Group Lasso with Overlaps: the Latent Group Lasso approach
Guillaume Obozinski, Laurent Jacob, Jean-Philippe Vert
Introduction
The corresponding decomposition of a parameter vector into latent variables calls for the notion of group-support, which we introduce and which corresponds to the set of non-zero latent variables. In the context of a learning problem regularized by the norm we propose, we study the problem of group-support recovery, a notion stronger than the classical support recovery. Group-support recovery typically implies support recovery (although not always) if the support of a parameter vector is exactly a union of groups. We provide sufficient conditions for consistent group-support recovery.
In the definition of our norm, a weight is associated with each group. These weights play a much more important role in the case of overlapping groups than in the case of disjoint groups, since in the former case they determine the set of recoverable supports and the complexity of the class of possible models. We discuss the delicate question of the choice of these weights.
While the norm we consider is quite general and has potentially many applications, we illustrate its potential on the particular problem of learning sparse predictive models for cancer prognosis from high-dimensional gene expression data. The problem of identifying a predictive molecular signature made of a small set of genes is often ill-posed and so noisy that exact variable selection may be elusive. We propose that, instead, selecting genes in groups that are involved in the same biological process or connected in a functional or interaction network could be performed more reliably, and potentially lead to better predictive models. We empirically explore this application, after extensive experiments on simulated data illustrating some of the properties of our norm.
To summarize, the main contributions of this paper, which rephrases and extends a preliminary version published in Jacob et al. (2009), are the following:
We define the latent group Lasso penalty to infer sparse models with unions of predefined groups as supports, and analyze in details some of its mathematical properties.
We introduce the notion of group-support and group-support recovery results. Using correspondence theory, we show under appropriate conditions, that, in a classical asymptotic setting, estimators for the linear regression regularized with are consistent for the estimation of a sufficiently sparse group-support.
We discuss in length the choice of weights associated to each group, which play a crucial role in the presence of overlapping groups of different sizes.
We provide extended experimental results both on simulated data — addressing support-recovery, estimation error and role of weights — and on breast cancer data, using biological pathways and genes networks as prior information to construct latent group Lasso formulations.
The rest of the paper is structured as follows. We first introduce the latent group Lasso penalty and position it in the context of related work in Section 3. In Section 4 we show that it is a norm and provide several characterizations and variational formulations; we also show that regularizing with this norm is equivalent to covariate duplication (Section 4.6) and derive a corresponding multiple kernel learning formulation (Section 4.7). We briefly discuss algorithms in Section 4.8. In Section 5, we introduce the notion of group-support and consider in Section 6 a few toy examples to illustrate the concepts and properties discussed so far. We study group support-consistency in Section 7. The difficult question of the choice of the weighting scheme is discussed in Section 8. Section 9 presents the latent graph Lasso, a variant of the latent group Lasso when covariates are organized into a graph. Finally, in Section 10, we present several experiments: first, on artificial data to illustrate the gain in support recovery and estimation over the classical Lasso, as well as the influence of the choice of the weights; second, on the real problem of breast cancer prognosis from gene expression data.
Notations
Throughout the article, denotes a set of groups, usually fixed in advance for each application, and we denote the number of groups in . We require that all covariates belong to at least one group, i.e.,
Group Lasso with overlapping groups
often leads to a solution that lies on a singularity, i.e., to a vector such that for some of the groups in . Equivalently, the solution is sparse at the group level, in the sense that coefficients within a group are usually zero or nonzero together. The hyperparameter in (2) is used to adjust the tradeoff between minimizing the loss and finding a solution which is sparse at the group level.
When is not a partition anymore and some of its groups overlap, the penalty (1) is still a norm, because we assume that all covariates belong to at least one group. However, while the Lasso is sometimes loosely presented as selecting covariates and the group Lasso as selecting groups of covariates, the group Lasso estimator (2) does not necessarily select groups in that case. The reason is that the precise effect of non-differentiable penalties is to set covariates, or groups of covariates, to zero, and not to select them. When there is no overlap between groups, setting groups to zero leaves the other full groups to nonzero, which can give the impression that group Lasso is generally appropriate to select a small number of groups. When the groups overlap, however, setting one group to zero shrinks its covariates to zero even if they belong to other groups, in which case these other groups will not be entirely selected. This is illustrated in Figure 1(a) with three overlapping groups of covariates. If the penalty leads to an estimate in which the norm of the first and of the third group are zero, what remains nonzero is not the second group, but the covariates of the second group which are neither in the first nor in the third one. More formally, the overlapping case has been extensively studied by Jenatton et al. (2009), who showed that in the case where is an empirical risk and under very general assumptions on the data, the support of a solution of (2) almost surely satisfies
for some , i.e., the support is almost surely the complement of a union of groups. Equivalently, the support is an intersection of the complements of some of groups considered.
In other words, this formulation leads to sparse solutions whose support is likely to be a union of groups.
Interestingly, problem (3) can be reformulated as the minimization of the cost function penalized by a new regularizer which is a function of only. Indeed since the minimization over only involves the penalty term and the constraints, we can rewrite (3) as
To summarize, we enforce a prior we have on by introducing new variables in the optimization problem (3). The constraint we impose is that some groups should be shrunk to zero, and a covariate should have zero weight in if all the groups to which it belongs are set to zero. Equivalently, the support of should be a union of groups. This new problem can be re-written as a classical minimization of the empirical risk, penalized by a particular penalty defined in (5). This penalty itself associates to each vector the solution of a particular constrained optimization problem. While this formulation may not be the most intuitive, it allows to reframe the problem in the classical context of penalized empirical risk minimization. In the remaining of this article, we investigate in more details the latent group Lasso penalty , both theoretically and empirically.
can then be interpreted as the value of a min set-cover. This penalization has been considered in Huang et al. (2009) under the name block coding, since, indeed, when is interpreted as a coding length, this penalization induces a code length on all sets, which can be interpreted in the MDL framework.
It should be noted that recent theoretical analyses of the norm studied in this paper have been proposed by Percival (2011) and Maurer and Pontil (2011). They adopt points of views or focus on questions that are complementary of this work; we discuss those in section 7.3.
Some properties of the latent group Lasso penalty
In this section we study a few properties of the latent group Lasso , which will be in particular useful to prove consistency results in the next section. After showing that is a valid norm, we compute its dual norm and provide two variational formulas. We then characterize its unit ball as the convex hull of basic disks, and compute its subdifferential. When used as a penalty for statistical inference, we further reinterpret it in the context of covariate duplication and multiple kernel learning. To lighten notations, in the rest of the paper we simply denote by .
Proof The objective of problem (5) is a proper closed convex function with no direction of recession. Lemma 1 is then the consequence of classical results in convex analysis, such as Theorem 27.2 page 265 of Rockafellar (1997). The following statement shows that, unsurprisingly, we can regard as a classical norm-based penalty.
is a norm.
2 Dual norm and variational characterizations
being a norm, by Lemma 1, we can consider its Fenchel dual norm defined by:
The following lemma shows that has a simple closed form expression:
The Fenchel dual norm of satisfies:
Proof We start from the definition of the dual norm (6) and compute:
The second equality is due to the fact that :
and the fifth results from the explicit solution of the maximization in in the fourth line.
The norm was initially defined as the solution of an optimization problem in (5). From the characterization of we can easily derive a second variational formulation:
Proof Since the bi-dual of a norm is the norm itself, we have the variational form
With a few more efforts, we can also derive a third variational representation of the norm , which will be useful in Section 7 in the proofs of consistency:
is a bijection from to . For any , the only vector that satisfies is given by , where is any vector of .
where for any , the minimum in is uniquely attained for defined in (11). By definition of , the set of solutions of (12) is therefore exactly the set of pairs of the form for . Let us now isolate the minimization over in (12). To incorporate the constraint we rewrite (12) with a Lagrangian:
The inner minimization in , for fixed and , yields . The constraint therefore implies that, after optimization in and , we have , and as a consequence that . A small computation now shows that, after optimization in and for a fixed , we have:
Plugging this into (12), we see that after optimization in , the optimization problem in is exactly (10), which by definition admits as solutions, while we showed that (12) admits as solutions. This shows that , and since for any there exists a unique that satisfies , namely, , is indeed a bijection from to . Finally, we noted in the proof of Lemma 6 that for any and , . This shows that the unique associated to a can equivalently be written , which concludes the proof of Lemma 7.
3 Characterization of the unit ball of ΩΩ\Omega as a convex hull
Figure 2(b) suggests visually that the unit ball of is just the convex hull of a horizontal disk and a vertical one. This impression is correct and formalized more generally in the following lemma.
Conversely, if , then there exists , such that and we obtain and in the simplex by letting and
It should be noted that this lemma shows that is the gauge of the convex hull of the disks , in other words, is, in the terminology introduced by Chandrasekaran et al. (2010), the unit ball of the atomic norm associated with the union of disks .
4 Subdifferential of ΩΩ\Omega
The subdifferential of at is, by definition:
We can now show a simple relationship between the decomposition of a vector induced by , and the subdifferential of .
For any and any ,
Proof Let and . Since , we have which implies . On the other hand, we also have so that which is a sum of non-negative terms. We conclude that, for all , we have which yields the result. We can deduce a general property of all decompositions of given vector:
Proof By Lemma 9, if and , then so that .
5 ΩΩ\Omega as a regularizer
Its solutions are characterized by optimality conditions from subgradient calculus:
can be decomposed as for some with for all :
Proof (a) is immediate from subgradient calculus and the fact that (see Section 4.4). (b) is immediate from Lemma 9.
6 Covariate duplication
In this section we show that empirical risk minimization penalized by is equivalent to a regular group Lasso in a covariate space of higher dimension obtained by duplication of the covariates belonging to several groups. This has implications for practical implementation of as a regularizer and for its generalization to non-linear classification.
More precisely, let us consider the duplication operator:
where is the matrix of training points and is therefore the vector of inner products of with the training points. Many problems, in particular those considered in Section 4.5, have this form. By definition of we can rewrite (16) as
On the example of Figure 1,with overlapping groups, this duplication trick can be rewritten as follows :
7 Multiple Kernel Learning formulations
Given the reformulation in a duplicated variable space presented above, we provide in this section a multiple kernel learning (MKL) interpretation to the regularization by our norm and show that it extends naturally the case with disjoint groups.
To introduce it, we return first to the concept of MKL (Lanckriet et al., 2004; Bach et al., 2004) which we can present as follows. If one considers a learning problem of the form
then by the representer theorem the optimal value of the objective only depends on the input data through the Gram matrix , which therefore can be replaced by any positive definite (p.d.) kernel between the datapoints. Moreover can be shown to be a convex function of (Lanckriet et al., 2004). Given a collection of p.d. kernels , any convex combination with and is itself a p.d. kernel. The multiple kernel learning problem consists in finding the best such combination in the sense of minimizing :
The kernels considered in the linear combination above are typically reproducing kernels associated with different reproducing kernel Hilbert spaces (RKHS).
with , then and are equivalent in the sense that the optimal values of both objectives are equal with a bijection between the optimal solutions. Note that such an equivalence does not hold if the groups overlap.
Conversely, it should be noted that, while one of the application of multiple kernel learning is data fusion and thus allows to combine kernels corresponding to functions of intrinsically different input variables, MKL can also be used to select and combine elements from different function spaces defined on the same input. In general these function spaces are not orthogonal and are typically not even disjoint. In that case the MKL formulation corresponds implicitly to using the norm presented in this paper.
This last formulation can be viewed as the structured MKL formulation associated with the norm (see Bach et al., 2011, sec. 1.5.4). It is clearly more interesting computationally when . It is however restricted to a particular form of kernel for each group, which has to be a sum of feature kernels . In particular, it doesn’t allow for interactions among features in the group.
In the two formulations above, it is obviously possible to replace the linear kernel used for the derivation by a non-linear kernel. In the case of (21) the combinatorial structure of the problem is a priori lost in the sense that the different kernels are no longer linear combinations of a set of “primary” kernels, while this is still the case for (22).
Using non-linear kernels like RBF, or kernels on discrete structures such as sequence- or graph-kernels may prove useful in cases where the relationship between the covariates in the groups and the output is expected to be non-linear. For example if is a group of genes and the coexpression patterns of genes within the group are associated with the output, the group will be deemed important by a non linear kernel while a linear one may miss it. More generally, it allows for structured non-linear feature selection.
8 Algorithms
Alternatively, efficient algorithms which do not require working in the space of duplicated covariates are possible. Such an algorithm was proposed by Mosci et al. (2010) who suggested to use a proximal algorithm, and to compute the proximal operator of the norm via an approximate projection on the unit ball of the dual norm in the input space. To avoid duplication, it would also be possible to use an approach similar to that of (Rakotomamonjy et al., 2008). Finally, one could also consider algorithms from the multiple kernel learning literature.
Group-support
A natural question associated with the norm is what sparsity pattern are elicited when the norm is used as a regularizer. This question is natural in the context of support recovery. If the groups are disjoint, one could equivalently ask which patterns of selected group are possible, since answering the latter or the former questions are equivalent. This suggest a view in which the support is expressed in terms of groups. We formalize this idea through the concept of group-support of a vector , which, put informally, is the set of groups that are non-zero in a decomposition of . We will see that this notion is useful to characterize induced decompositions and recovery properties of the norm.
More formally, we naturally call group-support of a decomposition , the set of groups such that . We extend this definition to a vector as follows:
If has a unique decomposition , then is the group-support of its decomposition. We also define a notion of weak group-support in terms of uniqueness of the optimal dual variables.
It follows immediately from Lemma 9 that . When , we refer to as the group-support of ; otherwise we say that the group-support is ambiguous.
The definitions of strong group-support and weak group-support are motivated by the fact that in the variational formulation (8), the strong group-support is the set of groups for which the constraints are strongly active whereas the weak group-support is the set of weakly or strongly active such constraints (Nocedal and Wright, 2006, p.342). We illustrate these two notions on a few examples in Section 6.
2 Supports induced by the group-support
Since , it immediately follows that It is possible to have consider \mathcal{G}=\big{\{}\{1,2\},\{1,3\},\{2,3,4\}\big{\}} and for any . We then have \breve{\mathcal{G}}_{1}=\big{\{}\{1,2\},\{1,3\}\big{\}} and so that .. The following two lemmas show that, on , any dual variables are uniquely determined.
If , then for any , .
Proof Note that since for . Let . If , and if then, let such that there exists with . Setting leads to another vector that solves the second variational formulation (7) and such that which contradicts the hypothesis that .
Proof By definition of , for all there exists at least one and one group , such that . Now as a consequence of Lemma 9, for any two solutions , we have that , so in particular . For , Lemma 14 shows that .
Illustrative examples
In this section, we consider a few examples that illustrate some of the properties of , namely situations where weak and strong group support differ, or where there is an entire set of optimal decompositions. We will abuse notations and write for when writing explicit decompositions. We will denote by the correspondence (or set-valued function) defined by if , if and .
We first consider the case and .
We have . If , the optimal decomposition is unique with
and includes if and if . If , then is an optimal decomposition for any , , and .
We prove this lemma in section C.1.1 (as a special case of the “cycle of length three” which we consider next). Here, the case where the decomposition is not unique seems to be a relatively pathological case where the true support is included in the intersection of two groups. However, note that the weak group-support and strong-group support coincide, even in the latter case.
2 Cycle of length 3
We now turn to the case and . Note that if at least one of the groups is not part of the weak-group support, we fall back on the case of two overlapping groups. We therefore have the following lemma:
If the optimal decomposition is unique. If in addition, we have for :
Moreover, we have , and for , .
We prove this lemma in appendix C.1, and illustrate it on Figure 3 with the unit ball of the obtained norm. In this case it is interesting to note that the group-support (weak or strong) is not necessarily a minimal cover, where we say that a set of groups provides a minimal cover if it is impossible to remove a group while still covering the support. For instance, for in the interior of , the group-support contains all three groups, while the support is covered by any two groups. This is clearly a consequence of the convexity of the formulation. The cycle of length 3 is also interesting because, for any on the boundary of , the weak and strong group-support do not coincide, as illustrated on Figure 3 (right). Indeed if for example , then and so that by lemma 9 the dual variable satisfies , which means that is in the weak but not in the strong group-support.
3 Cycle of length 4
We consider the case and show the following result in appendix C.2.
For \mathcal{G}=\big{\{}\{1,2\},\{1,3\},\{2,4\},\{3,4\}\big{\}}. has the closed form
However, if , the optimal decomposition is never unique.
This suggests that for a general , unique solutions are the exception rather than the rule. This motivates a posteriori definitions of group-support that are meaningful in the case where the decomposition is not unique. We consider a necessary and sufficient condition for uniqueness in lemma 48.
Model selection consistency
In this section we consider the estimator obtained as a solution of the learning problem (13) in the context of a well-specified model. Specifically, we consider the linear regression model:
Several types of consistency results are of interest when using a sparsity-inducing norm as a regularizer. One typically distinguishes classical consistency where converges in probability to zero, prediction consistency where converges to zero in probability, and model selection consistency or support recovery where the support of coincides with the support of with high probability. We are interested in the discussion of the last type of result, support recovery, for solutions of (25).
As compared with the Lasso and the group Lasso in the case of disjoint supports, the discussion of support recovery is complicated by several factors here. First, supports that can be recovered are not exactly the ones that can be expressed as unions of groups in : as the reader might expect, the appropriate notion of support is (or ), the one induced by the concept of group-support introduced in section 5. Second, by contrast with the situation of the group Lasso with disjoint groups, the identification of the support (or ) is not equivalent to the identification of the group-support (or ), the latter being now a harder problem. As a consequence one should distinguish support recovery from group-support recovery, and, depending on the context, the appropriate notion to consider for model selection consistency might be one or the other. Third, the group-support is characterized by properties of the set whose convergence is less trivial to study than that of a vector. For these reasons, we consider only in this paper the classical asymptotic regime in which the model generating the data is of fixed finite dimension while . However we focus on the harder problem of group-support recovery, which will then imply support recovery results.
The proof of consistency we present below follows a classical proof scheme (Bach, 2008a). However the originality of our work reside in that we characterize the group-support consistency here, which requires in particular to study the convergence of the set-valued map . We therefore start in the next section by introducing appropriate notions of continuity for set-valued functions.
We appeal to the theory of correspondences developed by Claude Berge at the end of the 1950’s (Berge, 1959). In particular, we follow closely its presentation by Border (1985).
A correspondence from a set to a set , denoted , is a set-valued mapping which to each element associates a set .
When and are metric spaces, the usual notion of continuity of a function is replaced for correspondences by the following notions:
Given two metric spaces and , a correspondence is said to be upper hemicontinuous or u.h.c. (resp. lower hemicontinuous or l.h.c.) if for any point and any open set such that (resp. ) there exists a neighborhood of such that, for all , (resp. ). A correspondence is said to be continuous if it is both upper and lower hemicontinuous.
Note that a singleton valued correspondence can be identified with the function taking this unique value, and that is continuous if and only if is lower or upper hemicontinuous, both notions being equivalent in that case. The following results, which we prove in appendix A, are key to study the consistency of our method in the next section.
is an upper hemicontinuous correspondence.
2 Group-support recovery
In this section, we state and prove our main consistency results for group-support and support recovery in the least-square linear regression framework (24). We consider two main hypotheses:
We denote and . For convenience, for any group of covariates we note the design matrix restricted to the covariates in , and for any two groups we note .
Consider the following two conditions, where we denote simply by for sake of clarity:
Under assumption (H1), for and , conditions (C1) and (C2) are respectively necessary and sufficient for the strong group-support of the solution of (13), to satisfy with probability tending to as :
To show that is a feasible solution to (25) it is enough to show that . But since the noise has bounded variance,
is -consistent, and by the union bound we get . We therefore deduce that, for any ,
Since we chose such that , we have
This shows that, under (C2), is a feasible solution to (25) whose group-support is contained in , i.e., we have shown .
For the necessary condition, by contradiction, consider a solution supported on . Then, reusing the previous argument we have
which shows that for the optimality conditions of Lemma 11(b) to hold, condition (C1) is necessary. The previous theorem shows some partial consistency result in the sense that it guarantees that no group outside of the group-support will be selected. Since also converges with high probability in Euclidean norm to , this implies for the support that with high probability
However, the theorem does not guarantee that all groups in will be selected. This is not a shortcoming of the theorem: we provide an example in Appendix B which shows that it is possible that with probability 1. Nonetheless, we also show in the same appendix that with high probability there exists whose group-support is included in .
With assumptions (H1,H2) and for and , condition (C1) is sufficient for the strong group-support of the solution of (25), , to satisfy with high probability:
Proof The previous theorem shows that (C1) implies, with high probability, . However, by Lemma 22, we have that hypothesis (H2) guarantees that is continuous at for with . Combined with the fact that converges in probability with , this implies that , with probability larger than , , there exists such that . For each , for such that , there thus exists such that the previous convergence results implies that with high probability. Finally, since is finite, for large enough, the union bound ensures that, with high probability, .
The previous theorem shows the best result possible for the situation where , as, in the example of the cycle of length 3 of section 6.2, the case of . If , then we have the obvious corollary:
With assumptions (H1,H2), and assuming , for and , conditions (C1) and (C2) are respectively necessary and sufficient for the solution of (13) to estimate consistently the correct group-support .
Remarks: For the Lasso and the usual group Lasso with disjoint groups, the most favorable case w.r.t. to condition (C2) is the case where the empirical covariance of the design is the identity (the same analysis can be done in the random design case), i.e., the case where there is no correlations between groups. In that case, we have and the mutual incoherence condition is 0. However, in the case of overlap, for such that , then and we have . First, this gives yet another motivation to consider the weak-group support, since those groups in the weak-group support are exactly the ones for which (see Lemma 14). Second this show that if and have a large overlap then can be fairly close to even for a design with identity covariance. This means that it might be very difficult in practice to identify correctly as being outside of the support unless large amounts of data are available.
3 Related theoretical results
Maurer and Pontil (2011) give a bound on the Rademacher complexity of linear functions whose parameter vector lies in the unit ball of the norm , hence bounding the generalization error of such function. They consider as well extensions of this norm where each of the latent variables in the latent group Lasso are penalized by the norm of their image by some operator.
Our paper and these two papers have thus considered complementary aspects of estimation and recovery in statistical and compressed sensing based on settings which should all contribute to understanding the high-dimensional learning setting.
Choice of the weights
The choice of the weights associated to each group has been discussed in the literature on the classical group Lasso, when groups do not overlap. The main motivation for the introduction of these weights is to take into account the discrepancies of size existing between different groups. Yuan and Lin (2006) used , which yields solutions similar to the ANOVA test under a certain design. Bach et al. (2004) in the context of multiple kernel learning used , where are positive definite kernels, with in our context; for normalized features such as , this yields as well.
In the context of our latent group Lasso with overlapping groups, the choice of the weights is significantly more important than in the case of disjoint groups, and, arguably, than in the case of other formulations considering overlapping groups: indeed, the notions of group-support and and of support and associated to a vector through the norm themselves change according to the choice of the weights.
In this section we propose two types of arguments to study the effect of and guide the choice of weights:
On the one hand we consider a vector and ask, independently of a learning problem, which groups participate in its group support: there is no point in introducing a group in if the weights are such that it can never be included in the group support. We show in Section 8.1 that, for all groups to be useful, weights should increase with the size of the groups, but not too quickly; in Section 8.2 we attempt to characterize when large groups are preferred over unions of smaller ones.
On the other hand, we consider in Section 8.3 a simple regression scenario, and discuss the impact of the weights on the probability to correctly identify relevant groups, and simultaneously control the rate of false positives.
Informally, we are concerned in this section with the fact that, if a group contains a group and is too small, will never enter the group support, and, conversely, if is covered by a certain number of groups and is too large, then will never enter the group-support.
Formally, we say that a group is redundant for a certain set of weights if it can be removed without changing the value of the norm for any ; this is equivalent to asking that the dual norm is unchanged.
We first show that if there exists another group such that , is redundant unless we require that :
If satisfy and , then for any , .
Proof If , and if then , which implies .
It would be very natural to try and require that the weights are chosen so that, if , its group-support is exactly . Unfortunately, this is in general not possible: we show a negative result, which arises as a consequence of the previous lemma.
For some group sets , it is impossible to choose the weights independently of so that (or ) if the latter is a union of groups.
Proof Consider the groups , :
To have that for all Lemma 26 imposes that so that is not redundant; this is necessary to have for .
Then consider . requires that . But then so that . In particular and . For the inequality to hold for all , we need .
Finally consider . Following the same line as for the previous case, requires that , which implies that so that . In particular and . For the inequalities, and to hold for all , we need to have .
These three inequalities are clearly incompatible and which proves the result.
We now characterize more technically redundancy. The intuition behind the next lemma is the following geometric interpretation of the dual norm: the definition of implies that its unit ball is the intersection of cylinders of the form . This means that a group is redundant if its associated cylinder contains the unit ball of the norm induced by the remaining groups. This can be formally stated as follows:
Let and such that is covered by groups in , i.e., . Then is redundant if
In the case where the weights depend only on the cardinality of the , i.e., for , we consider the following condition:
Condition (C) is sufficient to guarantee that no group is redundant.
We would like insist that condition (C) is sufficient to guarantee non-redundancy but might be unnecessary for many restricted families of groups, for example as soon as each group contains an element which belongs to no other group. However, without any condition on the set of groups, the previous condition is the weakest possible if the weights depend only on the group sizes, since it becomes necessary in the following special case:
Assume that group with cardinality contains all groups of size , then (C) is necessary for to be non-redundant.
2 Dominating group
Let us first formalize the notion of group domination.
Let and a set of subgroups satisfying . We say that dominates if could be the weak group-support for some if was removed from , but is the weak group support of no in the presence of .
We can characterize the presence of domination in terms of weights as follows:
A group dominates a set of subgroups if and only if, on the one hand, is a possible group-support when is removed from , and, on the other,
As discussed previously, one natural property to require would be that if is exactly supported by a group , its group-support should be . As argued in Lemma 27, we can not have this property in general. We can however show that if the support of is a single group in , then this group is always in the group support of .
The following result shows that, under some conditions on the weights, we can ensure that a group does not dominate any set of subgroups that do not cover it entirely.
Let a group and a set of subgroups such that and . Assuming that could be in the group support of some if was removed from , then does not dominate if, for some constant , weights satisfy for all and .
Proof By Lemma 33, does not dominate if and only if . To prove this, let us rewrite as the solution of the following optimization problem:
By strong duality of linear programs is also the solution of the dual problem:
But if , under the conditions on the weights in Lemma 34, we can upper bound the optimal value as follows:
where the second inequality results from the constraints of the dual program and the fact that for , the corresponding terms in the sum are equal to . This shows that if , then . Note that Lemma 33 is tight in the following case:
For any group , if is a set of singletons of , each with weight , that could be in a group support if was removed, then dominates if and only if .
Proof This is a direct consequence of Lemma 33, where the value of is trivially equal to .
What the two previous lemmata indicate is that, if there are large gaps in size between a group of size and many much smaller subgroups contained in it, it is necessary to choose a value for the weight which is possibly unreasonably large, to allow all combinations of subgroups to be selected (even non-covering ones). Lemma 35 is illustrated on Figure 4, with the the group . Giving singletons the weight , the critical weight for to dominate or not pairs of singletons is . We represent it equivalently as with on Figure 4. This corresponds to the critical value, below which it is not possible to select two singletons only . The trade-off we are facing here is not surprising when the weights are thought to correspond to code lengths. Indeed, in light of the interpretation of the norm as a relaxation of a block coding penalization, it is clear that allowing groups with quite large weights (i.e., code lengths) increases the expressiveness of the code at the expense of compressibility and reduces the strength of the prior on support, since large weight allows for a greater diversity of supports. Put more simply, there is a trade-off between how coarsely the supports are encoded and how informative the prior on the supports is. The trade-off can also be interpreted as a bias-variance trade-off, where biasing the estimate of the support with a coarser set of patterns reduces the variance in its estimation.
It should be noted that, as an important consequence of domination, the set of possible sparsity patterns (although consisting of unions of sets of ) is in general not stable by union.
3 Importance of weights for support consistency, FDR and FWER control
In this section we consider the following regression setting:
where the design matrix is taken to be the identity and the noise to be Gaussian, bearing in mind that the analysis we propose here could be extended easily to the case of a design satisfying properties such as RIP with noise that could be taken more generally subgaussian. The mapping to the solution of this optimization problem is often called the soft-thresholding operator, shrinkage operator or proximal operator associated with the norm . We denote this mapping . In terms of support recovery and group-support consistency, a reasonable minimal requirement is that for sufficiently large values of the coefficients and for small levels of noise, assuming that the distribution of the noise is absolutely continuous with respect to the Lebesgue measure, the solution to problem (26) should retrieve the correct support, provided the latter can be expressed as a union of groups.
We first show that redundant groups may never be selected by (26).
Take with and . Then for any , a.s. where .
Proof We first note that the optimality condition for (26) is
where . We then reason by contradiction and assume so that . Then, because , , which implies . But a.s., this implies , and therefore that . But restricted to should then both be equal to by optimality condition, and be equal to , which is a contradiction. Lemma 36 should be compared to Lemma 26. While the later one shows that can not be selected without , Lemma 36 shows that in the regression setting it may simply not be selected a.s. This shows in particular that can pose a problem of support consistency because it implies that, if the only way to write the support as a union of elements of is , the support is a.s. never correctly estimated by solving problem (26).
We now discuss in more details the influence of the weights on the probability to select false positives (Section 8.3.1) and to have false negatives (Section 8.3.2)
Let us consider a group of size which is outside of the support (i.e. ), and such that not other group intersecting it is selected. From the optimality condition (27)we see that if and only if
If we assume that , then setting
is an interesting choice because this is, at second order, the smallest possible rate that ensures that each group has a vanishingly small probability of being selected by chance. Indeed, on the one hand, so the usual Chernoff bound yields:
3.2 False negatives
These choices for allow to control for false positives, but it is interesting as well to ask which groups containing true non-zero elements will be selected, and which ones could be false negatives. For simplicity we assume that and that the noise is Gaussian as previously. If the fraction of non-zero elements in is and one assumes a null model under which group is unrelated to the nonzero pattern of then it is reasonable to model the number of non-zero elements in as a binomial random variable with . Using again the KKT conditions, if none of the groups intersecting is selected, we will have if and only if .
If and if is chosen of the previous form , then, for an appropriate choice of , namely , classical Chernoff bounds together with an analysis similar to that of the previous section shows that we have with probability decreasing exponentially in . Therefore in this model, groups selected can be interpreted as groups that are “enriched” in non-zero coefficients, where we call a group enriched if the number of non-zero coefficients in that group is significantly larger than for a random group of the same size. To put things differently the false negatives correspond to groups that do not have a significant number of non-zero elements.
This property is certainly a feature that can be desirable, especially in the applications in genomics that we have in mind where it is common to test for biological processes (or other groups of genes) that are enriched in “active genes”.
Note that if a group has elements in common with another selected group , the elements that are in are explained in part by and are therefore “discounted” for group , in the sense that we only need
A group is therefore selected if it contains enough non zero components that it itself explains.
It should be stressed that the previous analysis depends on the assumption that the components of are of the same order of magnitude and fails if the distribution of the entries of has a long tail.
Finally, the analysis presented in these last two sections is heuristic is nature. It is by no means aimed at proving that a specific weighting scheme can be chosen universally for all possible collections of groups , but rather solely motivated by the need for an initial set of criteria to guide this choice. It is likely that finer analyses, namely under high-dimensional scaling and dedicated to specific collections of groups are required to make more definite recommendations for the choice of the weights. It should be noted that a different view on the weights can be adopted by considering them as defined through a set function; this is the point of view adopted in Obozinski and F. (2011) which relates the behavior of to the set-function.
Graph Lasso
We now consider the situation where we have a simple undirected graph , where the set of vertices is the set of covariates and is a set of edges that connect covariates. We suppose that we wish to estimate a sparse model such that selected covariates tend to be connected to each other, i.e., form a limited number of connected components on the graph. An obvious approach is to use the norm where is a set that generates connected components by union. For example, we may consider for the set of edges, cliques, or small linear subgraphs. As an example, considering all edges, i.e., leads to :
Alternatively, we will consider in the experiments the set of all linear subgraphs of length . Although we have no formal statement on how to chose , it intuitively controls the size of the groups of connected variables which are selected, and should therefore be typically chosen to be slightly smaller than the size of the minimal connected component expected in the support of the model.
Experiments
To assess the performance of our method when either overlapping groups or a graph are provided as a priori information, and subsequently, to assess the influence of the weights , we considered several synthetic examples of regression model in which the structure of the model generating the data matches the prior on supports induced by the norm.
In this experiment, we simulated data with variables, covered by groups of variables with variables of overlap between two successive groups:
We chose the support of to be the union of groups and and sampled both the coefficients on the support and the offset from i.i.d. Gaussian variables. Note that in this setting, the support can be expressed as a union of groups, but not as the complement of a union. Therefore, our latent group Lasso penalty could recover the right support.
We report the empirical frequencies of the selection of each variable on Figure 6. For any choice of , the Lasso frequently misses some variables from the support, while does not miss any variable from the support on a large part of the regularization path. Besides, we observe that over the replicates, the Lasso never selects the exact correct pattern for . For , the right pattern is selected with low frequency on a small part of the regularization path. on the other hand selects it up to of the times for and more than on more than one third of the path for .
Figure 7 shows the root mean squared error for both methods and several values of . For both methods, the full regularization path is computed and tested on three replicates of training and testing points. We selected the best parameter in average and used it to train and test a model on a fourth replicate. For a large range of , not only helps to recover the right pattern, but also decreases the MSE compared to the classical Lasso.
2 Synthetic data: given linear graph structure
Figure 8 shows the frequency of each variable selection over replications. Here again, using a group prior improves pattern recovery, with better results as increases. However, for larger groups, two consecutive groups are very correlated, which makes it more difficult to identify the exact boundaries of the support.
3 Synthetic data: effect of the weights
As discussed in Section 8, the choice of a set of weights influences the variable selection behavior of the learning algorithm penalized by . At one extreme, if the weights are uniform, only groups that are included in no other can be selected. At the other extreme, for weights growing as the square root of the group size, the group-support selected will be composed (almost surely) of the smallest groups possible covering the support.
To illustrate the effect of the weighting scheme on covariate selection, we run three experiments with respectively covariates and training points. In each setting, the groups are all the sets of size from to formed by sequences of consecutive covariates, much like in 10.2 but with more groups. Note that this creates a lot of nested groups. The support is formed by covariates with indices from to and from to , i.e., covariates. The noise level is . For each of the three settings, we compare weighting schemes over replications. The first schemes follow (28) and assign to each group of size , with . We also try (the limit when grows) and . Note that and () correspond to the two extreme regimes in condition (C).
We evaluate the performance of the regularization in two different ways. First, we select by cross-validation the value of that yields the smallest MSE and return the corresponding value. Second, we return the best possible recovery error attainable on the entire regularization path. We consider these two criteria since it is known that the regularization regime corresponding to optimal support recovery and best MSE are not the same (Leng et al., 2004; Bach, 2008b).
Ideally, for support recovery, we would have to either use a theoretical value for or to use the OLS-hybrid two-step procedure (Efron et al., 2004) in which the models obtained in sequence along the regularization path are refitted with OLS and tested on a held out set to select the best model. This would obviously lead to a much heavier experimental setting, which is why we simply return the best performance along the path.
The results are shown in Table 1, 2 and 3. In each case, the best average MSE across the runs and along the regularization path is given along with the corresponding point on the regularization path (), average number of selected variables in the corresponding model (Model size∗), pattern recovery error of the selected model (Rec ) and lowest pattern recovery error along the regularization path (Rec err min). The pattern recovery error is the average of the proportion of covariates that were in the support and were not selected, and the proportion of covariates that were not in the support and were selected. The standard deviation is given for each measured quantity as well. The regularization path was approximated by a grid of values of between and . For Table 2, a longer grid of values starting at was used to make sure that the end of the regularization path was reached.
The last column of Table 1 illustrates the effect of the weighting scheme on pattern recovery.
The results of Table 1 correspond to , so that if is the size of the support, we have which means that the sample size is slightly too small for the Lasso to recover the support exactly. Note that as expected from the theory, the fifth column shows that the model selected based on the MSE is not optimal in term of variable selection. The fourth column shows that more uniform weights encourage the selection of more variables, which is expected given that they favor the selection of larger groups. Lastly, the values of the MSE suggest that in this regime of sparsity, dimension and number of training points, the performances in pattern recovery have little influence on the MSE, because there are enough training points to deal with the noise created by the selection of spurious covariates. Here again however, the two extreme regimes lead to higher MSE.
Figure 9 illustrates the influence of the weights on the selection behavior. As expected from theory, uniform weights () only allow selection of the largest groups i.e., chains of size while at the other extreme, for , only the small groups (singletons) are active. In intermediate regimes, all groups are active and allow to recover the correct support at some point on the regularization path, except which on this particular run doesn’t yield perfect recovery. More adequate choices of lead to correct recovery on a larger portion of the regularization path.
Table 2 corresponds to a harder regime, with fewer training points and in higher dimension. As in the first regime, the fourth and last columns shows that the weighting scheme has a significant influence on the variable selection behavior, with more uniform schemes leading to more variables selected, and a better pattern recovery being achieved for an intermediate scheme (). The reason for the optimal to be higher than in the previous regime may be that in higher dimension with less training points, it is not possible anymore to recover the fine structure of the true pattern and a better alternative is to select a less precise but more stable selection of larger groups. In terms of MSE, the minimum is reached for , and for all the other weightings the optimum is the last one in the grid, for which a large fraction of the covariates have entered the model.
In the last regime ( training points, dimensions), Table 3 shows that the best pattern recovery is performed with uniform weights, which suggests that at this level of noise, using the fine structure of the groups is more harmful than helpful, and that the best choice is to only use the largest groups. The same reasoning applies to the MSE.
4 Breast cancer data: pathway analysis
An important motivation for our method is the possibility to perform gene selection from microarray data using priors which are overlapping groups. Genes are known to modify each other’s expression through various regulation mechanisms. More generally, some genes are known to be involved in the same biological function, so the presence of a particular gene in a predictive models can be indicative of the presence of related genes. In other words, when we select one gene in our predictive model, we can expect that genes which are known to either regulate or to be regulated by this gene, or more generally to be involved in the same biological function should also be selected. Since an increasing amount of information on gene interaction is being gathered from empirical biological knowledge and organized in databases (Subramanian et al., 2005), our hope is to use this information to :
Functions involving a small number of pre-defined gene sets, form a smaller hypothesis sets in which we can hope to better estimate. Since genes present in the same biological function are likely to be either all involved in the studied phenomenon (disease outcome, subtype, response to a treatment) or all not involved, we can expect to find a function predicting the phenomenon correctly in this class.
Building sparse estimators has practical implications in this context because it is technically easier to measure the expression level of a small number of genes in a patient than a whole transcriptome. Selecting a small number of gene sets is a more robust procedure than selecting a small number of genes, because it is easy to spuriously select a gene from a noisy training set while the evidences add up for a set of genes. In addition, selecting a few genes that belong to the same functional groups could lead to increased interpretability of the signature.
To reach this goal we use our penalty with an (overlapping) predefined gene sets as groups. Several groupings of genes into gene sets are available in various databases. We use the canonical pathways from MSigDB (Subramanian et al., 2005) containing groups of genes, of which involve genes from our study. Among these, we restricted ourselves to the groups that contained less than genes. Indeed we observed empirically that keeping very large pathways in the penalty lead to poor regularization, which makes sense because the presence of very large groups allows the penalty to select a very large number of covariates at a low cost, partially breaking the purpose of regularization. As discussed in Section 8, it is possible to penalize large groups more heavily, but weighting cannot correct extreme size discrepancies such as combinations of groups of size two and groups of size . In addition, we are interested in identifying a small number of well defined biological functions that predict the outcome. Selecting a large pathway which contains one third of the genes would not be very informative.
We use the breast cancer dataset compiled by van de Vijver et al. (2002), which consists of gene expression data for genes in breast cancer tumors ( metastatic and non-metastatic). We restrict the analysis to the genes which are in at least one pathway. Since the dataset is very unbalanced, we use a balanced logistic loss, weighting each positive example by the proportion of negative examples and each negative example by the proportion of positive examples.
In our experiments on this very noisy dataset, we noticed that results changed a lot with the choice of the split, often more than between methods. In order to make sure that observed differences were actually caused by algorithms and not by particular choices of the foldings, we repeated each experiment on choices of the foldings, and show the result for each of these choices separately.
Table 6 shows the average number of genes involved in the model learned by each of the methods. As expected, selects more genes, since it enforces sparsity at the gene set level but doesn’t enforce sparsity at the gene level. Note however that the number of involved genes remains reasonable. As expected given the numbers of Table 5 the number of genes selected in the model learned by the weighted version of is even larger.
Finally, we should mention, as a caveat, that the regularization coefficient was chosen here to minimize the classification error, i.e., in a regime which typically overestimates the support. A more tedious two-stage approach allowing to remove the bias of the estimator, would probably lead to smaller supports, as suggested by the comparison of Rec Err and Rec Err Min in Tables 1,2 and 3.
5 Breast cancer data: graph analysis
Another important application of microarray data analysis is the search for potential drug targets. In order to identify genes which are related to a disease, one would like to find groups of genes forming densely connected components on a graph carrying biological information such as regulation, involvement in the same chain of metabolic reactions, or protein-protein interaction. Similarly to what is done in pathway analysis, Chuang et al. (2007) built a network by compiling several biological networks and performed such a graph analysis by identifying discriminant subnetworks in one step and using these subnetworks to learn a classifier in a separate step. We use this network and the approach described in section 9, treating all the edges on the network as groups of size two, on the breast cancer dataset. Here again, we restrict the data to the genes which are present in the network, and use the same correlation-based pre-processing as for the pathway analysis to reduce the set to 500 genes.
This gain of connectivity without loss of prediction accuracy could potentially make the interpretation of the classifier and the search for new drug targets easier in practice.
Conclusion
We have presented the latent group Lasso, a generalization of the group lasso penalty which leads to sparse models with sparsity patterns that are unions of pre-defined groups of covariates, or, given a graph of covariates, groups of connected covariates in the graph. We studied various properties of the penalty function, and gave both sufficient and necessary conditions for group-support recovery, i.e., the correct recovery of the same union of groups as in the decomposition induced by the penalty on the true optimal parameter vector. We have highlighted the importance of setting weights correctly, and obtained promising empirical results on both simulated and real data.
In future work it would be interesting to characterize further for which collections of groups the latent group Lasso penalty and the estimators obtained by regularizing with it are computable efficiently; which form of structures can be encoded via such collections; and what are the appropriate choice of weights in those cases, which will have to be determined based on specific analyses of the consistency of these estimators under high-dimensional scaling. Finally, more systematic comparisons with other group Lasso formulations, such as that proposed by Jenatton et al. (2009), would be important.
LJ gratefully acknowledges the support of the Stand Up to Cancer Program. JPV was supported by ANR grants ANR-07-BLAN-0311-03 and ANR-09-BLAN-0051-04. GO acknowledges funding from the European Research Council grant SIERRA: Project 239993. The authors would like to thank Rodophe Jenatton, Julien Mairal and Francis Bach for useful discussions.
References
A Proofs of Lemmata 21 and 22
Lemmata 21 and 22 are about the continuity of the correspondences and . In order to prove them, we start by reviewing general results in correspondence theory (Section A.1), notably Berge’s maximum theorem which is the main ingredient to prove the to lemmas. We prove Lemma 21 directly in Section A.2. We then prove several continuity properties of auxiliary correspondences in Section A.3 and A.4 in order to finally prove Lemma 22 in Section A.5.
We start with a couple of useful technical lemmas from correspondence theory.
If is a continuous function at and is a correspondence u.h.c. (resp. l.h.c.) at , then is a correspondence u.h.c. (resp. l.h.c.) at . If is a correspondence u.h.c. (resp. l.h.c.) at and is a continuous function on then is a correspondence u.h.c. (resp. l.h.c.) at .
Proof The proofs are straightforward from the definitions.
An elementwise product of u.h.c. (resp. l.h.c.) correspondences is itself u.h.c. (resp. l.h.c.).
Proof It is easy to check that a cartesian product of l.h.c. (resp. u.h.c.) correspondences has itself the same property. Moreover, the product is a continuous application, so the result is proved by Lemma 37.
We now state without proof the celebrated maximum theorem (Berge, 1959).
A.2 Proof of Lemma 21
The fact that is u.h.c. is also a direct consequence of Berge’s maximum theorem. We show this in the following two lemmata.
Proof We have with
The correspondence is compact-valued and u.h.c.
Proof Define and as in (29).
We have that since it can be shown easily that any optimal decomposition satisfies .
Since the previous lemma shows that is a compact-valued continuous correspondence, theorem 39 applies and proves the result.
and are u.h.c. correspondences.
Proof Since is u.h.c., by lemma 37, the continuity of shows that is u.h.c. and the continuity of \boldsymbol{\lambda}\mapsto\big{(}\sum_{g\ni i}\boldsymbol{\lambda}_{g}\big{)}_{1\leq i\leq p} shows that is u.h.c..
For all such that , is a singleton, and if we denote this unique value by then the function is uniquely defined in a neighborhood of and it is continuous at .
Proof Uniqueness of at such that is granted by the fact that if , then , is unique (cf lemma 9) and the proof of lemma 6 shows that . Thus, is unique, but so is for in a small neighborhood of since .
Moreover we have for any . Finally the upper hemicontinuity of shown in the previous lemma implies the continuity of .
is a lower hemicontinuous correspondence at .
Proof By definition of , if , then is unique by lemma 15, since . For any , ; indeed if , then . If , is unique and since is unique, the upper hemicontinuity of implies that is continuous at so that . If , then it has to be the case that , because it is indeed a possible value for (given that ) and because is unique. This implies that and since is unique, upper hemicontinuity of implies that is continuous at so that we have by continuity which proves that ; but this is a contradiction because this would imply and therefore .
which shows that defined by and is an optimal decomposition of with group-support . Since this is true for any and any , this proves the statement.
A.5 Proof of Lemma 22
We know from Lemma 41 that is a compact-valued u.h.c. correspondence. If then lemma 43 implies that for all , is unique for all in a neighborhood of . From lemma 44, this implies that is l.h.c at . This extends to since we know from Lemma 45 that there exists a neighborhood of zero such that, for all in that neighborhood, . Given that , since is l.h.c. from Lemma 21 and since a product of l.h.c. correspondences is l.h.c. (cf. Lemma 38), we have shown that is also l.h.c. at .
B Partial group-support recovery
Theorem 23, which only assumes hypothesis (H1), does not give a lower bound (in the sense of inclusion) for , suggesting that hypothesis (H2) is necessary to guarantee group-support recovery. In this section, we first consider an example in which is strictly included in .
However, the following lemma shows that the group-support recovered contains at least the group-support of one of the decomposition of the true support.
If is a sequence converging to , then denoting the group support of a decomposition , we have
Proof Reason by contradiction and assume that
We can therefore extract a subsequence with this property and the corresponding subsequence illustrating it. There exists at least one such that there are infinitely many elements in the subsequence which satisfies . We consider the subsequence composed of those elements. From the sequence , since we can assume without loss of generality it lives in the compact set , we can extract a converging subsequence . Since converges to and by upper hemicontinuity of the subsequence converges to an optimal decomposition of . This implies that which is a contradiction.
The simpler example with \mathcal{G}=\big{\{}\{1,2\},\{2,3\}\big{\}} and could be expected to be problematic since and have respectively group-support \big{\{}\{2,3\}\big{\}} and \big{\{}\{1,2\}\big{\}}. However, this case is consistent since it can be shown that and are almost surely non-zero, which implies that both groups are part of the group-support.
C Derivations for the illustrative examples
Assume that . Note that this case reduces to the case of \mathcal{G}=\big{\{}\{1,2\},\{2,3\}\big{\}}, which is of interest on its own. Eq. 30 simplifies and the singular points of the Lagrangian solve
We assume first that . Since, by complementary slackness, and , using (30), we have
So that or equivalently and by substitution in (32) we get respectively:
Substituting these expressions for and in the singular point equations (31), we get:
has a similar expression as , where the roles of and are exchanged. Finally, the decomposition is:
and the norm then takes the closed form . Remains to consider the cases where , or , which we do not develop here.
C.1.2 All groups are active
We first consider the case . By complementary slackness we have Introducing and , (30) rewrites as
which taking pairwise differences yields:
But since we have assumed , the solution found is only valid if no coordinate dominates in the sense that with
By re-substituting (35) in (30), we can solve for and find that
The unit ball of the norm therefore has some flat faces. Finally, since is an optimal decomposition of we have , the decomposition is unique and can be written
If , then one of or equals , and this reduces to the situation where only two groups are active which we considered in section C.1.1 above.
C.1.3 Closed form expression for the norm
Finally, summarizing the analysis, we obtain the closed form expression:
C.2 Graph Lasso for the cycle of length 4
We consider here the case where the groups are \mathcal{G}=\big{\{}\{1,2\},\{1,3\},\{2,4\},\{3,4\}\big{\}}. This case is interesting because we will show that non-sparse on the cycle always admit several optimal decompositions. The dual norm takes the form:
with and A singular point of the Lagrangian satisfies .
C.3 All groups are active
We first consider the case . By complementary slackness
Taking differences between pairs of equations above that share a common variable we get
Thus, isolating in both equations and eliminating it yields
Adding on both sides yields
Inserting this expression into the only equation of (36) which doesn’t contain we get
By symmetry, we get similar expressions for , , and . Since , we get immediately that
Clearly, in this case, is not invertible, and the kernel of is the span of . Since the matrix is symmetric, , and since , we have . The vector exists provided the pre-image of has a non-empty intersection with the positive orthant. Moreover, if all are positive then the solution is not unique. The Moore-Penrose pseudo-inverse of is
Since , the set of solutions is given by
for values of such that . The latter constraint implies that we necessarily have
W.l.o.g., we assume that . In that case the set of solutions in is parametrized by with
In particular, we see that setting or respectively removes and from the group-support of .
The case considered here is an example of the situation where the decomposition is not unique, which is characterised by lemma 48 in the next section.
D Uniqueness of the decomposition
In this section we give necessary and sufficient conditions for the support to be unique. As in lemma 44, we consider the incidence matrix of the groups defined by . As before we denote the strong group-support, and . Denote by the submatrix of whose rows are indexed by elements of the support of and whose columns are indexed by elements of .
The decomposition is unique if and only if has full row rank.
Proof By lemma 7, the uniqueness of the decomposition is equivalent to the uniqueness of the solution to problem (10), which we can rewrite
We now prove that being of full row rank is sufficient to ensure the uniqueness of the decomposition. Indeed, we show next that when is of full row rank, the hessian of the objective, restricted to the non-zero of (38) is positive definite, so that the objective is strictly convex and the optimum is therefore unique. The hessian is with
Since is a diagonal matrix with non-zero coefficients, is p.s.d. iff is full row rank which concludes the proof.