Nonnegative tensor train for the multicomponent Smoluchowski equation (2404.10898v2)
Abstract: We propose an efficient implementation of the numerical tensor-train (TT) based algorithm solving the multicomponent coagulation equation preserving the nonnegativeness of solution. Unnatural negative elements in the constructed approximation arise due to the errors of the low-rank decomposition and discretization scheme. In this work, we propose to apply the rank-one corrections in the TT-format proportional to the minimal negative element. Such an element can be found via application of the global optimization methods that can be fully implemented within efficient operations in the tensor train format. We incorporate this trick into the time-integration scheme for the multicomponent coagulation equation and also use it for post-processing of the stationary solution for the problem with the source of particles.
- Cambridge University Press, 2010.
- F. Leyvraz, “Scaling theory and exactly solved models in the kinetics of irreversible aggregation,” Phys. Reports, vol. 383, pp. 95–212, 2003.
- G. Falkovich, A. Fouxon, and M. G. Stepanov, “Acceleration of rain initiation by cloud turbulence,” Nature, vol. 419, p. 151, 2002.
- A. E. Aloyan, V. O. Arutyunyan, A. A. Lushnikov, and V. A. Zagaynov, “Transport of coagulating aerosol in the atmosphere,” Journal of Aerosol Science, vol. 28, no. 1, pp. 67–85, 1997.
- G. de Oliveira Reis, P. Menut, F. Bonfils, L. Vaysse, Y. Hemar, and C. Sanchez, “Acid-induced aggregation and gelation of natural rubber latex particles,” Colloids and Surfaces A: Physicochemical and Engineering Aspects, vol. 482, pp. 9–17, 2015.
- A. Boje, J. Akroyd, S. Sutcliffe, J. Edwards, and M. Kraft, “Detailed population balance modelling of TiO2 synthesis in an industrial reactor,” Chemical Engineering Science, vol. 164, pp. 219–231, 2017.
- V. M. Kaganer, S. Fernandez-Garrido, P. Dogan, K. K. Sabelfeld, and O. Brandt, “Nucleation, growth, and bundling of GaN nanowires in molecular beam epitaxy: Disentangling the origin of nanowire coalescence,” Nano letters, vol. 16, no. 6, pp. 3717–3725, 2016.
- K. K. Sabelfeld, V. M. Kaganer, C. Pfüller, and O. Brandt, “Dislocation contrast in cathodoluminescence and electron-beam induced current maps on GaN (0 0 0 1),” Journal of Physics D: Applied Physics, vol. 50, no. 40, p. 405101, 2017.
- P. J. Flory, Principles of Polymer Chemistry. Cornell University Press, 1953.
- P. J. Blatz and A. V. Tobolsky, “Note on the kinetics of systems manifesting simultaneous polymerization-depolymerization phenomena,” The Journal of Physical Chemistry, vol. 49, no. 2, pp. 77–80, 1945.
- M. Anand, K. Rajagopal, and K. Rajagopal, “A model for the formation and lysis of blood clots,” Pathophysiology of haemostasis and thrombosis, vol. 34, no. 2-3, pp. 109–120, 2006.
- A. A. Filkova, A. A. Martyanov, A. K. Garzon Dasgupta, M. A. Panteleev, and A. N. Sveshnikova, “Quantitative dynamics of reversible platelet aggregation: mathematical modelling and experiments,” Scientific reports, vol. 9, no. 1, p. 6217, 2019.
- M. V. Smoluchowski, “Attempt for a mathematical theory of kinetic coagulation of colloid solutions,” Z. Phys. Chem., vol. 92, p. 129, 1917.
- A. Lushnikov, “Evolution of coagulating systems: III. Coagulating mixtures,” Journal of Colloid and Interface Science, vol. 54, no. 1, pp. 94–101, 1976.
- N. V. Brilliantov, P. L. Krapivsky, A. Bodrova, F. Spahn, H. Hayakawa, V. Stadnichuk, and J. Schmidt, “Size distribution of particles in Saturn’s rings from aggregation and fragmentation,” PNAS, vol. 112, no. 31, pp. 9536–9541, 2015.
- S. A. Matveev, A. P. Smirnov, and E. E. Tyrtyshnikov, “A fast numerical method for the Cauchy problem for the Smoluchowski equation,” Journal of Computational Physics, vol. 282, pp. 23–32, 2015.
- M. Singh, “Accurate and efficient approximations for generalized population balances incorporating coagulation and fragmentation,” Journal of Computational Physics, vol. 435, p. 110215, 2021.
- A. Eibeck and W. Wagner, “An efficient stochastic algorithm for studying coagulation dynamics and gelation phenomena,” SIAM Journal on Scientific Computing, vol. 22, no. 3, pp. 802–821, 2000.
- A. A. Sorokin, V. F. Strizhov, M. N. Demin, and A. P. Smirnov, “Monte-Carlo modeling of aerosol kinetics,” Atomic Energy, vol. 117, no. 4, pp. 289–293, 2015.
- G. Palaniswaamy and S. K. Loyalka, “Direct simulation, Monte Carlo, multicomponent, aerosol dynamics: Coagulation, deposition, and source reinforcement,” Nuclear technology, vol. 160, no. 2, pp. 187–204, 2007.
- A. Boje, J. Akroyd, and M. Kraft, “A hybrid particle-number and particle model for efficient solution of population balance equations,” Journal of Computational Physics, vol. 389, pp. 189–218, 2019.
- A. P. Smirnov, S. A. Matveev, D. A. Zheltkov, and E. E. Tyrtyshnikov, “Fast and Accurate Finite-difference Method Solving Multicomponent Smoluchowski Coagulation Equation with Source and Sink Terms,” Procedia Computer Science, vol. 80, pp. 2141–2146, 2016.
- S. A. Matveev, D. A. Zheltkov, E. E. Tyrtyshnikov, and A. P. Smirnov, “Tensor Train versus Monte Carlo for the multicomponent Smoluchowski coagulation equation,” Journal of Computational Physics, vol. 316, pp. 164–179, 2016.
- G. Manzini, E. Skau, D. P. Truong, and R. Vangara, “Nonnegative tensor-train low-rank approximations of the Smoluchowski coagulation equation,” in International Conference on Large-Scale Scientific Computing, pp. 342–350, Springer, 2021.
- A. Sultonov, S. Matveev, and S. Budzinskiy, “Low-rank nonnegative tensor approximation via alternating projections and sketching,” Computational and Applied Mathematics, vol. 42, no. 2, p. 68, 2023.
- E. Shcherbakova and E. Tyrtyshnikov, “Fast nonnegative tensor factorizations with tensor train model,” Lobachevskii Journal of Mathematics, vol. 43, no. 4, pp. 882–894, 2022.
- E. M. Shcherbakova, S. A. Matveev, A. P. Smirnov, and E. E. Tyrtyshnikov, “Study of performance of low-rank nonnegative tensor factorization methods,” Russian Journal of Numerical Analysis and Mathematical Modelling, vol. 38, no. 4, pp. 231–239, 2023.
- S. Matveev and S. Budzinskiy, “Sketching for a low-rank nonnegative matrix approximation: Numerical study,” Russian Journal of Numerical Analysis and Mathematical Modelling, vol. 38, no. 2, pp. 99–114, 2023.
- T.-X. Jiang, M. K. Ng, J. Pan, and G.-J. Song, “Nonnegative low rank tensor approximations with multidimensional image applications,” Numerische Mathematik, vol. 153, no. 1, pp. 141–170, 2023.
- S. Budzinskiy, “Quasioptimal alternating projections and their use in low-rank approximation of matrices and tensors,” arXiv preprint arXiv:2308.16097, 2023.
- D. Zheltkov and E. Tyrtyshnikov, “Global optimization based on TT-decomposition,” Russian Journal of Numerical Analysis and Mathematical Modelling, vol. 35, no. 4, pp. 247–261, 2020.
- K. Sozykin, A. Chertkov, R. Schutski, A.-H. Phan, A. S. Cichocki, and I. Oseledets, “TTOpt: A maximum volume quantized tensor train-based optimization and its application to reinforcement learning,” Advances in Neural Information Processing Systems, vol. 35, pp. 26052–26065, 2022.
- I. Oseledets, S. Dolgov, V. Kazeev, D. Savostyanov, O. Lebedeva, P. Zhlobich, T. Mach, and L. Song, “TT-toolbox,” https://github.com/oseledets/TT-Toolbox, 2016.
- O. Lebedeva, “Tensor conjugate-gradient-type method for Rayleigh quotient minimization in block QTT-format,” Russian Journal of Numerical Analysis and Mathematical Modelling, 2011.
- J. Fernandez-Diaz and G. Gomez-Garcia, “Exact solution of Smoluchowski’s continuous multi-component equation with an additive kernel,” Europhysics Letters, vol. 78, no. 5, p. 56002, 2007.
- Z. Melzak, “A scalar transport equation,” Transactions of the American Mathematical Society, vol. 85, no. 2, pp. 547–560, 1957.
- Z. Melzak, “A scalar transport equation. II.,” The Michigan Mathematical Journal, vol. 4, no. 3, pp. 193–206, 1957.
- I. Timokhin, “Tensorisation in the solution of Smoluchowski type equations,” in Large-Scale Scientific Computing: 12th International Conference, LSSC 2019, Sozopol, Bulgaria, June 10–14, 2019, Revised Selected Papers 12, pp. 181–188, Springer, 2020.
- M. Smith, K. Lee, and T. Matsoukas, “Coagulation of charged aerosols,” Journal of Nanoparticle Research, vol. 1, pp. 185–195, 1999.