High Performance Numerical Algorithms and Simulations

The research of the HPNALGS chair focuses on numerical linear algebra including both deterministic and randomized algorithms,  high-performance computing for scientific applications particularly in molecular simulations, and low-rank tensor methods for approximating solutions to high-dimensional problems.

Current Research Projects

EMC2: Extreme-scale Mathematically-based Computational Chemistry project 2019 - 2025, ERC Syngergy Grant.
With E. Cances, Y. Maday, and J.-P. Piquemal, Sorbonne University, ENPC

  • Daas HAL, Ballard G, Grigori L, Kumar S, Rouse K
    Communication lower bounds and optimal algorithms for multiple tensor-times-matrix computation
    SIAM Journal on Matrix Analysis and Applications. 2024; 45(1): 450-477. https://doi.org/10.1137/22M1510443
    DORA PSI
  • Badreddine S, Chollet I, Grigori L
    Factorized structure of the long-range two-electron integrals tensor and its application in quantum chemistry
    Journal of Computational Physics. 2023; 493: 112460 (29 pp.). https://doi.org/10.1016/j.jcp.2023.112460
    DORA PSI
  • Balabanov O, Beaupère M, Grigori L, Lederer V
    Block subsampled randomized hadamard transform for Nyström approximation on distributed architectures
    In: Krause A, Brunskill E, Cho K, Engelhardt B, Sabato S, Scarlett J, eds. International conference on machine learning. Vol. 202. Proceedings of machine learning research. sine loco: ML Research Press; 2023:1564-1576. https://proceedings.mlr.press/v202/balabanov23a/balabanov23a.pdf.
    DORA PSI
  • Bharadwaj V, Malik OA, Murray R, Grigori L, Buluc A, Demmel J
    Fast exact leverage score sampling from Khatri-Rao products with applications to tensor decomposition
    In: Advances in neural information processing systems. Vol. 36. NeurIPS Proceedings. ; 2023:(28 pp.). https://proceedings.neurips.cc/paper_files/paper/2023/hash/959f70ee50044bed305e48e3484005a7-Abstract-Conference.html.
    DORA PSI
  • Bharadwaj V, Malik OA, Murray R, Grigori L, Buluç A, Demmel J
    Fast exact leverage score sampling from Khatri-Rao products with applications to tensor decomposition
    In: Oh A, Neumann T, Globerson A, Saenko K, Hardt M, Levine S, eds. 37th conference on neural information processing systems (NeurIPS'23). Vol. 36. Advances in neural information processing systems. San Diego: Neural information processing systems foundation; 2023:47874-47901.
    DORA PSI