ASGarD: Adaptive Sparse Grid Discretization
Many areas of science exhibit physical processes that are described by high dimensional partial differential equations (PDEs), e.g., the 4D, 5D and 6D models describing magnetized fusion plasmas, models describing quantum chemistry, or derivatives pricing. Such problems are affected by the so-called...
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Published in | Journal of open source software Vol. 9; no. 100 |
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Main Authors | , , , , , , , , , , , , , , , , , |
Format | Journal Article |
Language | English |
Published |
United States
Open Source Initiative - NumFOCUS
22.08.2024
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Subjects | |
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Abstract | Many areas of science exhibit physical processes that are described by high dimensional partial differential equations (PDEs), e.g., the 4D, 5D and 6D models describing magnetized fusion plasmas, models describing quantum chemistry, or derivatives pricing. Such problems are affected by the so-called “curse of dimensionality” where the number of degrees of freedom (or unknowns) required to be solved for scales as ND where N is the number of grid points in any given dimension D. A simple, albeit naive, 6D example is demonstrated in the left panel of Figure 1. With N = 1000 grid points in each dimension, the memory required just to store the solution vector, not to mention forming the matrix required to advance such a system in time, would exceed an exabyte - and also the available memory on the largest of supercomputers available today. The right panel of Figure 1 demonstrates potential savings for a range of problem dimensionalities and grid resolution. While there are methods to simulate such high-dimensional systems, they are mostly based on Monte-Carlo methods, which rely on a statistical sampling such that the resulting solutions include noise. Since the noise in such methods can only be reduced at a rate proportional to $\sqrt{N_p}$ where Np is the number of Monte-Carlo samples, there is a need for continuum, or grid/mesh-based methods for high-dimensional problems, which both do not suffer from noise and bypass the curse of dimensionality. We present a simulation framework that provides such a method using adaptive sparse grids. |
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AbstractList | Many areas of science exhibit physical processes that are described by high dimensional partial differential equations (PDEs), e.g., the 4D, 5D and 6D models describing magnetized fusion plasmas, models describing quantum chemistry, or derivatives pricing. Such problems are affected by the so-called “curse of dimensionality” where the number of degrees of freedom (or unknowns) required to be solved for scales as ND where N is the number of grid points in any given dimension D. A simple, albeit naive, 6D example is demonstrated in the left panel of Figure 1. With N = 1000 grid points in each dimension, the memory required just to store the solution vector, not to mention forming the matrix required to advance such a system in time, would exceed an exabyte - and also the available memory on the largest of supercomputers available today. The right panel of Figure 1 demonstrates potential savings for a range of problem dimensionalities and grid resolution. While there are methods to simulate such high-dimensional systems, they are mostly based on Monte-Carlo methods, which rely on a statistical sampling such that the resulting solutions include noise. Since the noise in such methods can only be reduced at a rate proportional to $\sqrt{N_p}$ where Np is the number of Monte-Carlo samples, there is a need for continuum, or grid/mesh-based methods for high-dimensional problems, which both do not suffer from noise and bypass the curse of dimensionality. We present a simulation framework that provides such a method using adaptive sparse grids. |
Author | Endeve, Eirik Demeure, Nestor Stoyanov, Miroslav K. Brunie, Hugo Schnake, Stefan Hahn, Steven E. Younkin, Timothy Green, David L. Hauck, Cory D. McDaniel, B. Tyler Mu, Lin Lopez, M. Graham Lau, Hao Kendrick, Coleman J. D’Azevedo, Ed Cianciosa, Mark Elwasif, Wael McDaniel, Adam |
Author_xml | – sequence: 1 orcidid: 0000000220187904 fullname: Hahn, Steven E. organization: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000220187904 – sequence: 2 orcidid: 0000000281995577 fullname: Stoyanov, Miroslav K. organization: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000281995577 – sequence: 3 orcidid: 0000000215183538 fullname: Schnake, Stefan organization: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000215183538 – sequence: 4 orcidid: 0000000312519507 fullname: Endeve, Eirik organization: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000312519507 – sequence: 5 orcidid: 0000000331071170 fullname: Green, David L. organization: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000331071170 – sequence: 6 orcidid: 0000000162115311 fullname: Cianciosa, Mark organization: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000162115311 – sequence: 7 orcidid: 0000000269453206 fullname: D’Azevedo, Ed organization: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000269453206 – sequence: 8 orcidid: 0000000305541036 fullname: Elwasif, Wael organization: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000305541036 – sequence: 9 orcidid: 0000000188089844 fullname: Kendrick, Coleman J. organization: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000188089844 – sequence: 10 fullname: Lau, Hao organization: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States) – sequence: 11 orcidid: 0000000253752105 fullname: Lopez, M. Graham organization: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000253752105 – sequence: 12 fullname: McDaniel, Adam organization: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States); South Doyle High School, Knoxville, TN (United States) – sequence: 13 fullname: McDaniel, B. Tyler organization: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States); Univ. of Tennessee, Knoxville, TN (United States) – sequence: 14 orcidid: 0000000226692696 fullname: Mu, Lin organization: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States); Univ. of Georgia, Athens, GA (United States)] (ORCID:0000000226692696 – sequence: 15 orcidid: 0000000274716840 fullname: Younkin, Timothy organization: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000274716840 – sequence: 16 fullname: Brunie, Hugo organization: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC); National Institute for Research in Digital Science and Technology (Inria) (France) – sequence: 17 fullname: Demeure, Nestor organization: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC) – sequence: 18 orcidid: 000000015559502X fullname: Hauck, Cory D. organization: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:000000015559502X |
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