psi}}(\boldsymbol{z})
\]
of the naive estimator by
\[
\tilde{g}_i^{\mathrm{cv}}(\boldsymbol{z})
=
\tilde{g}_i(\boldsymbol{z}) - c_i \, b_i(\boldsymbol{z}),
\]
where \(b_i(\boldsymbol{z})\) is a baseline with
\[
\mathbb{E}_{q_{\boldsymbol{\psi}}}[b_i(\boldsymbol{z})] = 0
\]
and \(c_i \in \mathbb{R}\) is a coefficient to be chosen. The zero-mean condition guarantees that the modified estimator remains unbiased. A
natural baseline is
\[
b_i(\boldsymbol{z}) = \partial_{\psi_i} \log q_{\boldsymbol{\psi}}(\boldsymbol{z})
\]
itself, which is zero-mean by the same identity that simplified the ELBO gradient derivation.
The coefficient \(c_i\) is then chosen to minimize the variance of \(\tilde{g}_i^{\mathrm{cv}}\). Since
\[
\operatorname{Var}(\tilde{g}_i - c_i b_i)
= \operatorname{Var}(\tilde{g}_i) - 2 c_i \operatorname{Cov}(\tilde{g}_i, b_i) + c_i^2 \operatorname{Var}(b_i)
\]
is a quadratic in \(c_i\), for \(\operatorname{Var}(b_i) \gt 0\) the optimum is
\[
c_i^*
=
\frac{\operatorname{Cov}(\tilde{g}_i(\boldsymbol{z}), \, b_i(\boldsymbol{z}))}{\operatorname{Var}(b_i(\boldsymbol{z}))},
\]
which can be estimated from earlier iterations or from a separate batch of samples, so that the coefficient does not depend on the samples
it multiplies. Choosing \(b_i\) and \(c_i^*\) in this way can reduce variance by orders of magnitude while preserving unbiasedness. A
further refinement, common in policy-gradient reinforcement learning, subtracts from \(h\) a learned scalar \(b(\boldsymbol{x})\) that
depends on the observation but not on the sampled \(\boldsymbol{z}\) (a function of the state rather than of the action). This amounts to
the control variate \(b(\boldsymbol{x}) \, \partial_{\psi_i} \log q_{\boldsymbol{\psi}}(\boldsymbol{z})\), which has zero mean because the
score does. Effective control variates are an extensive research topic that we do not pursue further here.
The choice of estimator is therefore largely dictated by the structure of \(q_{\boldsymbol{\psi}}\). When a reparameterization is available,
it is usually preferred. The literature on "black-box" variational inference, in which the score-function estimator is paired with control
variates and applied to models for which no reparameterization is known, was developed to extend the variational program to models without
model-specific derivations, including the discrete and combinatorial models that the reparameterization cannot reach. The two estimators
cover complementary regimes, and a practitioner whose model contains both reparameterizable and non-reparameterizable latents can apply each
estimator to the appropriate component.
Coordinate Ascent Variational Inference
The gradient-based estimators of the previous section operate within a fixed-form variational family. The practitioner
chooses a parametric distribution \(q_{\boldsymbol{\psi}}\), such as a Gaussian, a Gaussian mixture, or a normalizing-flow-induced density,
and optimizes its parameters by stochastic gradient ascent on Monte Carlo estimates of \(\nabla_{\boldsymbol{\psi}} \mathcal{L}\). The
present section develops a complementary approach in which the variational family is the mean-field family
\(q(\boldsymbol{z}) = \prod_{j=1}^{J} q_j(z_j)\) introduced in the earlier discussion of the variational family, with
\(z_j\) now denoting the \(j\)-th block, and the functional form of each factor \(q_j\) is not chosen in advance but emerges from
the optimization itself. This is sometimes called free-form variational inference, in contrast to the fixed-form setting of
the previous section.
The free-form approach exchanges flexibility in the variational family for flexibility in the functional form of each factor. Under
the mean-field assumption, the ELBO admits an explicit decomposition that makes coordinate-wise optimization tractable. With each
\(q_j\) treated as the variational degree of freedom (rather than a finite-dimensional parameter \(\boldsymbol{\psi}_j\)), the
optimal form of \(q_j^*\) holding the other factors fixed is determined by the model's log-joint via a closed-form expression.
Cycling through the factors and updating each in turn yields the coordinate ascent variational inference (CAVI)
algorithm. It is one of the most classical and historically important variational algorithms, and it remains the standard algorithm
for mean-field VI in conjugate-exponential-family models.
The Mean-Field ELBO and the Coordinate Update
Substituting the mean-field factorization \(q(\boldsymbol{z}) = \prod_j q_j(z_j)\) into the ELBO and using
\(\log q(\boldsymbol{z}) = \sum_j \log q_j(z_j)\) and the fact that each factor integrates to one, the ELBO decomposes as
\[
\mathcal{L}(q) = \int q(\boldsymbol{z}) \log p_{\boldsymbol{\theta}}(\boldsymbol{x}, \boldsymbol{z}) \, d\boldsymbol{z} + \sum_{j=1}^{J} \mathbb{H}(q_j),
\]
where \(\mathbb{H}(q_j) = -\int q_j(z_j) \log q_j(z_j) \, dz_j\) is the (differential) entropy of the \(j\)-th factor. The first term is the
expected log-joint under the factorized \(q\). The second is a sum of entropies that decouples completely across factors. This decomposition
is what makes coordinate-wise optimization feasible. Holding all factors except \(q_j\) fixed, we find the dependence of the ELBO on \(q_j\)
isolated to the \(j\)-th term of the entropy sum and to the contribution of \(q_j\) to the expectation in the first term.
The optimal coordinate update is given by the following theorem, the central result of mean-field variational inference.
Theorem: Optimal Mean-Field Update (CAVI)
Let \(q(\boldsymbol{z}) = \prod_{j=1}^{J} q_j(z_j)\) be a mean-field variational distribution, and fix all factors
\(\{q_i\}_{i \neq j}\), each with finite entropy. Assume that the expected log-joint
\[
\mathbb{E}_{q_{-j}}[\log p_{\boldsymbol{\theta}}(\boldsymbol{x}, \boldsymbol{z})]
\]
is a measurable function of \(z_j\) taking values in \([-\infty, \infty)\), where
\(q_{-j}(\boldsymbol{z}_{-j}) = \prod_{i \neq j} q_i(z_i)\), and the value \(-\infty\) is permitted on the set where the prior or
likelihood vanishes, and that the normalizing integral
\[
\int \exp\!\big( \mathbb{E}_{q_{-j}}[\log p_{\boldsymbol{\theta}}(\boldsymbol{x}, \boldsymbol{z})] \big) \, dz_j
\]
is finite and positive, with the convention \(\exp(-\infty) = 0\). Then the ELBO, viewed as a functional of \(q_j\) with the other
factors held fixed, is maximized, uniquely up to almost-everywhere equality, by
\[
q_j^*(z_j) \propto \exp\!\Big( \mathbb{E}_{q_{-j}}\!\big[\log p_{\boldsymbol{\theta}}(\boldsymbol{x}, \boldsymbol{z})\big] \Big).
\]
Equivalently,
\[
\log q_j^*(z_j) = \mathbb{E}_{q_{-j}}[\log p_{\boldsymbol{\theta}}(\boldsymbol{x}, \boldsymbol{z})] + \mathrm{const}
\]
on the set where the right-hand side is finite, and \(q_j^*(z_j) = 0\) elsewhere. The constant ensures normalization. The
flexibility to take the value \(-\infty\) on a set of positive measure is essential for models with bounded-support priors, such as
Beta, Dirichlet, and truncated families, where the log-joint is genuinely \(-\infty\) outside the prior support and \(q_j^*\)
inherits that support automatically.
Proof.
Define
\[
g_j(z_j) := \mathbb{E}_{q_{-j}}[\log p_{\boldsymbol{\theta}}(\boldsymbol{x}, \boldsymbol{z})]
\]
and let \(\tilde{f}_j(z_j) := \exp(g_j(z_j))\). The hypothesis on the normalizing integral ensures that the normalized density
\(f_j(z_j) := \tilde{f}_j(z_j) / \int \tilde{f}_j(z_j') \, dz_j'\) is well-defined. Isolating the dependence of the ELBO on \(q_j\),
\[
\mathcal{L}(q) = \int q_j(z_j) \, g_j(z_j) \, dz_j - \int q_j(z_j) \log q_j(z_j) \, dz_j + C,
\]
where \(C = \sum_{i \neq j} \mathbb{H}(q_i)\) collects the entropies of the other factors, finite by hypothesis, the expected log-joint
having been written entirely as \(\int q_j g_j \, dz_j\) by integrating over \(\boldsymbol{z}_{-j}\) first. Substitute
\(g_j(z_j) = \log f_j(z_j) + \log Z_j\), where \(Z_j = \int \tilde{f}_j(z_j') \, dz_j'\) is the (constant) normalizer. The \(\log Z_j\)
term joins \(C\) in a new constant \(C' = C + \log Z_j\), and the remaining \(q_j\)-dependent terms reorganize as
\[
\begin{align*}
\mathcal{L}(q)
&= \int q_j(z_j) \big[ \log f_j(z_j) - \log q_j(z_j) \big] \, dz_j + C' \\\\
&= -D_{\mathrm{KL}}(q_j \,\|\, f_j) + C'.
\end{align*}
\]
By Gibbs' inequality in its density form,
\(D_{\mathrm{KL}}(q_j \,\|\, f_j) \geq 0\) with equality if and only if \(q_j = f_j\) almost everywhere. Therefore the ELBO is maximized
over choices of \(q_j\) precisely when \(q_j = f_j\) almost everywhere, which is the claimed expression.
Two structural features of this update deserve emphasis. First, the optimal \(q_j^*\) depends on the other factors \(q_{-j}\)
only through the expected log-joint. In graphical-model language, the dependence is mediated entirely by the
Markov blanket of node \(j\), since
\[
\log p_{\boldsymbol{\theta}}(\boldsymbol{x}, \boldsymbol{z})
= \log p_{\boldsymbol{\theta}}(z_j \mid \boldsymbol{x}, \boldsymbol{z}_{-j})
+ \log p_{\boldsymbol{\theta}}(\boldsymbol{x}, \boldsymbol{z}_{-j}),
\]
where the first term depends on the other latents only through that blanket and the second is constant in \(z_j\) and drops out
of the proportionality.
Second, the functional form of \(q_j^*\) is dictated by the model's log-joint. When each complete conditional
\(p_{\boldsymbol{\theta}}(z_j \mid \boldsymbol{x}, \boldsymbol{z}_{-j})\) is a member of an exponential family, as in models with conjugate
prior structure, the expectation \(\mathbb{E}_{q_{-j}}[\log p]\), as a function of \(z_j\), is a linear function of the sufficient
statistics of \(z_j\) plus the log base measure and a constant, and \(q_j^*\) inherits the same exponential-family form as the corresponding
conditional. This is the source of the closed-form update equations that make CAVI practical. In effect, the model rather than the
practitioner dictates the variational family.
The CAVI Algorithm
The optimal-update theorem yields an iterative algorithm. We initialize the factors \(\{q_j\}\) arbitrarily, cycle through
\(j = 1, \ldots, J\), updating each \(q_j\) to its optimal form given the current values of the other factors, and repeat until convergence.
As long as the hypotheses of the theorem hold at each update, each individual update increases the ELBO (or leaves it unchanged at a fixed
point), so the sequence of ELBO values is monotonically non-decreasing. Provided the initial ELBO is finite, the sequence converges to a
finite limit, since the ELBO is bounded above by the log-evidence.
We emphasize that this is convergence of the objective values, not of the iterates themselves. Monotone boundedness of
\(\mathcal{L}(q^{(t)})\) does not by itself guarantee that the factors \((q_1^{(t)}, \ldots, q_J^{(t)})\) converge in the space of
distributions. Convergence of the iterates to a stationary point requires additional regularity conditions, such as compactness of the
variational parameter space, continuity of the update map, or the standard hypotheses for block coordinate ascent. They are not automatic,
even for the conjugate-exponential models on which CAVI is typically run. In practice the iterates are observed to settle at a local optimum
that depends on the initialization, since the ELBO is concave with respect to each \(q_j\) individually but generally non-concave jointly.
Algorithmically, after \(T\) sweeps:
Algorithm: COORDINATE_ASCENT_VI (CAVI)
Input: joint density \(p_{\boldsymbol{\theta}}(\boldsymbol{x}, \boldsymbol{z})\), number of factors \(J\), number of sweeps \(T\);
Output: mean-field factors \(\{q_j\}_{j=1}^{J}\) with \(q(\boldsymbol{z}) = \prod_j q_j(z_j)\);
begin
Initialize \(q_1, \ldots, q_J\) (arbitrary distributions on the respective coordinates);
for \(t = 1, \ldots, T\) do
for \(j = 1, \ldots, J\) do
\(g_j(z_j) \leftarrow \mathbb{E}_{q_{-j}}\!\left[\log p_{\boldsymbol{\theta}}(\boldsymbol{x}, \boldsymbol{z})\right]\);
\(q_j(z_j) \leftarrow \exp(g_j(z_j)) \,/\, \int \exp(g_j(z_j')) \, dz_j'\);
end
end
Output \(\{q_1, \ldots, q_J\}\);
end
The expectation in the inner loop is, in conjugate-exponential models, available in closed form as a function of the parameters of the other
factors \(q_{-j}\). The update therefore reduces to a finite-dimensional parameter update on each iteration, and the apparent functional
optimization collapses to ordinary numerical computation. In non-conjugate models the expectation is typically intractable and CAVI is
replaced by gradient-based methods of the previous section, or by hybrid schemes that Monte-Carlo-estimate the inner expectation while
preserving the coordinate ascent structure of the outer loop.
Bayesian Gaussian Mixture Models and Automatic Sparsity
The canonical application of CAVI is Bayesian inference in conjugate latent-variable models, of which the Bayesian Gaussian mixture model is
the most pedagogically important example. With a Dirichlet prior on the mixing weights, conjugate Normal-Wishart priors on the component
parameters, and the standard latent cluster-assignment variables, the mean-field factorization
\[
q(\boldsymbol{\pi}, \boldsymbol{\mu}, \boldsymbol{\Lambda}, z_{1:N})
= q(\boldsymbol{\pi}, \boldsymbol{\mu}, \boldsymbol{\Lambda}) \prod_{n=1}^{N} q_n(z_n)
\]
treats the mixing weights \(\boldsymbol{\pi}\) and the component parameters \((\boldsymbol{\mu}_k, \boldsymbol{\Lambda}_k)\) as latent
variables, part of \(\boldsymbol{z}\) in the notation of this page, rather than as fixed model parameters. It yields CAVI updates in which
the factor over \((\boldsymbol{\pi}, \boldsymbol{\mu}, \boldsymbol{\Lambda})\) splits further and every factor's optimal form is itself a
tractable member of the exponential family: Categorical for the cluster-assignment factors \(q_n(z_n)\), Dirichlet for the mixing-weight
factor \(q(\boldsymbol{\pi})\), and Normal-Wishart for the component-parameter factors \(q(\boldsymbol{\mu}_k, \boldsymbol{\Lambda}_k)\). The
update equations involve expected sufficient statistics under the other factors. We do not derive them on this page and instead highlight a
single emergent phenomenon that is characteristic of the Bayesian treatment of the mixing weights.
Insight: Automatic Model Selection via Posterior Pruning
When the Dirichlet prior on the mixing weights is sufficiently sparse, that is, when the concentration parameter \(\alpha_0\) is small,
the CAVI updates for the Bayesian Gaussian mixture exhibit an "automatic sparsity" effect. Clusters with few or no assigned data points
have their effective Dirichlet count \(\alpha_k = \alpha_0 + N_k\), with \(N_k\) the expected number of points assigned to cluster \(k\),
reduced toward the small prior value \(\alpha_0\), and the \(q_n(z_n)\) factors place ever less probability on those clusters. The model
"kills off" unneeded components autonomously, and the number of effectively active clusters at convergence is largely determined by the
data and by \(\alpha_0\) rather than fixed in advance.
Mathematically, the effect arises from the digamma function (denoted \(\psi_{\mathrm{dig}}\) here to avoid a clash with the variational
parameters \(\boldsymbol{\psi}\)), which appears in the variational expectation of \(\log \pi_k\) under the Dirichlet factor. This
expectation is \(\psi_{\mathrm{dig}}(\alpha_k) - \psi_{\mathrm{dig}}(\sum_l \alpha_l)\), so the factors \(q_n(z_n)\) weight cluster \(k\)
in proportion to \(\exp(\psi_{\mathrm{dig}}(\alpha_k))\) rather than to \(\alpha_k\) itself, and
\(\exp(\psi_{\mathrm{dig}}(\alpha_k)) \lt \alpha_k\) for every \(\alpha_k \gt 0\). The weight behaves like \(\alpha_k - \tfrac{1}{2}\)
for large \(\alpha_k\) and tends to zero as \(\alpha_k \to 0\), so components with a small effective count are down-weighted
disproportionately, a soft-thresholding behavior reminiscent of \(\ell_1\)-regularization.
A related phenomenon appears in modern deep generative models, where it is known as posterior collapse. A sufficiently
expressive decoder can render the latent variable uninformative for reconstruction, at which point the variational posterior collapses to
the prior and the latent dimension is effectively pruned. Both reflect the pull that the KL term of the ELBO exerts toward the prior,
although the mechanisms differ in detail.
Limitations of Mean-Field Inference
The mean-field assumption is structurally restrictive in a way that cannot be remedied by clever choice of factor functional form. The family
\(q(\boldsymbol{z}) = \prod_j q_j(z_j)\) is, by construction, incapable of representing posterior dependence between latent variables. When
the true posterior \(p_{\boldsymbol{\theta}}(\boldsymbol{z} \mid \boldsymbol{x})\) exhibits strong correlation between the \(z_j\),
mean-field VI returns an approximation whose marginal variances typically underestimate the true posterior uncertainty. Such
correlation is common, since the data couples the latents. The direction of the KL divergence, combined with the factorization, is
responsible. Minimizing \(D_{\mathrm{KL}}(q \,\|\, p(\cdot \mid \boldsymbol{x}))\) penalizes configurations where \(q\) places mass in
regions of low posterior probability much more strongly than configurations where \(q\) misses regions of high posterior probability, which
produces the well-documented mode-seeking, variance-shrinking behavior of mean-field approximations.
These limitations motivate several directions of research. Structured mean-field approximations retain dependencies between
blocks of latent variables and recover much of the correlation structure that fully-factorized mean-field discards. A hidden Markov sequence,
for instance, can be treated as a single block while sequences are assumed independent. Richer fixed-form families for use
with the gradient-based methods of the previous section include Gaussians with full or low-rank-plus-diagonal covariance, Gaussian mixtures,
and the family of normalizing flows, in which a sequence of Jacobian-tractable diffeomorphisms transforms a simple base
distribution into a highly expressive variational posterior.
Tighter bounds than the ELBO are available when one is willing to draw multiple samples per gradient step. The
importance-weighted autoencoder bound (IWAE) and its descendants exploit \(K\)-sample importance averaging to reduce the gap to the
log-evidence. Expectation propagation works with the reverse direction
\(D_{\mathrm{KL}}(p(\cdot \mid \boldsymbol{x}) \,\|\, q)\), which it minimizes locally, one approximating factor at a time, rather than
globally, exchanging the mode-seeking behavior of standard VI for a moment-matching, mass-covering behavior at the cost of a more delicate
algorithmic implementation. We do not develop these directions here, since each is a substantial research area in its own right.
The broader role of variational inference in the contemporary toolkit is best understood by contrast with the alternatives. Markov chain
Monte Carlo, treated on the Monte Carlo page, produces samples whose distribution converges to the true
posterior, under suitable conditions on the chain, in the limit of infinite computation. It sacrifices exactness in finite time and pays in
autocorrelated samples and slow mixing on multimodal posteriors. Variational inference, conversely, returns an approximation, typically much
faster to compute, whose quality is bounded by the expressiveness of the variational family rather than by sampling diagnostics. Its price is
asymptotic exactness, which it trades for tractability on problems where MCMC is prohibitive. The two are complementary tools, not
competitors, and a working Bayesian practitioner draws on both.
Among gradient-based methods, the variational autoencoder page builds on the
reparameterization trick and develops
the amortized, deep-network specialization that is central to much of modern deep generative modeling, and the
natural gradient page develops the geometry of parameter space that
underlies many advanced variational optimizers. The variational foundation laid on this page, namely the ELBO, its KL decomposition, and the
gradient and coordinate-ascent algorithms that operate on it, remains the structural backbone underneath these specializations.