Optimal Monte Carlo Methods for $L^2$-Approximation
David Krieg

TL;DR
This paper develops Monte Carlo algorithms for $L^2$-approximation in Hilbert spaces that achieve optimal convergence rates using limited function samples, matching the performance of any linear information-based method.
Contribution
It introduces Monte Carlo methods that attain optimal error rates for $L^2$-approximation with minimal function evaluations, matching the best linear information algorithms.
Findings
Monte Carlo methods achieve optimal convergence rates.
Error behavior matches that of any linear information sampling algorithm.
Methods are effective for multivariate functions in Hilbert spaces.
Abstract
We construct Monte Carlo methods for the -approximation in Hilbert spaces of multivariate functions sampling no more than function values of the target function. Their errors catch up with the rate of convergence and the preasymptotic behavior of the error of any algorithm sampling pieces of arbitrary linear information, including function values.
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Taxonomy
TopicsMathematical Approximation and Integration · Mathematical functions and polynomials · Statistical and numerical algorithms
Optimal Monte Carlo methods for -approximation
David Krieg
Mathematisches Institut, Universität Jena
Ernst-Abbe-Platz 2, 07743 Jena, Germany
Abstract
We construct Monte Carlo methods for the -approximation in Hilbert spaces of multivariate functions sampling not more than function values of the target function. Their errors catch up with the rate of convergence and the preasymptotic behavior of the error of any algorithm sampling pieces of arbitrary linear information, including function values.
AMS classification: 41A25, 41A63, 65C05, 65D15, 65D30, 68Q25, 65Y20.
Key words: Approximation of multivariate functions, Monte Carlo methods, optimal order of convergence, preasymptotic estimates, multivariate integration.
1 Introduction
Assume we want to approximate an unknown real or complex valued function on a set based on a finite number of function values which may be evaluated at randomly and adaptively chosen points. In general, these function values do not determine the function uniquely and so we cannot expect our approximation to be correct. We make an approximation error which we measure in the space of quadratically integrable functions on with respect to an arbitrary measure . In order to make any meaningful statement regarding this error, we need to have additional a priori knowledge of the unknown function. Here, we assume structural knowledge of the form that it is contained in the unit ball of a Hilbert space which is compactly embedded in . For instance, it may be bounded with respect to some Sobolev norm on a compact manifold . The error of the randomized algorithm or Monte Carlo method is the quantity
[TABLE]
The error of an optimal randomized algorithm that ask for at most function values is denoted by
[TABLE]
While it seems impossible to provide such algorithms, the optimal deterministic algorithm evaluating arbitrary linear functionals is well known. It is given by the orthogonal projection onto the span of the first functions in the singular value decomposition of the embedding . Its worst case error is the -st largest singular value or approximation number of that embedding, the square root of the -st largest eigenvalue of the operator .
The algorithm asks for the first coefficients of with respect to the singular value decomposition of the embedding . In most applications, however, it is not possible to sample these coefficients and we may only make use of function values. This leads to the following questions:
- •
How does the error of optimal randomized algorithms using function values compare to the the error of the orthogonal projection ?
- •
If possible, find a randomized algorithm whose error is close to .
These are not new questions in the fields of Monte Carlo methods and information-based complexity. There are several results for particular spaces where behaves similarly to the error of . See, for instance, Traub, Wasilkowski and Woźniakowski [20], Mathé [13] and Heinrich [5]. Results by Cohen, Davenport and Leviatan [2] and Cohen and Migliorati [3] contain a similar message, see Remark 3. In 1992, Novak [16] proved that
[TABLE]
holds for arbitrary spaces . This means that optimal randomized algorithms using function values are never much better than the orthogonal projection . On the other hand, Wasilkowski and Woźniakowski [23] proved in 2006 that
[TABLE]
for all and . Here, we write if there is some and such that for all . If and , we write . This means that optimal randomized algorithms using function values are always almost as good as the orthogonal projection . The proof of this result is constructive. It raises the question whether the additional power of the double logarithm is necessary or not. In fact, Novak and Woźniakowski showed in 2012 that this is not the case for , that is
[TABLE]
for all . The proof of this result, however, is not constructive. Both proofs can be found in their monograph [18, Chapter 22]. In the present paper, we prove the corresponding statement for . More generally, we consider upper bounds with the following property. We say that the sequence is regularly decreasing if there is some such that
[TABLE]
If there is some such that is nonincreasing for , this is equivalent to . Property (1) is satisfied if is nondecreasing. The sequence
[TABLE]
is regularly decreasing for any and . It satisfies (1) for . Another example is
[TABLE]
for any , which satisfies (1) for . The sequence is not regularly decreasing if it decays exponentially or has huge jumps. We obtain the following result.
Theorem 1**.**
If is regularly decreasing, then
[TABLE]
This solves Open Problem 99 as posed by Novak and Woźniakowski in [18]. One problem with this result is that it does not provide any algorithm, it only states the existence of good algorithms. Another problem is that the error bound is only asymptotic. The preasymptotic behavior of may, however, be very different from its asymptotic behavior. This is typically the case if the set is a domain in high dimensional euclidean space.
These problems are tackled by Theorem 2. In Section 3, we provide a randomized algorithm for any and . This algorithm is a refinement of the algorithm proposed by Wasilkowski and Woźniakowski [23]. It asks for at most function values and satisfies the following error bound.
Theorem 2**.**
Assume that satisfies (1) and let .
[TABLE]
The constant only depends on the order . If is a domain in -dimensional euclidean space, this order is often independent of or even strictly decreasing with . See Section 3 for the definition of this algorithm and several examples.
We find that the error of randomized algorithms using function values of the target function can get very close to the error of the orthogonal projection and that this is achieved by the algorithm .
In Section 4, we use these algorithms for the integration of functions in with respect to probability measures . We simply exploit the relation
[TABLE]
We compute the integral of and use a direct simulation to approximate the integral of –, which has a small variance. This technique is called variance reduction and widely used for Monte Carlo integration. See Heinrich [5, Theorem 5.3] for another example. Even if is a high dimensional domain, the resulting method can significantly improve on the error of a sole direct simulation for a relatively small number of samples.
These results are based on the a priori knowledge that our target function is contained in the unit ball of the space . In Section 5, we discuss how this assumption can be weakened.
2 The Setting
Let be a measure space and . The space is the space of quadratically integrable -valued functions on , equipped with the scalar product
[TABLE]
Let be a second Hilbert space and be its unit ball. We assume that is a subset of and that
[TABLE]
is compact. With the embedding we associate a positive semi-definite and compact operator on the space . By the spectral theorem, there is a (possibly finite) orthogonal basis of , consisting of eigenvectors corresponding to a nonincreasing zero sequence of eigenvalues of . Let be the cardinality of . One can easily check that is orthogonal in , as well. We take the eigenvectors to be normalized in . We call this basis the singular value decomposition of .111 This term is more commonly used to refer to the representation of the compact operator. Here, the altered terminology shall ease the notation. The number is called its -th singular value or approximation number.
The worst case error of a deterministic algorithm is the quantity
[TABLE]
The worst case error of a measurable randomized algorithm
[TABLE]
where is the sample space of some probability space , is the quantity
[TABLE]
We usually skip the in the notation. See Novak and Woźniakowski [17, Chapter 4] for a precise definition of such algorithms. We furthermore define the following minimal worst case errors within certain classes of algorithms.
The quantity
[TABLE]
is the minimal worst case error within the class of all deterministic algorithms evaluating at most linear functionals of the input function.
The quantity
[TABLE]
is the minimal worst case error within the class of all measurable randomized algorithms evaluating at most linear functionals.
The quantity
[TABLE]
is the minimal worst case error within the class of all deterministic algorithms evaluating at most function values of the input function.
The quantity
[TABLE]
finally is the minimal worst case error within the class of all measurable randomized algorithms evaluating at most function values. This is the error to be analyzed. It was proven by Novak [16] that
[TABLE]
The error is known to coincide with . We refer to Novak and Woźniakowski [17, Section 4.2.3]. The infimum is attained for the nonadaptive linear algorithm
[TABLE]
Here, denotes the logarithm of in base 2, whereas denotes its natural logarithm. The minimum of and is denoted by . Recall that we write , if there is a positive constant and some such that for all . We write if and .
3 A Method for Multivariate Approximation
Let us keep the notation of the previous section. For any with , we define
[TABLE]
This is a probability density with respect to . We consider the probability measure
[TABLE]
on . In view of optimal algorithms in , we introduce the following family of algorithms in .
Algorithm**.**
Let and be sequences of nonnegative integers such that is nondecreasing and bounded above by . We define the algorithms for as follows.
- •
Set .
- •
For and , let be random variables with distribution that are each independent of all the other random variables and set
[TABLE]
Note that the expectation of each term in the inner sum is . The algorithm hence approximates in steps. In the first step, function values of are used for standard Monte Carlo type approximations of its leading coefficients with respect to the orthonormal system . In the second step, values of the residue are used for standard Monte Carlo type approximations of its leading coefficients and so on. In total, uses function values of . The total number of approximated coefficients is .
Algorithms of this type have already been studied by Wasilkowski and Woźniakowski in [23]. The simple but crucial difference with the above algorithms is the variable number of nodes in each approximation step. Note that this stepwise approximation is similar to several multilevel Monte Carlo methods as introduced by Heinrich in 1998, see [4].
The benefit from the -th step is controlled by and as follows.
Lemma 1**.**
For all nondecreasing sequences and of nonnegative integers and all , we have
[TABLE]
Lemma 1 corresponds to Theorem 22.14 by Novak and Woźniakowski [18]. The setting of the present paper is slightly more general, but the proof is the same. Since Lemma 1 is essential for the following investigation, I present the proof.
Proof.
The lower bound holds true, since is perpendicular to . To prove the upper bound, let . By we denote the expectation with respect to the random variables for and . We need to estimate
[TABLE]
On the one hand, we have
[TABLE]
We use the abbreviation
[TABLE]
for each . Note that implies and we set in this case. We then obtain on the other hand for each that
[TABLE]
and hence
[TABLE]
With Fubini’s theorem this yields that
[TABLE]
and the upper bound is proven. ∎
We now define the algorithm of Theorem 2. We consider such algorithms , where the number of nodes is doubled in each step and the ratio of approximated coefficients and computed function values is constant, say . This way, the total number of approximated coefficients is linear in the total number of computed function values. This is necessary to achieve an error of the same order as with optimal algorithms using arbitrary linear information, which precisely compute the first coefficients. The algorithms by Wasilkowski and Woźniakowski [23] do not have this property. If the ratio is small enough, Lemma 1 ensures that inherits optimal error bounds from .
Algorithm**.**
Given , we set and define the sequences and by
[TABLE]
For , we choose such that and set
[TABLE]
The algorithm obviously performs less than function evaluations.
Proof of Theorem 2.
Let and be defined as above and . We first show that
[TABLE]
where . We use induction on . If , we have and
[TABLE]
For , we inductively obtain with Lemma 1 that
[TABLE]
where the term in brackets is smaller than 1. This shows (3). For , we choose with and obtain
[TABLE]
as it was to be proven. ∎
Note that Theorem 1 is a direct consequence of Theorem 2. Of course, the best possible upper bound for is itself. If we combine Theorem 1 for with Novak’s lower bound (2), we obtain the following statement on the order of convergence.
Corollary 1**.**
Assume that . Then
[TABLE]
Note that the error of optimal deterministic algorithms based on function values may perform much worse, as shown by Hinrichs, Novak and Vybíral [7], see also Novak and Woźniakowski [18, Section 26.6.1]. It is a very interesting question whether the condition on the decay of the singular values can be relaxed. Note that we use this condition both to prove the upper and the lower bound of Corollary 1. On the other hand, if we combine Theorem 2 for and the lower bound (2), we obtain the following optimality result.
Corollary 2**.**
Assume that there is some such that holds for all . We set . Then we have
[TABLE]
Let us now consider some examples. In each example, we first discuss the order of convergence of . We then talk about explicit upper bounds.
Example 1** (Approximation of mixed order Sobolev functions on the torus).**
Let be the -dimensional torus , represented by the unit cube , where opposite faces are identified. Let be the Borel -algebra on and the Lebesgue measure. Let be the Sobolev space of complex valued functions on with dominating mixed smoothness , equipped with the scalar product
[TABLE]
We know that
[TABLE]
This classical result goes back to Babenko [1] and Mityagin [14]. Corollary 1 yields
[TABLE]
This is a new result. The optimal order is achieved by the algorithm and the author does not know of any other algorithm with this property. It is still an open problem whether the same rate can be achieved with deterministic algorithms based on function values. So far, it is only known that
[TABLE]
The upper bound is achieved by Smolyak’s algorithm, see Sickel and Ullrich [19].
We now turn to explicit estimates. We know that there is some such that
[TABLE]
This upper bound is optimal as tends to infinity. However, it is not useful to describe the error numbers for small values of . Simple calculus shows that the right hand side in (5) is increasing for . The error numbers, on the other hand, are decreasing. Moreover, the right hand side attains its minimum for if restricted to and is hence larger than . This means that the trivial upper bound
[TABLE]
is better than (5) for all and regardless of the value of . For these reasons, it is important to consider different error bounds, if the dimension is large. See also the paper of Kühn, Sickel and Ullrich [12]. Based on this paper, it is shown by the author [9] that
[TABLE]
We obtain with Theorem 2 that
[TABLE]
Example 2** (Approximation of mixed order Sobolev functions on the cube).**
Now, let be the -dimensional unit cube with the induced topology and let be the Borel -algebra and the Lebesgue measure. Let be the Sobolev space of complex valued functions on with dominating mixed smoothness , equipped with the scalar product (4). Just like on the torus, we have
[TABLE]
where the optimal rate is achieved by . Like in Example 1, the corresponding upper bounds are bad for . In this range, we need different estimates for the approximation numbers. It is known that
[TABLE]
This estimate cannot be improved significantly for , even if . See the author’s paper [9] for more details. With Theorem 2, we obtain the upper bound
[TABLE]
Example 3** (Approximation in tensor product spaces).**
This example is more general than the previous ones. By we denote the tensor product of two Hilbert spaces and . For let be a -finite measure space and be a Hilbert space of -valued functions which is compactly embedded in . The -finity of the measure spaces ensures that
[TABLE]
where is the Cartesian product of the sets and is the unique product measure of the measures on the tensor product of the -algebras . The tensor product space
[TABLE]
is compactly embedded in . Assuming that the approximation numbers of the univariate embeddings are of polynomial decay, that is
[TABLE]
for some , it can be derived from Mityagin [14] and Nikol’skaya [15] that
[TABLE]
where is the minimum among all numbers and is its multiplicity. Corollary 1 implies
[TABLE]
where the optimal order is achieved by . We do not discuss explicit estimates in this abstract setting.
Example 4** (Approximation of isotropic Sobolev functions on the torus).**
Let again be the -torus, this time represented by . Let be the Sobolev space of complex valued functions on with isotropic smoothness , equipped with the scalar product
[TABLE]
This example is not a tensor product problem. For this classical problem, it is known that
[TABLE]
for . In the case , where function values are only defined almost everywhere, the last three relations stay valid. See Jerome [8], Triebel [21], Mathé [13] and Heinrich [6]. For , however, the function is not suited to describe the behavior of . It has been proven by Kühn, Mayer and Ullrich [11] that there are positive constants and that do not depend on such that
[TABLE]
for all and with . If we apply Relation (2) and Theorem 2222We take as the right hand side in (7) for , for and for . Then for and is nondecreasing., we obtain the existence of -independent positive constants and such that
[TABLE]
for all and with . This optimal behavior is achieved by the algorithm .
Remark 1** (Implementation of these algorithms).**
The construction of the algorithms is completely explicit. We are able to implement these algorithms, if we know the singular value decomposition of the embedding and if we are able to sample from the probability distributions . This task may be very hard. In Example 1 and 4, however, it is not. Here, is the Fourier basis of and all the random variables are independent and uniformly distributed on the unit cube. Also the case of general tensor product spaces and can be handled, if the singular value decompositions of the univariate embeddings are known. Then, the singular value decomposition of the embedding is given by
[TABLE]
and the probability measure is the average of product densities, that is
[TABLE]
where with some . A random sample from this distribution can be obtained as follows:
- (1)
Get from the uniform distribution on .
- (2)
Get independently from the probability distributions .
The second step can for example be done by rejection sampling, if the measures have a bounded Lebesgue density. This way, the total sampling costs are linear in . Another method of sampling from is proposed by Cohen and Migliorati in [3, Section 5].
4 A Method for Multivariate Integration
In this section, we require the measure to be finite. This ensures that the integral operator
[TABLE]
is well defined and continuous on . Let us assume that is a probability measure. We want to approximate for an unknown function by a randomized algorithm which evaluates at most function values of . The worst case error of is the quantity
[TABLE]
The minimal worst case error among such algorithms is denoted by
[TABLE]
Like any method for -approximation, the algorithm from Section 3 can also be used for numerical integration.
Algorithm**.**
For all , any and , let
[TABLE]
where are random variables with distribution which are independent of each other and the random variables in .
It is easy to verify that is unbiased, evaluates at most function values of and satisfies
[TABLE]
for each in . We thus obtain the following corollary.
Corollary 3**.**
Assume that satisfies (1) and let .
[TABLE]
In particular:
[TABLE]
The result on the order of convergence is quite general but not always optimal. An example is given by integration with respect to the Lebesgue measure on the Sobolev space with dominating mixed smoothness on the -dimensional unit cube, as treated by Novak and the author [10] and Ullrich [22]. In this case, we have
[TABLE]
The main strength of Corollary 3 is that it provides us with unbiased methods for high dimensional integration achieving a small error with a modest number of function values.
Example 5** (Integration of mixed order Sobolev functions on the torus).**
Like in Example 1, let be the Sobolev space of dominating mixed smoothness on the -torus and let be the Lebesgue measure. Among all randomized algorithms for multivariate integration in the randomized Frolov algorithm is known to have the optimal error rate. It is shown by Ullrich [22] that there is some constant such that
[TABLE]
However, this estimate is trivial, if is not exponentially large in . For smaller values of , an error less than one is guaranteed by the direct simulation
[TABLE]
with independent and uniformly distributed random variables . It satisfies
[TABLE]
However, this error bound converges only slowly, as tends to infinity. It does not reflect the smoothness of the integrands at all. The above method also guarantees nontrivial error bounds for smaller values of , but converges faster than . Relation (6) immediately yields that
[TABLE]
with and . For example, let and . For one million function values, the estimate (8) for the Frolov algorithm is larger than one, the estimate (9) for the direct simulation gives the error and the estimate (10) for our new algorithm gives an error smaller than .
Remark 2** (Implementation of these algorithms).**
We are able to implement the algorithms under the following assumptions:
- •
We are able to implement . This issue is discussed in Remark 1.
- •
We know the integrals of the eigenfunctions for all .
- •
We can sample from the probability distribution .
In the above example, the implementation is particularly easy, since is the Fourier basis and all the random variables are independent and uniformly distributed on the unit cube.
5 A weaker type of a priori knowledge
In the previous sections, we assumed that the target function is contained in the unit ball of a Hilbert space which is compactly embedded into , that is
[TABLE]
As we have seen in Section 2, the space induces a nonincreasing sequence , the singular numbers
[TABLE]
of the embedding . This sequence is either finite or tends to zero. It also induces a nested sequence of subspaces
[TABLE]
where is spanned by the first elements of the singular value decomposition.
In turn, any such pair induces a Hilbert space which is compactly embedded into . We choose as an element of the orthogonal complement of in with and define by its orthonormal basis . It has the scalar product
[TABLE]
where we take the sum over the whole sequence . It is not hard to see that the correspondence between and the pair is bijective up to the choice of the spaces for which we have .
Let denote the orthogonal projection onto in . It is readily verified that our assumption (11) on the target function implies that
[TABLE]
In general, however, (12) is strictly weaker than (11). For example, if for , the function
[TABLE]
satisfies (12) but is not even contained in the space . In Section 3, we constructed a randomized algorithm and proved upper bounds on the mean square error for any from (11). In fact, the same error bounds hold for any from (12). We state this as Theorem 3.
Theorem 3**.**
Let be a measure space and . For any let be an -dimensional subspace of such that and let be the orthogonal projection onto . Assume that satisfies
[TABLE]
with some . Then the randomized algorithm as defined below satisfies
[TABLE]
for any and . The number of requested function values is at most
[TABLE]
To define the algorithm we choose in the orthogonal complement of in with for all . For , we set
[TABLE]
Then the method for can be defined as in Section 3. Given for some , we define .
Proof.
We only sketch the proof since it is very similar to the proof of Theorem 2. Just like in Lemma 1, we can show for any that
[TABLE]
The statement follows by induction on . ∎
Note that we did not impose any condition on the upper bound . If is regularly decreasing, the maximum in (14) is bounded by a constant which does not depend on . Roughly speaking, the algorithm admits a mean square error of order with a sample size of order for any from (13).
Remark 3** (Optimal approximation within a subspace).**
Let be a Borel subset of with positive Lebesgue measure, be the Borel sigma algebra on and be a probability measure on . The best approximation of within the subspace is given by . Its error is given by the number
[TABLE]
In general, we cannot find by sampling only a finite number of function values of . What we can provide, is a random approximation within whose root mean square error
[TABLE]
is close to . If we know the numbers for all (or some good upper bound) and if they are regularly decreasing, we can choose as the output of the method from Theorem 3, which uses a sample size of order . But even if we do not know anything about , we can still find an approximation like above. We only need the mild assumption that consists of functions defined everywhere on and that for each , there is some with . We can then choose as the output of a weighted least squares method, see Cohen and Migliorati [3, Theorem 2.1 (iv)]. The sample size of this method, however, is at least of order . In both cases, the involved proportionality constants are independent of the dimension of the domain .
Acknowledgements**.**
I wish to thank Erich Novak, Robert Kunsch, Winfried Sickel and two anonymous referees, whose comments and questions led to the present generality of the theorems.
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