Performance of Bayesian linear regression in a model with mismatch
Jean Barbier, Wei-Kuo Chen, Dmitry Panchenko, Manuel Sáenz
Introduction and set-up
Linear regression with random covariates in the high-dimensional regime, where both the number of data points and their dimension scale proportionally, is a paradigmatic problem for modern inference. It has been studied mostly from two complementary perspectives: In Bayesian statistics where, due to important simplifications that occur in this setting, analyses have focused on the case of the estimator obtained as the expectation of the “true” posterior distribution of the regression coefficients . This is usually referred to as the Bayesian-optimal estimator. But also on sparse Bayesian regression, see and the section below on related works. Another large body of literature has studied instead the performance of optimization procedures in the context of robust statistics and M-estimation, where an estimator is obtained as the mode of a log-concave posterior measure or, equivalently, as the minimizer of a convex cost function .
Our work focuses on Bayesian inference outside the optimal setting, for which much less is known. The lack of perfect knowledge of the model generating the data forces one to make certain inaccurate prior assumptions on the distribution of the regression coefficients as well as on the form of the model. This is, in a sense, more realistic and of practical interest. One natural setting for this, is to consider Bayesian linear regression with some sources of mismatch. Due to the lack of certain simplifying symmetries inherent to the optimal setting of inference, known as the “Nishimori identities” in physics , even a small mismatch can result in several theoretical challenges.
In the present work, we aim to study a mismatched linear regression model which is as follows. Let be an unknown ground-truth of regression coefficients. Assume that
for some deterministic and fixed independent of . Let be a fixed parameter and let To be more precise, we might take . But tracking this correction makes no difference.; is the usual norm. Consider a matrix with i.i.d. standard normal entries. The columns in are understood as random covariate vectors, while the rows correspond to independent samples. The responses are obtained according to the linear model
for where and the variables for some which gives the strength of the noise; is the normal law of mean and variance . Here we will consider the regression task of recovering from the data with two sources of mismatch:
The distribution of is assumed to be unknown. Thus, we take the prior to be that of a gaussian vector with independent coordinates of mean and variance .
Under these sources of mismatch, the Bayesian posterior distribution is given by
2 Main results and contributions
Our main contributions are establishing the asymptotics of the log-normalizing constant and the performance of estimator (4). Informally, we prove that, whenever the four-dimensional system (17)–(20) presented below admits a unique solution, the log-normalizing constant converges to some non-random quantity , that is
and the mean-square error converges to some non-random quantity , that is
Here is the unique critical point of the real-valued function with domain over the set defined in (21) below.
There are two major findings that follow from our results. First of all, somewhat surprisingly (5) implies that the performance of the Bayesian estimator with gaussian prior is insensitive to the statistical properties of the coefficients other than its empirical second moment. The second major finding regards our main running example for our results which will play a special role given its tractability in the analysis and its importance in statistics. This example will correspond to the model where the function is of the form for some . Notice that this model is still mismatched since is not necessarily equal to the appearing in the model generating the data. When we convert the posterior distribution into a Gibbs measure parametrized by the inverse temperature we discover that, for quadratic , the mean-square error is independent of the inverse temperature in the high-dimensional limit. This means that when the performance is evaluated using a square loss, Bayesian regression with gaussian prior and ridge regression have the same performance. In other words, sampling and optimizing are equivalent in this setting. One may argue that the closedness between the mean and the mode of the posterior distribution with gaussian prior is mainly due to the isotropy of the covariates. This intuition makes perfect sense in the classical regime, where a lot of data is accessible when maximum likelihood estimation is optimal . But in the high-dimensional regime where both and are large and comparable, this feature becomes much less evident. To the best of our knowledge, this fact was not rigorously obtained prior to our work. Exploring the generality of this equivalence between optimization and sampling procedures is an interesting open direction for future research. See for related connections between M-estimation and Bayesian inference from statistical mechanics heuristics.
The approach in this paper relies primarily on a connection between our regression task and a generalized version of the Shcherbina-Tirozzi (ST) mean-field spin glass model . We study the limits of the corresponding log-partition function and some critical quantities called the overlaps. By utilizing the so-called smart path method, analogous results were intensively explored by Talagrand assuming that grows at most linearly. Whereas the machinery therein relies on quite heavy analysis, the advantage of our approach is methodological. In addition to being able to relax the growth condition for from linear to quadratic, our analysis is also rather simple and self-contained. It is based on methods coming from the mathematical physics of mean-field spin glasses: mainly a rigorous version of the cavity method also called the leave-one-out method in statistics (see Sections 5 and 6 for details). We expect for the simplicity of our approach to allow us to extend the analysis to generalized linear models in mismatched settings, for which results similar to the present ones exist only in the Bayesian-optimal setting of inference . This is left for future work.
3 Related works
In recent years, many works on mismatched regression have appeared: on non-rigorous statistical mechanics techniques such as the replica method like, e.g., in ; on the analysis of approximate message-passing algorithms, like in ; and on Gordon’s convex min-max theorem . All these approaches strongly rely on the fact that the estimator is obtained as a unique minimizer of a convex function and therefore do not generalize easily to mismatched Bayesian settings. The leave-one-out method was also used in but, like in the aforementioned references, only for the analysis of (non-Bayesian) M-estimators.
Complementary to our setup is a recent work on the mismatched Bayesian linear regression that derives conditions under which the “naive mean-field approximation” to the log-partition function is valid, and provides an infinite-dimensional variational formula for it (see for a related setting). Last but not least, Bayesian linear regression has also been considered in some different high-dimensional scaling regimes than the one presented here: in settings with sparse ground-truth vectors of regression coefficients with a possibly vanishing fraction of non-zero entries. Reference studies in detail the properties of the posterior distribution with sparsity inducing priors in this case, see also for related prior works on sparse linear regression. It has recently been understood that in the very sparse regime, and with the number of sampled responses much smaller than the covariates’ dimension, intriguing “all-or-nothing” phase transitions occur where the recovery error jumps from almost zero to its maximum value at a certain threshold . For a recent review on the Bayesian approach to high-dimensional inference, see .
4 Organization
The paper is organized as follows. In Section 2, we explain the link between the high-dimensional regression problem presented here and the ST spin glass model. In Section 3, we first state two results on the main quantities of interest in spin glass models, namely, the free energy (i.e., log-partition function) and overlaps (that will later be related to the mean-square error) in the ST model. We then state our main results on the regression task with a particular emphasis on the classical example of the Bayesian regression with quadratic loss and gaussian prior. Sections 4–6 are devoted to establishing results concerning the ST model. More explicitly, Section 4 establishes a number of concentration properties for the overlaps and free energy. Section 5 shows how to obtain certain fixed-point equations for the “order parameters” of the model based on the concentration results in Section 4 by utilizing the cavity method and simple gaussian integration by parts. Section 6 proves a closed-form expression for the limiting log-partition function of the posterior in a straightforward manner thanks to the convergence results for the order parameters. Finally, our results on the regression task are established in Section 7.
Connection to the Shcherbina-Tirozzi model
and the corresponding log-partition function, also called free energy, by
In the terminology of the large deviation theory , it is the scaled cumulant log-moment generating function associated with the energy per variable . When and grows at most linearly, the Hamiltonian is known as the original ST model extensively studied in . In the setting of the present paper, we allow to grow quadratically (see Assumption 1 below for details).
Two key quantities for our analysis will be the overlaps between replicas defined according to
Additionally, we also define a pair of “conjugate overlaps” in terms of the following two auxiliary quantities
As one shall see, the vector of overlaps order parameters is the “correct” one, in the sense that all the statistical analysis can be asymptotically expressed solely in terms of the limits of these quantities and the model at the “macroscopic level” is completely determined by them.
In view of our regression task, the posterior measure (3) can be thought of as a Gibbs measure of the spin glass model with Hamiltonian
As in the ST model, we define the free energy by
In particular, from (4), we readily see that the Bayesian estimator
The connection between the ST and our models relies on a number of change of variables. First of all, by letting , we may write
To simplify this integral, take an orthogonal matrix such that . Note that conditionally on ,
which implies that conditionally on . Note also that and From these and using the change of variable ,
which implies, from the rotational invariance of mentioned above and the symmetry of that
for If now we randomize in the Hamiltonian (6) of the ST model independently of all other randomness, then we readily get
Consequently, to understand our regression problem, we may study the limiting free energy and overlaps corresponding to the generalized ST model first. This characterization is part of our main results and is stated in the next section.
Main results
The first part of our main results consists of an expression for the limiting free energy and the convergence of the overlaps in the generalized ST model defined in (6). Throughout the rest of this paper, the following assumption on the function is in force.
The function is concave, non-positive, and there exists a constant such that
The concavity of is conceptually an important assumption, which ensures that our posterior distribution is a log-concave measure and, as a result, the overlaps are concentrated under the Gibbs measure . While the other assumptions are purely technical, overall they weaken the settings considered in . In particular, in this reference is allowed to grow at most linearly and thus its results do not apply to our main example, namely, a quadratic .
for and , where are independent random variables with normal law . If we let , basic gaussian integration by parts with respect to and implies that the critical points of the function must satisfy the following system of equations:
Observe that if satisfies (17)–(20), then and match each other as can be seen by rewriting (17) and (18) as
and plugging these into the second line in (16) after writing . Here, if we express in terms of in (19)–(20), the pair is also a critical point of . Our first main result states that the limiting free energy in the ST model is equal to as long as (17)–(20) have a unique solution.
The next result establishes the convergence of the overlaps (9) and (11).
From these and with the help of the identities (14) and (15), we can now compute the limiting free energy and the mean-square error associated to our regression task.
Assume the convergence (1) for the norm of the ground-truth coefficients towards some deterministic . For , , and , if (17)–(20) have a unique solution , then
Let where is not necessarily equal to the true gaussian noise variance Obviously satisfies Assumption 1. More importantly, it can be checked that (17)–(20) have a unique solution given by
To see this, note that (19) and (20) can be written as
Take and . From the difference between (17) and (18) and that of (19) and (20), we arrive at
from which we can eliminate to get a single equation for ,
It is easy to see that the only non-negative solution to this equation is and thus, Finally, using these values of and and the second equation of (25) leads to
Note that is positive since (26) implies that and , which ensures that . From this , can then be uniquely determined through the second to the fourth equations in (24).
Surprisingly, if we parametrize the posterior distribution by an “inverse temperature” hyperparameter , namely, the original Gibbs measure in (12) becomes
meaning that and are replaced by and in the original model, then the resulting constant , i.e., the mean-square error, remains the same as the original for any inverse temperature . This can be easily seen from the above equations (for quadratic ). At the same time, formula (27) matches the one for ridge regression at zero temperature (see, e.g., equation (26) in ). This non-trivial fact is due to the rotational invariance of the model following from the isotropy of the covariates. But as mentioned already in the introduction, this is not a priori evident in the high-dimensional regime we consider here, where and are comparable. It would be interesting to explore in future research for which settings posterior mean and mode (i.e., sampling and optimizing) yield the same reconstruction performance.
Concentration
The last assumption (G-3) will be used in an equivalent form,
Also, the assumptions (29), (30) may look redundant given (31), but we state them for convenience.
We will later specialize these assumptions for the following two specific choices:
For : and ,
For : and .
One can easily see that Assumption 1 on implies (G-1)–(G-3) in both cases, by possibly increasing the value of .
for functions and verifying assumptions (G-1)–(G-3). Define the (non-averaged) free energy associated to by
Note that assumptions (28), (29), and (32) as well as ensure that this quantity is a.s. finite in and Denote by the expectation with respect to the Gibbs measure proportional to :
Under the above assumptions, there exists some such that
Moreover, for any , there exists some such that
In the rest of this section, we will establish Proposition 4.1. To fix our notation, for any real -matrix , define the Frobenius and operator norms, respectively, as
Recall applied to a vector is the norm and note that .
Let and recall also that .
There exist and such that if then
By (37), if , then
which, together with (32) for implies that,
Combining this with (37) and (38), we obtain that
which together with the fact that for all implies that
Our assertion follows by putting this and (39) together.
We let be the indicator function for event .
There exist constants and such that, for any ,
Proof. Recall the constants and from the statement of Lemma 4.2. If , then for any ,
Our proof is completed by taking
Let There exist and such that, for any ,
For any non-negative random variable , by Lemma 3.1.8 in ,
Using this inequality with , we have
2 Convexity and pseudo-Lipschitz property of the overlaps
If then the following function is convex:
Proof. For simplicity, for , we denote From (29),
where in the third line we used the Minkowski inequality. Again, by (29),
we can again use the Minkowski inequality to obtain
For any there exists some such that
Proof. Let us denote by Note that from Lemma 4.6,
where we used the assumption (30). Using Lemma 4.4 with , we see that there exists some such that
3 Concentration of the free energy
For clarity, here we will now denote by . Let us start with the following result.
There exist constants and such that for all ,
Using that by (28) (below the constant amy change from place to place),
where the last inequality used (41). Note that from (31), there exists a constant such that
Using this inequality, we can argue similarly that
In similar manner, we readily compute that
for some , which implies Lemma 4.8.
There exist absolute constants and such that, for all ,
Proof. For simplicity of notation, denote
If we define , then the above Lemma proves that
Let be a constant to be chosen later and . Since, for ,
and we have equality for , if we define
then for all such that . From this definition, it can be seen from the reverse triangle inequality that
By (44) and the Gaussian-Poincaré concentration inequality,
Next, using (45) and the Cauchy-Schwarz inequality, we control
4 Proof of Proposition 4.1
We will only consider the case of the overlap , since the proof for is almost identical. In this section we will denote by a constant that depends only on the parameters of the model, but can vary from one occurrence to the next. Let us consider the event
By (43), we can and will choose so that the probability of the event is at least . From Lemma 4.7,
Let be the -derivative of . In the remainder we will control the same expectation on the event , and we will use the convexity of in , which implies that
Take such that, for , the inequalities in Lemmas 4.3, 4.4 and 4.9 hold. By Lemma 4.9, the expectation of the square of the term between the parentheses above can be bounded by .
In order to control the first term above, our goal will be to control
For simplicity of notation we denote . Since, for , the inequalities in Lemmas 4.3 and 4.4 hold, on the event , for some ,
where we also denoted .
We now proceed as in the proof of Lemma 4.9. Take as in (49) and as in (50), denote and let
Then, from (50), for all ,
Using (52) and the Cauchy-Schwarz and Minkowski inequalities,
where in the last line we used the first equation in (49). Since , by (50)
Therefore, the second equation in (49) implies that
where the last inequality used (51). Together with (53), this implies that, on the event ,
assuming as above that and . In particular,
and \bigl{|}F_{N}^{\prime}(\lambda,0)-F_{N}^{\prime}(-\lambda,0)\bigr{|}\leqslant K\lambda. Plugging this into (48) and, as we mentioned above, using Lemma 4.9 for the second term,
by optimizing over . Using (54) on the event and then combining with (47) gives
This proves the first inequality in (36). The proof of the second inequality is identical.
Fixed point equations
This section establishes the proof of Theorem 3.3. The key ingredient here is to show that equations (17)–(20) are satisfied by the subsequential limits of the overlaps, based on a cavity/leave-one-out argument and gaussian integration by parts.
For every , there exists some such that, uniformly on ,
Proof. Here we will denote by . Because is an increasing function of and is decreasing, the Harris inequality implies . As a consequence we have that
Furthermore, because the standard gaussian vector is independent of under the cavity measure, by the rotational invariance of we have that where is an independent standard gaussian variable, so under the cavity measure . Thus, by Assumption 1
Finally, by the independence of from and and Proposition 4.1, the right-hand side of this last equation is easily seen to be smaller than some constant that does not depend on .
There exist constants such that
Proof. As in the previous lemma, we will denote by . Let
for , and denote by the expectation with respect to the associated Gibbs measure. We then clearly have that
for some constants that do not depend on . Here, the bound for the first factor follows from the Brascamp-Lieb inequality, while the bound on the second term is a generalization of Lemma 5.1. The proof for is similar.
2 Consistency equations for the overlaps
Throughout this subsection, we will repeatedly use the concentration results for the generalized overlaps and from Section 4 that are applicable to the overlaps using , using , using , and using . Denote
By Proposition 4.1, there exists some compact set such that for all , belongs to . Thus, there exists a subsequence of system sizes along which
for some in . For the rest of this section, we work with this convergent subsequence and we aim to show that satisfies (17)–(20) in Propositions 5.4 and 5.5. To begin with, we establish
By Proposition 4.1 and Lemma 5.2, as where
The vector satisfies (19) and (20).
By equation (55), the overlap definition (11), the spin symmetry and the geometric series (recall ) we have that
Note that by Assumption 1 the first term is the mean of a continuous and bounded function of . Then by Lemma 5.3 we have that
The second term can be bounded in the following way
where in the first line we used Assumption 1, in the second Cauchy-Schwarz and Jensen’s inequalities, and in the last one that by Lemma 5.1 there exists a constant that bounds the first factor in the square root. Now, because is a continuous and bounded function of , by Lemma 5.3 we have that
By taking the limit in equation (58) and using the convergence of the overlap along the subsequence , this implies that
Consider the two terms in separately. Taking the limit , by the monotone convergence theorem,
and since by Assumption 1, by the dominated convergence theorem, we also have
To see that the second term goes to , note that . The limit then follows by the dominated convergence theorem. This proves , i.e., equation (20).
The proof that (equation (19)) follows in a similar way. Let . For each define
By Assumption 1, all these are continuous and bounded functions of . As before, by the cavity formula and the geometric series we have that
Finally, the conclusion follows in a similar manner as for the first equation: Lemma 5.3 is used for the sum while the second term can be seen to go to when .
To establish the second pair of fixed point equations, a feasible approach would be to perform a cavity argument over the variables indexed by analogous to the proof of Proposition 5.4 (this “cavity in ” is in general more involved than the “cavity in ”). Nevertheless, by the virtue of concentration of the overlaps, we show that they can also be obtained through an elementary derivation via gaussian integration by parts.
The vector satisfies (17) and (18).
Proof. To see this, note that by the term in the Hamiltonian (6) we can use gaussian integration by parts with respect to and the gaussian variables . In particular
and, denoting the modified Hamiltonian ,
These identities imply (recall the definitions (10))
The concentrations of , , , and (see Proposition 4.1) then implies that
Sending , these lead to and (equations (17) and (18)) and complete our proof.
Propositions 5.4 and 5.5 together conclude that satisfies (17)–(20). We are now in position to prove Theorem 3.3 for the ST spin glass model.
3 Proof of Theorem 3.3.
Consider any subsequence of system sizes. As explained above Lemma 5.3, there exists some further subsequence such that
for some in a compact set . By Propositions 5.4 and 5.5 and the continuity of the functions , , , and , we see that is a solution of (17)–(20). Since this system of equations has only one unique solution as ensured by the given assumption, it follows that any convergent subsequence will share the same limit and this implies the assertion.
Proof of Theorem 3.2
In this section, we establish the convergence of using a basic interpolation in this section. Let be fixed. For , consider an auxiliary free energy
For any there exist constants and such that for all and we have
Sending in (17)–(20) also yields that . Hence, are continuous on $$.
where with i.i.d. standard gaussian . Because the fixed point equations satisfy the critical point conditions
and are locally Lipschitz on we conclude that . To compute this partial derivative, let for an independent copy of . Using gaussian integration by parts with respect to and yields
Proof of Theorem 3.4
The free energy and overlap for the ST model with a random and fixed are asymptotically the same:
For consider the interpolated free energy,
Let be the Hamiltonian defined by the above exponent. The associated Gibbs mean is denoted by and is defined by
From these, the mean value theorem and the Hölder inequality, there exists such that
The same proof as of Lemma 4.4 yields that for any there exists some such that for all and
Since the expectation of every term in the bracket is bounded by a universal constant, we obtain (62) by using (7) and taking
where is a constant independent of Therefore, letting implies
we can apply (68) with the choices and to get
Putting these together and applying (67) with , we obtain that for all and
for some constant independent of Plugging (69) and (70) into (7) validates (63). ∎
Now we proceed to establish (22) and (23). From Theorem 3.3 and (15),
As for (22), from (LABEL:add:eq-5.1), we can write
and is an orthonormal matrix satisfying Write
Here the first term on the right-hand side vanishes in norm by the given assumption. For the second term, observe that conditionally on , is the same as in distribution. Lemma 4.9 (with and ) allows us to write that with probability one,
where is independent of Hence, we can bound the second term by
We bound the third term in (71) by using the Jensen inequality,
W.-K.C. was partly supported by NSF DMS-17-52184. D.P. was partially supported by NSERC and Simons Fellowship.