S-1 Proof sketch of Theorem 1
It is worth noting that to deal with random sub-collection, we need to use a general model selection theorem for MLE under a random sub-collection (cf. (4, Theorem 5.1) or (6, Theorem 7.3)). This is the extension of (3, Theorem 2), which dealt with conditional density estimation but not random sub-collection, and (12, Theorem 7.11), which only works for density estimation. We then explain how we use S-1 to obtain the oracle inequality, Theorem 1. To do this, our model collection must satisfy some regularity assumptions, which are proved in Section S-3. The main difficulties in proving our oracle inequality lie in bounding the bracketing entropy of the weights and means restricted to relevant variables, as well as in rank sparse models, and in particular with block-diagonal covariance matrices for the SGaBloME model. To overcome the first problem, we extend and adapt the strategies of [14] ; [5] . For the second, we extend the recent novel result on block-diagonal covariance matrices in [6] for Gaussian mixture models from [9] ; [13] .
S-1.0.1 General model selection theorem for MLE among a random sub-collection.
First, we impose a structural assumption on each model indexed by regarding the bracketing entropy, defined by (S-2), conditioned on the model w.r.t. a tensorized squared Hellinger (TSH) distance . In fact, this is an extension of the squared Hellinger distance , as follows
| (S-1) |
Recall that the bracketing entropy of a set with respect to an arbitrary distance , denoted by , is defined as the logarithm of the minimal number of brackets covering , such that . That is,
| (S-2) |
where the term is defined by , . This leads to the following Assumption 1 (H).
Assumption 1 (H).
For every model in the collection , there is a non-decreasing function such that is non-increasing on and for every ,
where . The model complexity of is then defined as , where is the unique root of .
This bracketing entropy integral, often call Dudley integral, plays an important role in empirical processes theory (cf. [16] ; [8] ; [11] ). Observe that the model complexity does not depend on the bracketing entropies of the global models , but rather on those of smaller localized sets .
For technical reasons, a separability assumption, always satisfied in the setting of this paper, is also required. Assumption 2 (Sep) is a mild condition, which is classical in empirical process theory [16] ; [8] and allows us to work with a countable subset.
Assumption 2 (Sep).
For every model , there exists some countable subset of and a set with , where denotes Lebesgue measure, such that for every , there exists some sequence of elements of , such that for every and every .
To control the complexity of our collection, we also need an information-theoretic assumption. We assume the existence of a Kraft-type inequality for the collection [12] ; [1] .
Assumption 3 (K).
There is a family of non-negative numbers and a real number such that
We can now state the main result of (4, Theorem 5.1) for the model selection theorem for MLE under a random sub-collection.
Theorem S-1.
Let be the observations coming from an unknown conditional density . Let the model collection be an at most countable collection of conditional density sets. Assume that Assumption 1 (H), Assumption 2 (Sep), and Assumption 3 (K) hold for every . Let , and , such that
and let , such that
| (S-3) |
Next, we introduce a random sub-collection of and consider the collection of -LLMs defined in (9). Then, for any , and any , there are two constants and depending only on and , such that, for every index ,
where the model complexity is defined in Assumption 1, the -PMLE , defined in (10) on the subset instead of , satisfies
S-1.0.2 Strategy for the proof of Theorem 1
We will briefly show how S-1 can be used to prove Theorem 1. All we need to do is check that Assumption 3 (K), Assumption 2 (Sep) and Assumption 1 (H) hold for every . According to the result of (4, Section 5.3), Assumption 2 (Sep) holds if we consider Gaussian densities, and the assumption defined by (S-3) is true if we further assume that the true conditional density is bounded and compactly supported. Furthermore, since we have restricted to a finite collection of models, it is true that there exists a family and such that Assumption 3 (K) is satisfied. Therefore, the remaining most difficult step of the proof for Assumption 1 (H) is presented in Section S-2. All technical results are moved to Section S-3.
S-2 Proof of Theorem 1
Note that the definition of model complexity in Assumption 1 (H) is related to a classical entropy dimension of a compact set w.r.t. a Hellinger type divergence , thanks to the following Proposition S-1, which is established in (3, Proposition 2).
Proposition S-1.
Then, we claim that Proposition S-1 implies Assumption 1 (H) because of the fact that
| (S-4) |
where is a constant depending on the model.
Next, recall that the definition from (4) is defined as follows:
| (S-5) |
Here, , is the set of vectors restricted to the set of indices of relevant input variables , the set of matrices with relevant columns indexed by and ranks , and the set of positive definite block-diagonal matrices depending on partitions .
If and are not too large, we do not need to select relevant variables and/or use rank sparse models. We can then work on the structures for means and weights as in LinBoSGaME [14] . However, to deal with high-dimensional data and to simplify the interpretation of sparsity, we propose to use monomials for weights and polynomial regression models for the soft-max gating functions and the means of Gaussian experts. It is worth mentioning that here we provide a proof of a more general result compared to the model defined as in (4). More precisely, we replace the polynomial constructions for the weighting functions with monomials that allow interactions between covariates as follows:
| (S-6) |
Here, note that the multi-index , is an -tuple of nonnegative integers that satisfies and . Then, for all , we define , . The number is called the order or degree of monomials . By using the well-known stars and bars methods, e.g., (7, Chapter 2), the cardinality of the set , denoted by , equals . Note that, for all , we define as for the means, which are often used for polynomial regression models. Here, is the set of multi-index (vector) in restricted to the set of indices of relevant input variables , that is, . Furthermore, given a regressor , for all , , we define . We then generalize the definition of relevant variables for monomials as follows. Note that we call a couple irrelevant if the elements and for all , , .
We also require some additional definitions of the following sets:
We define the following distance over conditional densities:
This leads straightforwardly to . Then, we also define
for any gating functions and . To this end, given any densities and over , the following distance, depending on , is constructed as follows:
Moreover, given any and , let us define
Next (S-4) can be obtained by first decomposing the entropy term between the softmax gating functions and the Gaussian experts via Lemma S-1, which is immediately obtained from (14, Lemma 6), an extension of the results in (9, Theorem 2), [10] , (3, Lemma 7) and [2] .
Lemma S-1.
For all , it holds that
Then, we define the metric entropy of the set : , which measures the logarithm of the minimum number of spheres with radius at most , corresponding to the distance needed to cover , where
| (S-7) |
for arbitrary -tuples of the functions and . Here , and given , is the Euclidean distance in .
Based on this metric, one can first relate the bracketing entropy of to , and then obtain the upper bound for its entropy via Lemma S-2, which is proved in Section S-3.1.
Lemma S-2.
For all ,
| (S-8) |
where , and .
Lemma S-3 allows us to construct the Gaussian brackets to handle with the entropy metric for Gaussian experts, which is established in Section S-3.2.
Lemma S-3.
For all ,
| (S-9) |
It is interesting that the constant does not depend on the dimension of the model thanks to the hypothesis that is common for every model in the collection. Therefore, Proposition S-1 implies that, given , the model complexity satisfies
To this end, S-1 implies that to a collection of PSGaBloME models with the penalty functions satisfies with the oracle inequality of Theorem 1 holds.
S-3 Lemma proofs
S-3.1 Proof of Lemma S-2
It holds that
Next, we need to find an upper bound of . Note that for all , we obtain the following important inequality
Therefore, given the fact that , for all , it holds that
S-3.2 Proof of Lemma S-3
It is worth noting that without restriction on relevant variables, rank sparse models on the means and structures on covariance matrices of Gaussian experts from the collection , the upper bound of the bracketing entropy of Gaussian experts from Lemma S-3 is directly implied from Proposition 2 and arguments from Appendix B.2.3 of [14] . However, in order to overcome the much more challenging problems with random subcollection based on relevant variables, rank sparse models on the means and block-diagonal covariance matrices, we have to reply on a much more constructive bracketing entropy in the spirits of works developed in [13] ; [14] ; [4] ; [5] ; [6] .
Given any , we first define the following set and its corresponding distance as
| (S-10) |
We need to specific block-diagonal structures for . To be more precise, for , we decompose into blocks, , and we denote by the set of variables into the th group, for , and by the number of variables in the corresponding set. Then, we define to be a block structure for the cluster , and to be the output indexes into each group for each cluster. In this way, to construct the block-diagonal covariance matrices, up to a permutation, we make the following definition: , for every , for every ,
| (S-13) |
Here, corresponds to the permutation leading to a block-diagonal matrix in cluster . It is worth pointing out that outside the blocks, all coefficients of the matrix are zeros and we also authorize reordering of the blocks: e.g., is identical to , and the permutation inside blocks: e.g., the partition of variables into blocks is the same as the partition .
Then, it follows that , where stands for the Cartesian product, and Lemma S-4, established in S-3.2.1.
Lemma S-4.
Given , it holds that
Next, we claim that Lemma S-3 is implied immediately via Lemma S-4 and the following important Lemma S-5, which is proved in S-3.2.2.
Lemma S-5.
For all and , there exists a constant such that
| (S-14) |
S-3.2.1 Proof of Lemma S-4
It is sufficient to verify that
By (S-2), for each , let be a minimal covering of -bracket for of with cardinality . By definition, we have
This leads to the set is a covering of -bracket for of with cardinality . Indeed, let any . Consequently, for each , and there exists , such that
Then, it follows that , with , , which leads to is a bracket covering of .
Now, we want to verify that the size of this bracket is via choosing . It holds that
Finally, Lemma S-4 is followed by the definition of a minimal -bracket covering number for .
S-3.2.2 Proof of Lemma S-5
We need to bound the bracketing entropy in (S-14). To do this, we need to construct an extension to the multidimensional Gaussian mixture of [9] , defining a net over the parameter space of Gaussian experts. Next, we aim to construct a bracket covering of according to the tensorized Hellinger distance, based on Gaussian dilatations.
Step 1: Construction of a net for the block-diagonal covariance matrices.
Firstly, for a given matrix , we denote by the adjacency matrix associated to the covariance matrix . Note that this matrix of size can be defined by a vector of concatenated upper triangular vectors. We are going to make use of the result from [6] to handle the block-diagonal covariance matrices , via its corresponding adjacency matrix. To do this, we need to construct a discrete space for , which is a one-to-one correspondence (bijection) with
where is the set of symmetric matrices of size taking values on .
Then, we want to deduce a discretization of the set of covariance matrices. Let denotes Hamming distance on defined by
Let be the subset of of vectors for which the corresponding graph has structure . Then, given any , Corollary 1 and Proposition 2 from Supplementary Material A of [6] lead to that there exists some subset of , as well as its equivalent for adjacency matrices satisfy
| (S-15) | ||||
| (S-16) |
where
Therefore, by choosing , given , there exists , such that
| (S-17) |
Based on , we can construct the following bracket covering of via defining suitable nets for the means of Gaussian experts. More precisely, given any , we claim that the set
is an -brackets set over where the constant and function and its corresponding space will be specified later. Indeed, we consider any function that belongs to , where and . According to (S-17), there exists such that
Step 2: Construction of a net for the mean functions.
We claim that given any , any , there exist a minimal covering of -bracket and a function such that
| (S-18) | ||||
| (S-19) |
To accomplish this, we use the singular value decomposition of , , with , denote the singular values of , with corresponding orthogonal unit vectors and . Then, we construct , where and , , are determined so that (S-18) and (S-19) are satisfied. Note that for each , it holds that
where we used the fact that for all , , as . Thus, (S-18) is immediately followed if we now choose and such that
| (S-20) | ||||
| (S-21) |
Let us now see how to construct to get (S-20). This task can be accomplished if for all , , we set
Next, let us now see how to construct to get (S-21). The boundedness assumption in (7) implies that
Therefore, (S-21) is immediately implied if we now choose , and such that
This task can be accomplished as follows: for all , , , set
Note that, according to (15, I.8), we only need to determine the vectors and since the remaining elements of such vectors belong to the the nullspace of and . The number of total free parameters in the previous two vectors are
To this end, for all , , and , we let
In particular, (S-19) is proved by the following entropy controlling
Step 3: Upper bound of the number of the bracketing entropy for .
Next, in order to evaluate the ratio of two Gaussian densities, we make use of Lemma S-6.
Lemma S-6 (Proposition C.1 from [13] ).
Let and be two Gaussian densities. If is a positive definite matrix then for all ,
Lemma S-7 (Similar to Lemma B.8 from [13] ).
Assume that , and set . Then, for every , and are both positive definite matrices. Moreover, for all ,
Proof.
For all , since , , and , it follow that
and
∎
By using Lemma S-6 and the same argument as in the proof of Lemma B.9 from [13] , given , where is chosen later, and , we obtain
| (S-22) |
Because is a non-decreasing function, . Combined with (S-18) where , we conclude that
This means that . Hence, it remains to bound the size of bracket w.r.t. .
To this end, we aim to verify that . To accomplish this, we make use of Lemma S-8.
Lemma S-8 (Proposition C.3 from [13] ).
Let and be two Gaussian densities with full rank covariance. It holds that
Therefore, using the fact that , Lemma S-8 leads to, for all ,
where , and . The upper bounds of terms and separately imply that, for all ,
where we choose , , which appears in (S-22) and satisfies and . Indeed, studying functions and yields
where we used the fact that . Then, since , by applying Taylor’s Theorem, it is true that
We wish to find an upper bound for , , , . Since is an increasing function, then we have
since , . Then, since ,
Next, note that the set of -brackets over is totally defined by the parameter spaces and . This leads to an upper bound of the -bracketing entropy of is evaluated from an upper bound of the two set cardinalities. Hence, given any , by choosing , , and , it holds that
To this end, note that , we obtain
where .
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