New duality in choices of feature spaces via kernel analysis
Abstract.
We present a systematic study of the family of positive definite (p.d.) kernels with the use of their associated feature maps and feature spaces. For a fixed set , generalizing Loewner, we make precise the corresponding partially ordered set of all p.d. kernels on , as well as a study of its global properties. This new analysis includes both results dealing with applications and concrete examples, including such general notions for as the structure of its partial order, its products, sums, and limits; as well as their Hilbert space-theoretic counterparts. For this purpose, we introduce a new duality for feature spaces, feature selections, and feature mappings. For our analysis, we further introduce a general notion of dual pairs of p.d. kernels. Three special classes of kernels are studied in detail: (a) the case when the reproducing kernel Hilbert spaces (RKHSs) may be chosen as Hilbert spaces of analytic functions, (b) when they are realized in spaces of Schwartz-distributions, and (c) arise as fractal limits. We further prove inverse theorems in which we derive results for the analysis of from the operator theory of specified counterpart-feature spaces. We present constructions of new p.d. kernels in two ways: (i) as limits of monotone families in , and (ii) as p.d. kernels which model fractal limits, i.e., are invariant with respect to certain iterated function systems (IFS)-transformations.
Key words and phrases:
Positive-definite kernel, feature space, feature selection, operator theory, reproducing kernel Hilbert space, Schwartz distributions, embedding problem, factorization, geometry, optimization, Principal Component Analysis, covariance kernels, kernel optimization, Gaussian process.2020 Mathematics Subject Classification:
Primary 46E22. Secondary 47B32, 41A65, 42A82, 42C15, 60G15, 68T07.1. Introduction
The purpose of this paper is to introduce a new duality for the study of feature spaces, feature selections, and feature mappings, which arise in diverse applications of kernel analysis of non-linear problems. Here, our use of the notion of “feature space” is in the sense of data science: it refers to the collections of features used to characterize the data at hand. By “feature selection,” we mean one or more techniques from machine learning, typically involving the choice of subsets of relevant features from the original set to enhance model performance. The term “feature mappings” refers to a technique in data analysis and machine learning for transforming input data from a lower-dimensional space to a higher-dimensional space using kernels, enabling easier analysis or classification. Choices of feature mapping involve constructions and optimization algorithms, which lead to the selection of specific functions. These mappings serve to transform the original data into a new set of features (feature spaces) that better capture the significant patterns in the data.
We consider families of positive definite (p.d.) kernels, defined on a product set , where is merely a set with no extra a priori structure. The positivity condition for (p.d.), Definition 2.1, was first studied by Aronszajn [Aro50] and his contemporaries (see also [PR16, AMP92, ZZ23, SBP23]).
Pairs arise in various contexts, including optimization, principal component analysis (PCA), partial differential equations (PDEs), and statistical inference. In stochastic models, the p.d. kernel often serves as a covariance kernel of a Gaussian field. We emphasize that the set does not lend itself to direct analysis; in particular, it does not come equipped with any linear structure. However, measurements performed on often lead to p.d. kernels . Moreover, then allows one to represent data from in a linear space, often referred to as a feature space.
We say that a pair represents a feature map, and a feature space if is a function from mapping into the Hilbert space in such a way that is recovered from the inner product in via ; see Proposition 3.3 below. There is a vast variety of choices of feature selections in the form , and Aronszajn’s reproducing kernel Hilbert space (RKHS), denoted as , is only one possibility.
In this paper, we introduce a new duality approach to the study of choices of feature selections, and apply it to particular p.d. kernels arising in both pure and applied mathematics. For related papers on feature selection, we refer to [JT23b, JST23, JT23a, AJ22, JT22, AJ21] as well as the references cited therein.
Organization. Our duality tools are outlined in detail below, and in more detail, in Section 3.1, especially Propositions 3.5 and 3.7. Section 4 deals with the need for choices of “bigger” spaces for implementation, which includes here choices of Hilbert spaces of Schwartz distributions, i.e., generalized functions. For optimization questions arising in practice, it is important to have useful ordering of families of kernels, as well as monotone limit theorems for kernels, and these two questions are addressed systematically in Section 6. Applications of our kernel duality principles and new transforms, are addressed in Section 7.
Applications. While our focus is primarily theoretical, kernel theory and optimization have had significant impact on practical applications, particularly in machine learning algorithms and big data analysis [NSW11, PDC+14, YTDMM11, Jon09, ZXZ09, MDL19, HSZ+19]. Beyond these areas, kernel methods have found relevance in fields such as statistical inference, quantum dynamics, perturbation theory, and operator algebras, with applications ranging from multiplicative change-of-measure algorithms to the analysis of coherent states and Fock spaces [AJP22, Gia21, AP20, DS20, DKS19, CCF16]. This versatility has sparked renewed interest in both the theoretical foundations and practical applications of kernels, leading to deeper understanding of inference techniques and optimization models [WK23, ZCH19, vdL96, AAARM24, HMBV24, Ste24, AA23, TXK23].
Our approach focuses on identifying duality principles to better understand feature spaces and their role in kernel methods. While the “kernel trick” in machine learning often bypasses explicit constructions of the ambient feature space, studying its structure offers a richer theoretical perspective. Insights into feature space flexibility, stability, and scalability can inform the design and optimization of kernels, enhancing algorithmic robustness and interpretability. This dual perspective bridges practical applications like clustering, support-vector machines, and principal component analysis with the broader mathematical framework, enabling more sophisticated kernel-based solutions for complex data problems.
2. Preliminaries
In this section we introduce the main notions which will be used inside the paper.
The concept of a kernel in machine learning is powerful tool used in in the design of Support Vector Machines (SVMs). A kernel is a function that operates on points from the input space, commonly referred to as the space. The primary role of this function is to return a scalar value, but a Hilbert space, called a reproducing kernel Hilbert space (RKHS). This higher-dimensional space, known as the space. It conveys how close or similar vectors are in the space The kernel allows one to glean the necessary information about the vectors in this more complex space without having to access the space directly. This approach allows one to understand the relationship and position of vectors in a higher-dimensional space and is a powerful tool for classification tasks.
In this section, we introduce fundamental definitions, along with selected lemmas and properties that serve as key building blocks for the paper.
Definition 2.1 (Positive definite).
Let be a set.
-
(1)
A function is said to be a positive definite (p.d.) kernel if, for all , all in , and all in , we have
-
(2)
Given a p.d. kernel , let be the Hilbert completion of the set , where , , with respect to the norm
is called the reproducing kernel Hilbert space (RKHS) of , and it has the reproducing property:
valid for all and .
Throughout this paper, all the Hilbert spaces are assumed separable.
Lemma 2.2 (Parseval frame).
Let be a Hilbert space, and . Suppose
(2.1) |
Then is an orthonormal basis (ONB) if and only if for all .
Proof.
Lemma 2.3 (Kernel representation).
Let be a p.d. kernel on .
-
(1)
A system of functions on is a Parseval frame for if and only if
(2.2) Moreover, when (2.2) holds, then for all .
-
(2)
Further, if all the ’s are distinct, i.e., each with multiplicity one, then is an ONB.
Proof.
Proposition 2.4 (Products of p.d. kernels).
Let and be p.d. kernels defined on . Set as follows: for . Then is also p.d. on .
Proof.
Pick the representation (2.2) for , and consider , (or ), , . Then we get the desired conclusion as follows:
where we used the p.d. property of in the last step. ∎
Lemma 2.6.
If is p.d. and , then , .
Proof.
Example 2.7.
Let be the Szegő kernel on , where . Then
in the sense of Definition 2.5, and so
More specifically,
Here, is the Bergman kernel.
Proposition 2.8 (Monotonicity).
Consider two pairs of p.d. kernels and , and form the product , . If , , then .
Proof.
By assumption, we get the following conclusion:
∎
3. Feature space realizations
The purpose of the present section is to outline key links connection the notions from Section 2 to the present applications. We outline the main connections between the key pure math notions (especially kernel-duality introduced above), and the applied notions, focusing on feature selection, feature maps, and kernel-machines.
With “feature selection” we refer to the part of machine learning that identifies the “best” insights into phenomena/observations. A feature is input, i.e., a measurable property of the phenomena. In statistical learning, features are often identified with choices of independent random variables, typically identically distributed (i.i.d.); see below. More generally, learning algorithms serve to identify features that yield better models. Features come in several forms, for example they might be numeric, or qualitative features. “Good” feature selections in turn let us identify the important or significant patterns that distinguish between data forms and instances. Indeed, as we recall, machine learning is truly multidisciplinary, as is reflected in for example, how features are viewed. Example: a geometric view, treating features as tuples, or vectors in a high-dimensional space, the feature space. Equally important is the probabilistic perspective, i.e., viewing features as multivariate random variables. The following references may be helpful, [AA23, BB23, Gia21, Jon09, MDL19, PDC+14, ZCH19], and [ZZ23]. An important part of the tools that go into feature selection in the statistical setting is known as principal component analysis (PCA) [CDD15]. It is a dimensionality reduction of features, i.e., a reduction of the dimensionality of large data sets. With the use of choices of covariance kernels, it allows one to transform large sets of variables into smaller ones that still contains most of the information in the large set; see e.g., [LCA+24].
As noted above, in applications such as data analysis, the initial set is general and typically unstructured. In particular, in applications, choices of sets may not have any linear structure. But, nonetheless, in the design of optimization models (for example in statistical inference, and in machine learning models), there will in fact be natural choices of families of positive definite (p.d.) kernels, specified on . Each such p.d. kernel will then yield an RKHS, denoted here . And does present one possible choice of feature space (Definition 3.1), but applications dictate a qualitative and quantitative comparison within the variety of feature spaces for a single p.d. kernel . In particular, we study the possibility of a second p.d. kernel, say , serving to generate a feature space for (Proposition 3.3.) These themes are addressed below. We further study operations on the variety of p.d. kernels, as they relate to feature space selection questions.
Definition 3.1 (Feature map, and feature space).
Given a p.d. kernel defined on a set , a Hilbert space is said to be a feature space for if there is a map , such that , for all . Set
Remark 3.2.
. Some basic examples include:
-
(1)
, (the RKHS of ), and .
-
(2)
, , where the Hilbert completion is with respect to
and .
-
(3)
, i.e., is a mean zero Gaussian field, realized in ; and .
More general constructions are considered below.
Proposition 3.3.
Given a p.d. kernel on , then for every Hilbert space with , there exists such that .
Proof.
Example 3.4.
Let be p.d., and the associated RKHS. Let be an ONB for .
-
(1)
Let be a sequence of i.i.d. Gaussian random variables, where , realized on a probability space . Here, one may take , equipped with the -algebra generated by the cylinder sets. Define
Then , and
-
(2)
The above holds, in particular, when is the reproducing kernel of the Bergman space , . For , ,
where is an ONB for . Setting
then
-
(3)
Choose to be any -space, e.g., . Then, with
we have
Here the variable is supposed.
3.1. A duality for feature selections
In Proposition 3.3, the case when is another RKHS is of particular interest in the analysis below, as it offers a certain symmetry between the two RKHSs and their feature selections. This is stated as follows:
Proposition 3.5 (duality).
Let be p.d. kernels on , and let be the corresponding RKHSs. Choose an ONB for , and for . Define the following vector-valued functions on :
Then,
Proof.
Note that are well defined since, by Lemma 2.3, for all . Moreover, for all ,
which is the desired conclusion. ∎
3.2. Operations
A key property in the choice of Hilbert spaces when constructing feature spaces for positive definite (p.d.) kernels is that tensor products behave well; specifically, the category of Hilbert space is closed under tensor product, meaning that the tensor product formed from two Hilbert spaces is a new and canonically defined Hilbert space, see e.g., [PR16]. Here we take advantage of this geometric fact, showing e.g., that if a p.d. kernel arises as a product (Proposition 2.4), then the feature spaces for arise as tensor products of the feature spaces for the respective factors and .
Proposition 3.7.
Let , , be p.d. kernels on , and let
(3.2) |
the Hadamard product. Suppose
(3.3) |
Set (as tensor product in the category of Hilbert spaces), and
(3.4) |
Then
Proof.
We have
∎
Proposition 3.8.
Let be an index set. Suppose , , and for all . Let , , and . Then, .
Proof.
Note is well defined if and only if , for all . By assumptions,
∎
Lemma 3.9 (sums of p.d. kernels).
Let , , be p.d. kernels on . Then it is immediate that is also p.d. Indeed with Definition 3.1, we have that for every , then
Proof.
∎
However, the RKHS from is not a direct sum Hilbert space. By [Aro50], has its norm-represented as
Indeed, the RKHS takes the form
where
4. Hilbert space of distributions
Above, in Sections 2 and 3, we introduced realizations via feature maps. Here we address the of “good” choices of feature spaces, in particular, we make precise the choices of “bigger” features spaces, taking the form of Hilbert spaces of Schwartz distributions.
The details below concern special families of p.d. kernels , and ways to make precise the corresponding feature spaces, including the form taken by the RKHS . This is motivated in part by an important paper by Laurent Schwartz [Sch64].
Theorem 4.1.
Let be a p.d. kernel on , where is open, and let be the corresponding RKHS. Suppose , and let be an ONB for , so that , where .
Let denote the space of Schwartz distributions with compact support in , i.e., is the Frechet dual of . Let
(4.1) |
with an ONB . The notation in (4.1) refers to a pair where is a p.d. kernel and is a Schwartz distribution. Then refers to the action of in the two variables of , i.e., on the left and on the right; see the cited literature. Here, the Hilbert completion is with respect to the inner product .
Set
then
i.e.,
Proof.
See Proposition 3.3. ∎
Example 4.2 ([Jor02]).
Let , defined on , where . The corresponding RKHS has an ONB .
Let , where is the derivative of the Dirac distribution . Note that , and
Define
(4.2) |
Let be the Hilbert completion of , then
(4.3) |
for which is an ONB. Set
then , by Theorem 4.1. Note that
Similarly, for any kernel that is defined by power series, we obtain as in (4.3), by adjusting the coefficients of . In particular, this applies to the kernel
Corollary 4.3.
Suppose , , with radius of convergence . Let , defined on , where . Set
and
Then .
5. Ordering of kernels and RKHSs
Since the choice of “good” features for kernel-machines depend on prior identification of kernels, it is clear that precise comparisons of kernels will be important. We stress ordering of kernels. Their role is addressed below, addressing the role played for feature selection by ordering between pairs kernels, and their implications for computations. Details will be addressed below.
The role of “ordering”, as we saw, arises for both issues dealing with feature selection, and from the role kernels play in geometry and in analysis. More generally, the question of order plays an important role in diverse methods used for building new reproducing kernel Hilbert spaces (RKHSs) from other Hilbert spaces with specified frame elements having specific properties. Such new constructions of RKHSs are used in turn within the framework of regularization theory, and in approximation theory; involving there such questions as semiparametric estimation, and multiscale schemes of regularization. Making use of the results from the previous two section, we turn below to a systematic analysis of these questions of ordering.
Returning to the general framework , where the set does not come with any particular structure, we now study the case when is fixed, and we examine the collection of all p.d. kernels defined on . A special feature of interest is that of deciding how the ordering of pairs of p.d. kernels relates to operators which map between the associated families of feature spaces, see Theorem 5.7. This study includes an identification of multipliers, see Corollary 5.8.
We first recall Aronszajn’s inclusion theorem, which states that, for two p.d. kernels on , if and only if is contractively contained in (see e.g., [Aro50]):
Theorem 5.1.
Let , , be p.d. kernels on . Then (bounded contained) if and only if there exists a constant such that . Moreover, for all .
This theorem is reformulated in Lemma 5.2 by means of quadratic forms. It is then extended in Theorem 5.7 to feature spaces.
Lemma 5.2.
Suppose are p.d. on , and . Let be the RKHS of .
-
(1)
Let . Define by
(5.1) and extend by linearity:
(5.2) Then extends to a bounded sesquilinear form on .
-
(2)
There exists a unique positive selfadjoint operator on , such that , and
(5.3) -
(3)
Especially,
(5.4)
Proof.
Corollary 5.3.
Assume are p.d. on , and . Let and be the corresponding RKHSs. Then
extends to an isometry from into .
Remark 5.4.
Let a pair of p.d. kernels satisfy the Loewner order relation (Definition 2.5.) Note that then the corresponding operator introduced in (5.4) and Corollary 5.3 will be bounded. However, Example 5.5 below (see (5.8)) illustrates that, in general, the inverse will be an unbounded operator. In applications to the theory of elliptic PDEs, the operator introduced in (5.4) and Corollary 5.3 may take the form of a “Greens function;” see e.g., [Nel58a, Nel58b].
Example 5.5.
Let , , defined on , where
Define
(5.6) |
Then
(5.7) |
Moreover, the inverse operator is given by
(5.8) |
where .
Proof of (5.7).
Recall that , and
Then,
∎
Remark 5.6.
If is the inclusion map, then the adjoint is given by . Therefore, the operator in (5.6) is precisely the contraction .
More generally, we have:
Theorem 5.7.
Let be p.d. kernels on , with and . Then if and only if there exists a positive selfadjoint operator on on , such that , and
Proof.
See the proof of Lemma 5.2. ∎
Corollary 5.8 (Multipliers).
Let be a p.d. kernel on and be the corresponding RKHS. For in the unit ball of , the function
is a p.d. kernel on if and only if is a contractive multiplier on , i.e., for all .
Proof.
Next, we focus on certain limit constructions of p.d. kernels.
Definition 5.9.
Given a set , let be the set of all p.d. kernels defined on .
Theorem 5.10.
Let , with for all . Assume that for all ,
(5.12) |
then the Hilbert completion
(5.13) |
is the RKHS of a limit p.d. kernel
(5.14) |
defined on .
Proof.
First note that, from (5.12), we get the following boundedness:
and so the sequence
is bounded in for .
For all , , , , set
(5.15) |
Since , it follows that
and that
Hence is well defined, and
In this case, for every ,
(5.16) |
and we have
∎
Remark 5.11.
Condition (5.12) is necessary for this construction. For example, consider on , where . Then
As an application we mention the following Cantor construction and a monotone kernel limit. While the example selects a particular scaling-iteration, the idea will apply more generally to a variety of iterated function system constructions (IFSs). For background on IFSs, see e.g., [JT23c, JS21].
Lemma 5.12.
Let , and extend it to by setting for . Define , and
(5.17) |
Then the limit (pointwise)
(5.18) |
is supported in the middle-third Cantor set . (See Figure 5.1 for an illustration.)

Proof.
Recall that is defined as follows: Let . Introduce two endomorphisms , where , . Set , and
Then
Note (5.17) is the dual construction for functions on the unit interval . ∎
Theorem 5.13.
Let be p.d. on with , such that
where is an ONB for the corresponding RKHS . Extend to by setting for , and set
Then the limit
is a p.d. kernel on .
Moreover, is invariant under the action of , where acts on a p.d. kernel on by
Proof.
By assumption, , . Note that
since
Therefore, is a well defined p.d. kernel, for all .

6. RKHS of analytic functions
As noted in Section 4, an identification of good kernels, and their corresponding RKHSs, depend on the particular function spaces that arise as RKHSs. The choices when the RKHSs consist of Hilbert spaces of analytic functions has received special attention in the earlier literature on the use of kernels in analysis. The section below outlines properties of RKHSs realized as Hilbert spaces of analytic functions, and their role in our present applications.
The focus of our analysis below is the case when the RKHS will be Hilbert spaces of analytic function, defined on an open domain in for some .
Definition 6.1.
Let be an open subset in and let be a -valued p.d. function on . We say that is analytic if the corresponding RKHS consists of analytic functions on .
Remark 6.2.
We note that there are other definitions in the literature which make precise this property of analyticity, and it follows from our discussion that they are equivalent to the present one.
Note that Definition 6.1 makes it clear that the following three familiar classes of p.d. kernels are analytic: The cases when is a Szegő kernel, or a Bergman kernel, or Bargmann’s kernel [Ber55, BB23, SS17]. In these cases, the respective RKHSs are the Hardy space , the Bergman space , or Bargmann’s Hilbert space of entire analytic functions on , also called the Segal-Bargmann space. For the literature, we refer to [LG20, Alp15, ADR03, Kis23, Has21, CCL17], and we call attention to the Drury-Arveson kernel [Arv98] as generalization of the Szego/Bergman case.
Example 6.3 (Bergman = ).
Recall the Szegő kernel
and the Bergman kernel
Here, we have
i.e., . By the discussion above, we have
where is the operator in (6.1). Specifically,
(6.1) |
where
Remark 6.4.
Note this covers a lot of the kernels we considered, such as
-
(1)
:
-
(2)
defined for , where
-
(3)
The Bargmann kernel:
This leads to an RKHS consisting of all entire functions on with norm
(6.2) Here, , .
Remark 6.5.
Comparing kernels is relatively straightforward,
(6.3) |
while comparing the associated Hilbert spaces is intriguing. The challenge lies in understanding how the embedding or inclusion of one RKHS into another reflects the geometry of the underlying kernels. For instance, the inclusion involves not just the kernels’ positivity but also their interaction with the data, operator norms, and potential scaling factors. Moreover, the relationship between the norms of the two spaces is critical, as it determines the stability and sensitivity of algorithms using these spaces. This makes the comparison of RKHSs more than a direct numerical or functional comparison—it becomes a study of their geometry, boundedness properties, and the behavior of operators that map between them.
For example,
(Hardy space) vs (Bergman space), | (6.4) |
see the discussion above.
Now, consider feature maps and feature spaces:
(6.5) |
We may also consider the following two variants of :
Definition 6.6.
Given , p.d. in , set
(6.6) |
(6.7) |
6.1. Three kernels of -Hardy spaces
Here, , in a complex variable , the unit disk in .
Summary:
-
(1)
Coefficients in the scalar :
-
(2)
Coefficients in a fixed Hilbert space :
-
(3)
Coefficients in the Hilbert-Schmidt class , where is the space of all bounded operators in :
Correspondences, transforms: , . Recall a Kaczmarz system of projections yields operators s.t. . See e.g., [JST23, HJW20, JST20] for additional details.
6.2. Realization using tensor product of Hilbert spaces
Recall that
(6.8) |
Consider case (3) from above, i.e., , then for ,
where denotes the inner product in , and
where is the operator norm.
Trace-norm: Pick an ONB in , then
for when is trace-class.
7. -duality via the RKHS
The present final section addresses a list of direct links between kernel properties, and the role they play in feature selection.
7.1. Dirac-masses and
In the below we consider the role of the Dirac masses in reproducing kernel Hilbert space when is a general p.d. kernel defined on . Specifically, we show that the completion of the span of the -Dirac masses identifies as a realization of all bounded linear functionals on .
Theorem 7.1.
Fix , assumed p.d. on . Let
(7.1) |
where
(7.2) |
Then
(7.3) |
Proof.
Every bounded linear functional on is given by a unique in , and is the limit of a sequence in . Using the correspondence
is Cauchy in , and it converges to some . Note, by (7.2),
We note that Theorem 7.1 follows from the Riesz Representation Theorem. However, we include this theorem to explicitly establish the equivalence between , the dual space of , and , the completion of the span of Dirac masses. The point is to explicitly show how the RKHS structure and kernel properties are used for this identification (see (7.3)). In Corollary 7.3 below, we use this to construct explicit bases for and for the kernel , where the representation of the Dirac delta function gives a concrete realization of .
Corollary 7.2.
Fix p.d. on . The following are equivalent:
-
(1)
.
-
(2)
is contractively contained in .
-
(3)
is contractively contained in .
Moreover, is dense in if and only if is dense in .
Corollary 7.3.
Let , and
where
Then
(7.4) | ||||
(7.5) |
where
Further, for all ,
(7.6) |
7.2. A -transform and
The following result is motivated by the special case when p.d. kernels arise as Greens functions. In more detail, recall from the context of PDEs, Greens functions arise as “inverse” to positive elliptic operators, see e.g., [Nel58b, KL21, BGG99, Hil98]. Since, for these cases, therefore p.d. kernels arise as inverses of elliptic PDEs, it seems natural, in our present general framework of , to ask for a precise form of .
Starting with , and introduce functions (the RKHS), and signed measures on s.t. .
Recall that the following are equivalent:
(7.7) | |||
(7.8) |
So we get a pre-Hilbert space
and
(7.9) |
where
(7.10) | |||||||
(7.11) |
So we have a well defined operator , and we can use it to make precise . So gets a precise definition via .
Proposition 7.4.
Fix . We have:
(7.13) | ||||
(7.14) |
where is a Penrose-inverse (see e.g., [MWS25]) to where is interpreted as a kernel operator.
Proof.
We must show the following identity for the respective inner products on , :
(7.15) |
Using (7.14), we arrive at the following:
Note that when is acting via Penrose inverse on the function , the result is a signed measure, and that is the interpretation used in the statement of the Proposition. ∎
Of special significance to the above discussion are the following citations [JST23, JT23b, MWS25, PDC+14, TXK23, ZCH19].
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