Space Discretisation with Sparse Grids Sam Maurus Faculty of Informatics, Technical University of Munich Boltzmannstr. 3, D-85748 Garching, Germany maurus@in.tum.de Abstract—Many problems in scientific computing exhibit high dimensionality. Attempts to solve such problems using conventional discretisation techniques are typically hampered by the so-called ‘curse of dimensionality’. Sparse grids provide a general and flexible means for discretising a high-dimensional problem space that remedies the curse at least to some extent. This paper outlines the theoretical fundamentals of sparse grids and presents some approaches in which sparse grids can be constructed and applied in various applications of scientific computing. Index Terms—sparse grids, nodal basis, hierarchical basis, direct sparse grid approach, sparse grid combination technique, curse of dimensionality 1. INTRODUCTION In 1961 Richard Bellman coined the term curse of dimensionality, describing it as ‘a malediction that has plagued the scientist from the earliest days’ [2]. In the context of scientific computing, the term refers to the tractability problems caused by the exponential dependence between the computational cost of approximating (and representing) a fixed-accuracy solution and the problem dimensionality π . That is, increasing the number of dimensions in the problem exponentially increases the cost of solving the problem to the same level of accuracy. Depending on the nature of the problem, tractability issues can typically be seen starting at three, four or five dimensions [17]. Attempting to apply classical discretisation techniques to problems with a higher number of dimensions results in computational requirements that quickly overwhelm even the most state-of-the-art machines. Examples of problems with a high dimension count are found in finance (pricing of options/derivatives) [3], data mining [4], stochastic differential equations [10] and quantum mechanics (e.g. the electronic Schrödinger’s equation for molecules like water or ammonia, which contains 30 dimensions) [5]. In this paper I provide the reader with detail in a number of sparse grid fundamentals. I begin in Section 2 by describing the curse of dimensionality and how it is inevitably encountered when using naive discretisation approaches in high-dimensional problem spaces. A simple example is provided to give a real-world perspective on its effects. In Section 3 I illustrate the concepts of nodal and hierarchical bases. The formulas used to construct both types of bases in an arbitrary number of dimensions are presented. I also make a comparison between the two types of bases. I give a detailed description of two common methods for direct sparse grid construction in Section 4, showing that the resulting points from the second method are a subset of the resulting points from the first method, which are in turn a subset of the classical regular grid points. The methods are shown to differ by the norms considered in a strategy used to optimise a cost/benefit relationship. A comparison between the construction techniques is made taking into account accuracy and cost. In Section 5 I present the sparse grid combination technique, showing that it offers an alternative method for arriving at a sparse grid solution through the superposition of multiple smaller (and hence more tractable) full-grid solutions. In Section 6 I discuss the practical advantages of this technique in comparison to the normal ‘direct’ sparse grid approach. Finally, I present a short discussion on the applications of sparse grids in state-of-the-art financial and insurance problems in Section 7. Section 8 gives concluding remarks. 2. THE CURSE OF DIMENSIONALITY To provide a sense of purpose and scope for the remainder of the paper, I will first provide a motivating example of how traditional methods suitable for solving lowdimensional problems become intractable for approaching high-dimensional problems. Problems from classical physics typically consider only a maximum of three spatial dimensions and possibly one time dimension. The stationary heat equation is one such example. To solve this equation, one might discretise a threedimensional unit cube with a classical Cartesian grid employing π = 100 points in each dimension. The resulting number of grid points would be π = ππ = 1003 = 106 . Assuming ideal sequential execution and a single floating point operation per grid point, the time required to solve this problem would be of the order of nanoseconds on the modest 63-TFLOPS HLRB2 supercomputer in Munich. Now consider the task of approximating the price π’ of a financial option using a multi-asset Black-Scholes parabolic partial differential equation (PDE). The number of dimensions π is related to the number of assets in such PDEs. For example, dimensional counts of π ≈ 30 are common in problems dealing with stock indices [1]. Taking π = 10 as an example and using the same Cartesian grid discretisation approach results in π = ππ = 10010 = 1020 . A solution to this equation on the same supercomputer would require a number of weeks to complete, and further doubling the number of dimensions to 20 would result in an ideal computation time of approximately 1018 years. In addition, the storage requirements quickly become unmanageable. These effects are the typical of the manifests of the curse of dimensionality. The curse can be mitigated by choosing a bounded number of points in the problem space based on random sampling, as is done with Monte Carlo methods. The sparse grid approach provides however a more deterministic and structured way to tame the curse, and it is this approach that is the focus of the remainder of this paper. A brief comparison between the sparse grid and Monte Carlo approaches is given in Section 7. 3. BASIS FUNCTIONS AND SPACES In this section I present the concepts of nodal and hierarchical bases and make a comparison between them. 3.1. Nodal Basis In one dimension, the nodal basis can be defined on the unit interval Ω = [0,1] for a dyadic discretisation level1 π ∈ β0 . The corresponding isotropic grid Ωπ has mesh width βπ = 2−π with boundary points π₯0 = 0 and π₯(2π ) = 1, where π₯π = π β βπ . The nodal basis for level π is then defined as in [25] by the function space ππ of piecewise one-dimensional linear functions ππ βΆ= span{ππ,π | π = 0, … , 2π } (1) Each of the one-dimensional functions ππ,π in the space ππ is defined as π₯ 1 − | − π| , β ππ,π (π₯) = { π 0, π₯ ∈ [π₯π − βπ , π₯π + βπ ] (2) otherwise. Fig. 1 shows π3,5 (π₯) as an example. This function is the sixth member of the π3 function space, having support on the 1 3 5 2 4 8 interval [ , ] and a maximum value satisfying π3,5 ( ) = 1. Fig. 1: Nodal basis function ππ,π (π) 1 In this definition, β0 is the set of natural numbers with 0 included The nodal basis π3 is shown fully in Fig. 2. Fig. 2: Nodal basis space π½π , consisting of nine onedimensional functions ππ,π (π) One can generalise the nodal basis to an arbitrary number of dimensions π supporting anisotropic mesh widths across dimensions (i.e. the mesh width is constant along any one dimension, but may not be equal to the mesh width on other dimensions). We first extend the scalar discretisation level π to a multi-index vector π = (π1 , … , ππ ) ∈ β0 π as defined in [25]. For example, the vector π = (1,4, 2) refers to the discretised three-dimensional unit cube with mesh widths in the respective dimensions defined by βπ βΆ= (βπ1 , … , βππ ) βΆ= (2−π1 , … , 2−ππ ) and calculated as βπ = (2−1 , 2−4 , 2−2 ) ∈ β3 for this example. The multi-dimensional nodal basis is then defined by the function space ππ as the natural extension of (1): ππ βΆ= span {ππ,π | ππ‘ = 0, … , 2ππ‘ , π‘ = 1, … , π} (3) The basis functions for the π-dimensional nodal basis on the hypercube [0,1]π can be defined as in [11] as the tensor product of the one-dimensional nodal basis functions defined in (2), that is ππ,π (π₯1 , … π₯π ) βΆ= ππ1 ,π1 (π₯1 ) β … β πππ ,ππ (π₯π ) (4) Fig. 3 shows ππ,π for the case where π = (2,1) and π = (1,1) . The projections of the one-dimensional basis functions involved in the tensor product are shown on the respective axis planes. increment subspaces of all discretisation levels π that are smaller than or equal to π. An example of the one-dimensional hierarchical basis π»π (consisting of the hierarchical increment spaces π0 through π3 ) is given in Fig. 4. Labels for the single nodal basis functions ππ,π (π₯) that comprise each hierarchical increment space are given in the figure. For the multi-dimensional case where π1 =. . . = ππ = π we can define π»π = π»(π,…,π) [14] and hence the hierarchical basis for level π as: π π π π»π βΆ= ⊕ ⊕ β― ⊕ ππ = ⊕ ππ π1 =0 π2 =0 ππ =0 |π|∞ ≤π (8) with the max norm defined as |π’|∞ βΆ= max{π’1 , … , π’π }. Fig. 3: Nodal basis function ππ,π with π = (π, π) and π = (π, π) 3.2. Hierarchical Basis As will be seen later, hierarchical bases are an important building block for sparse grids. To see how a hierarchical basis is constructed, we first introduce the idea of the hierarchical increment space ππ as in [25] ππ βΆ= span {ππ,π | π ∈ π΅π } (5) with ππ,π defined as in (4) and the index set π΅π given in the one-dimensional case by π π π = 1 … 2π1 − 1, π odd π΅π1 = {π ∈ β | π π = 0,1 if π1 > 0 } if π1 = 0 (6) and analogously for the π -dimensional case by the definition in [25] for example. Note from (6) that the hierarchical increment spaces for π1 > 0 consist of only those basis functions that are centred at odd grid points. Alternatively, one can see the hierarchical increment space ππ as consisting of all those functions of ππ which vanish at all grid points of coarser grids [14]. This concept is shown in two dimensions in Fig. 5. In comparison to the nodal basis, the hierarchical basis for π = (3,3) for example is produced in a multi-level fashion by combining all 16 hierarchical increment subspaces shown in Fig. 5. The hierarchical basis [15] is defined in general by π»π βΆ= span{ππ,π βΆ π ∈ π΅π , π ≤ π} (7) where the ‘less-than or equal to’ relationship (≤) is elementwise. Equation (7) describes the hierarchical basis as the combination of basis functions that belong to the hierarchical Fig. 4: One-dimensional hierarchical basis π―π hence be less sparse if based on a hierarchical basis than it would be if based on a nodal basis [18]. 4. SPARSE GRIDS Sparse grids are a general, multi-dimensional discretisation technique which, at least to some extent, cures the curse of dimensionality [8][25]. This section presents two construction techniques for sparse grids and compares them to the classical Cartesian discretisation technique. 4.1. Principle of Construction Two sparse grid construction techniques are discussed and compared here: the πΏ2 -norm and energy-norm based methods. Fig. 5: Decomposition of the two-dimensional space π―π into its hierarchical increment spaces πΎπ (adapted from [25]). Selection of only the spaces above the dashed separator results in the two-dimensional π³π -norm based sparse grid space π½π (π) . 3.3. Comparison of Nodal and Hierarchical Basis The one-dimensional case is considered here for simplicity, but the comparisons made can be generalised to higher dimensions in a straight-forward manner. A comparison between the number of nodes and basis functions is presented in Table I. 4.1.1. πΏ2 -norm based sparse grids The classical method for constructing a sparse grid for a given level is based on optimising the cost-benefit relationship using the πΏ2 -norm and involves cutting a diagonal in the tableau of hierarchical increment spaces and taking the spaces that lie above this diagonal (in Fig. 5 these spaces lie above the dashed separator) [14][16]. More formally, the πΏ2 -norm based sparse grid space ππ (1) for level π can be written as in [13]: ππ (1) βΆ= ⊕ |π|1 ≤ π+π−1 ππ (9) For example, the sparse grid space π3 (1) in two dimensions is built by combining all spaces {ππ ∈ π(πΌ,π½) , πΌ + π½ ≤ 4 }, as illustrated in Fig. 5. The points from this sparse grid space are shown in Fig. 6. TABLE I COMPARISON OF NODAL AND HIERARCHICAL BASIS FOR LEVEL π Number of nodes Basis functions Refinement flexibility Nodal Basis (2π + 1) Hierarchical Basis (2π + 1) (2π − 1) interior hat functions with support 2β, and two boundary functions of support β [8]. Two boundary functions of support 1, one global function of support 1, two functions of support ½, four functions of support ¼ and so on until the required level is reached [8]. Incremental refinement possible (simple addition of extra increment spaces). Refinement requires a new setup. For comparison it is also worthy to note that the supports of hierarchical basis functions of different levels can overlap (visible in Fig. 4). If used generally to generate a problem stiffness matrix π΄ for a linear system, the matrix π΄ will Fig. 6: The two-dimensional π³π -norm based sparse grid space π½π (π) 4.1.2. Energy-norm based sparse grids Another method for constructing a sparse grid (as described in [16]) involves consideration of the energy norm π 2 1/2 ππ’(π₯) βπ’βπΈ βΆ= (∫ ∑ ( ) ππ₯ ) ππ₯π Ω (10) π=1 A selection of hierarchical increment spaces can be defined based on this norm which optimise the cost/benefit relationship [16], resulting in the energy-norm based sparse grid space π(2πβπ ) = π(βπ −π ) to π−1 ππ (πΈ) βΆ= ⊕ 1 1 ππ π |π|1 − βlog2 (∑π π=1 4 )≤ (π+π−1)−5βlog2 (4 +4π−4) 5 ππ π(2π β ππ−1 ) = π (βπ −1 β log (βπ −1 ) (11) It can be shown (e.g. in [16]) that ππ (πΈ) is a subspace of ππ . (1) 4.2. Comparison of construction approaches The hierarchical increment spaces that form part of the πΏ2 -norm and energy-norm based sparse grids are compared for a two-dimensional case in Fig. 7 (reproduced from [16]). The aforementioned subset relationship between the two sets is noteworthy. with βπ = 2 . Although a dependence on π is still present in the asymptotic complexity for sparse grids, it is much weaker. This hence represents a considerable reduction in the number of grid points and thus improves the tractability of solving high-dimensional problems in the sense of the involved computational work and storage. The use of πΏ2 -norm based sparse grids hence alleviate to some extent the curse of dimensionality. Turning our attention now to energy-norm based sparse grids, we recall from Fig. 7 that ππ (πΈ) is a subspace of ππ (1) , and thus |ππ (πΈ) | < |ππ (1) |. In fact, it can be shown (e.g. in [16]) that the number of points in an energy-norm based sparse grid satisfies |ππ πΈ | ≤ 2π β Fig. 7: Comparison of the hierarchical increment spaces used in the π³π -norm based (left) and energy-norm based (right) sparse grid construction approaches for π = ππ and π = π. Comparing the number of grid points (including the boundary points) between a regular grid and an πΏ2 -norm based sparse grid, we first note that the number of points in an πΏ2 -norm based sparse grid is given by [16] |ππ (1) | = 2π ( ππ−1 + π(ππ−2 )) (π − 1)! + 2π−1 (2π − 1)π + 2π ) −π π π β e = π(βπ −1 ) 2 (14) Equation (14) represents an important result: There is no asymptotic dependence of |ππ (πΈ) | on π (although dependence does exist in hidden constants [15]). The curse of dimensionality is hence (at least in an asymptotic sense) overcome [16]. A natural question that one might pose at this stage is: What is the deterioration in accuracy that results from using sparse grids based on such norms? Assuming that the solution is sufficiently smooth, it can be shown (e.g. in [16]) that the interpolation error (measured by the energy norm) for both approaches is in π(βπ ) . There is hence no deterioration in complexity and accuracy for higherdimensional problems when using energy-norm based sparse grids instead of πΏ2 -norm based sparse grids (ignoring the constant factors that are hidden in the Landau relations). (12) TABLE II COMPARISON OF THE NUMBER OF GRID POINTS BETWEEN CARTESIAN AND SPARSE GRIDS IN TWO AND THREE DIMENSIONS Table II shows the number of grid points for two and three dimensions (including the boundary points) for a πΏ2 norm based sparse grid compared to a standard Cartesian grid. Already at three dimensions we can see a significant reduction in the number of points required to represent a given discretisation level. The reduction becomes more pronounced with increasing π. From (12) we can express the general asymptotic complexity of the grid-point count for πΏ2 -norm based sparse grids. π−1 |ππ (1) | = π(2π β ππ−1 ) = π (βπ −1 β log (βπ −1 ) ) (13) The use of such a sparse grid in place of a Cartesian grid ππ hence reduces the number of grid points from ∞ Level π=1 π=2 π=3 π=4 π=5 π=6 π=7 π=8 π=9 π = 10 … π = 30 π =π Cartesian Sparse Grid Grid 9 9 25 21 81 49 289 113 257 1.1 × 103 577 4.2 × 103 16.6 × 103 1.3 × 103 66.0 × 103 2.8 × 103 3 263 × 10 6.1 × 103 6 1.1 × 10 13.3 × 103 1.2 × 1018 35 × 109 π =π Cartesian Sparse Grid Grid 27 21 125 51 729 123 299 4.9 × 103 731 36.0 × 103 275 × 103 1.8 × 103 2.1 × 106 4.3 × 103 6 17.0 × 10 10.5 × 103 6 135 × 10 25.1 × 103 9 1.1 × 10 59.4 × 103 1.2 × 1027 481 × 109 4.3. Further sparse grid techniques Although not addressed in this paper, further techniques exist for the direct construction of sparse grids. The curious reader is referred to the techniques of delayed construction [20], generalised construction [21] and dimension-adaptive construction [22]. An overview of these techniques can be found in [6]. 5. THE COMBINATION TECHNIQUE The ‘direct’ construction techniques described in Section 4 can be used to discretise a problem space and form a sparse grid. Sparse grid spaces can however also be achieved using non-direct methods. One such popular method is the socalled combination technique. The idea is that a sparse grid space can be generated through the superposition of various (coarser) regular-grid spaces having anisotropic mesh widths [9]. The technique thus uses the combination of certain ππ instead of ππ spaces. The combination technique (as first published in [19]) recognises that the sparse grid space ππ (1) can be viewed as a combination of nodal-basis spaces. To build up a sparse grid space ππ (1) for dimension π the technique considers all of the regular grids Ωπ with |π|1 = π1 + π2 + β― + ππ = π + π, π = 0, … , π − 1 Fig. 8: Construction of the two-dimensional sparse grid space π½π (π) using the combination technique Fig. 9 further visualises the idea formulated in (16): the combination technique uses full-grid spaces on two diagonals in order to generate a two-dimensional sparse grid space. In general, the combination technique uses full-grid spaces on π hyper-planes to generate a π-dimensional sparse grid space. (15) With these grids we take the corresponding nodal-basis functions π’π and combine them to form a sparse grid function π’π (1) using the following formula (adapted from [13]): π’π (1) = ⊕ π≤|π|1 ≤π+π−1 (−1)π+π−|π|1−1 ( π−1 )π’ |π|1 − π π (16) To illustrate this idea further, Fig. 8 shows how a simple two-dimensional sparse grid space can be constructed through the combination of certain regular grid spaces. Fig. 9: Full-grid (nodal-basis) spaces used in the construction of the two-dimensional space π½π (π) using the combination technique. The green spaces (|π|π = π + π) are added; the red spaces (|π|π = π) are subtracted. 6. SPARSE GRID CONSTRUCTION COMPARISON: DIRECT APPROACH VERSUS COMBINATION APPROACH The term ‘direct sparse grid approach’ is an umbrella term used to describe the various methods that arrive at a sparse grid space and solution through the consideration of hierarchical increment function spaces. In comparison, the combination technique discussed in Section 5 considers Cartesian grids that stem from the nodal basis. A major benefit of the combination technique is that its algorithmic implementation is naturally parallel [12]. That is, each of the Cartesian grid problems that are involved in the combination process can be processed and solved independently. Synchronisation between the processes solving the separate problems need only occur at the stage where the partial solutions are combined [19], and efficient distributed storage strategies are possible [26]. For nonstationary problems (e.g. turbulence simulation), the option exists to isolate each of the partial-solutions for multiple time steps before combining them. These concepts are shown in Fig. 10, where a non-stationary problem is solved using the combination technique on the sparse grid space π3 (1) . It is also worthy to note here that the power of existing ‘out of the box’ regular-grid tools (e.g. multigrid methods) can be leveraged to efficiently arrive at each of the partial solutions [17]. Fig. 10: Parallel implementation concept for the sparse grid combination technique. On the other hand, direct approaches in the hierarchical function space involve algorithms that operate on one sparse grid. Unlike the combination technique, the process of computing a solution on this grid is not naturally parallel, and techniques like multigrid cannot be applied in a straightforward manner. These inherent drawbacks limit the practical success of direct sparse grid approaches. The practical advantages of the combination technique over direct sparse grid approaches have been verified on different parallel architectures and have seen it successfully applied to several types of elliptic PDEs including problems from computational fluid dynamics (see the references in [27]). 7. APPLICATIONS IN NUMERICAL FINANCE AND INSURANCE There exist many problems in practical finance and insurance that have a dimensionality of greater than three and are thus (due to the curse of dimensionality) not treatable with conventional discretisation techniques. Such problems have traditionally been solved by Monte-Carlo methods or related approaches [23]. Monte-Carlo methods do however have a number of practical drawbacks. For example, convergence is typically considered slow and error bounds can only be specified in a probabilistic sense [24]. Sparse grids are practically very attractive in comparison because error bounds can be determined and the convergence order is higher. Sparse grids hence have applications in many facets of finance and insurance [3]. Some concrete examples include pricing of options and equity baskets [24] in the field of finance and asset-liability management (ALM) models [6] in the insurance industry. 8. SUMMARY Scientific computing is being increasingly applied to domains in which problems involve many variables and parameters. Efficient discretisation techniques are mandatory in order to be able solve such problems using real-world computational resources. Built from hierarchical basis spaces, sparse grids provide a generic and economical means for discretising a problem space. The corresponding discretization results in a much weaker dependence between the number of nodes and the problem dimensionality. Sparse grids are thus practically able to break the curse of dimensionality and help to pave the road for solving higher dimensional problems. The sparse grid combination approach is a commonlyused technique that addresses some of the practical shortcomings of the so-called ‘direct’ sparse grid solution methods. 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