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Updated: Jun 2, 2026

Contrast-Matching Detergent in Small-Angle Neutron Scattering Experiments for Membrane Protein Structural Analysis and Ab Initio Modeling
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Reduced-Rank Approximations to the Far-Field Transform in the Gridded Fast Multipole Method.

Andrew J Hesford1, Robert C Waag

  • 1Department of Electrical and Computer Engineering, University of Rochester, Rochester NY 14642-8648 USA.

Journal of Computational Physics
|May 10, 2011
PubMed
Summary
This summary is machine-generated.

This study enhances the Fast Multipole Method (FMM) by improving transformations between plane-wave and pressure expansions. A novel approach using adaptive cross approximation (ACA) with truncated SVD reduces computational cost and approximation error for large finest-level groups.

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Contrast-Matching Detergent in Small-Angle Neutron Scattering Experiments for Membrane Protein Structural Analysis and Ab Initio Modeling
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Published on: October 21, 2018

Area of Science:

  • Computational electromagnetics
  • Numerical analysis
  • Applied mathematics

Background:

  • The Fast Multipole Method (FMM) offers computational efficiency for large-scale problems.
  • Transformations between plane-wave and pressure expansions are a computational bottleneck in FMM, especially for large finest-level groups.
  • Existing methods like FFT convolution and reduced-rank approximations have limitations.

Purpose of the Study:

  • To reduce the computational cost associated with transformations in the Fast Multipole Method (FMM).
  • To improve the accuracy and efficiency of reduced-rank approximations for FMM operators.
  • To investigate the combined use of Adaptive Cross Approximation (ACA) and Singular Value Decomposition (SVD) for FMM transformations.

Main Methods:

  • Utilized adaptive cross approximation (ACA) to represent forward and adjoint far-field transformation operators in FMM.
  • Applied a truncated Singular Value Decomposition (SVD) for recompressing ACA-approximated operators.
  • Focused on transformations between plane-wave expansions and pressure distributions within the FMM framework.

Main Results:

  • The combination of ACA with a reduced, truncated SVD significantly decreased approximation error.
  • The proposed method achieved approximation error comparable to a full-scale truncated SVD.
  • The computational efficiency of ACA matrix assembly was maintained without degradation.

Conclusions:

  • A hybrid ACA-SVD approach effectively reduces FMM computational costs associated with complex transformations.
  • This method provides a practical solution for improving FMM performance on large datasets.
  • The findings offer a more efficient and accurate FMM implementation for computational electromagnetics.