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Computational Mathematics

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    Biomolecular and Biophysical Inference Bridging the gap between molecular simulations and experimental data, enabling quantitative characterization of biomolecules.

    Machine Learning and Computational Statistics Using leading-edge tools and methods to push the boundaries of computational mathematics.

    Numerical Analysis and Scientific Computing Creating fast, accurate and robust high-order solvers for many equations in complicated geometries.

    COMPASS Connecting researchers working on molecular sampling, simulation and design.

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Flatiron Institute Computational Mathematics

Computational Mathematics: Publications

Read the latest papers published by our researchers.

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  1. Mean-field inference methods for neural networks

    Journal of Physics A, arxiv:1911.00890, May 13, 2020

    M. Gabrié

  2. Natural evolution strategies and variational Monte Carlo

    Machine Learning: Science and Technology, arxiv:2005.04447, May 9, 2020

    Tianchen Zhao, G. Carleo, J. Stokes, and Shravan Veerapaneni

  3. The general theory of permutation equivarant neural networks and higher order graph variational encoders

    arXiv e-prints, arxiv:2004.03990, April 8, 2020

    E. Thiede, Truong Son Hy, and . Kondor

  4. Shrinkage improves estimation of microbial associations under different normalization methods

    bioRxiv 406264, April 4, 2020

    M Badri, Z Kurtz, R. Bonneau, and C. Müller

  5. Deep Network Classification by Scattering and Homotopy Dictionary Learning

    International Conference on Learning Representations, arxiv:1910.03561, March 11, 2020

    John Zarka, Louis Thiry, Tomás Angles, and S. Mallat

  6. Hyper-molecules: on the representation and recovery of dynamical structures for applications in flexible macro-molecules in cryo-EM

    Inverse Problems, arxiv:1907.01589, March 4, 2020

    Roy R Lederman, J. Andén, and Amit Singer

  7. A boundary integral equation approach to computing eigenvalues of the stokes operator

    Advances in Computational Mathematics, arxiv:1904.07351, March 3, 2020

    Travis Askham and M. Rachh

  8. High-order discretization of a stable time-domain integral equation for 3D acoustic scattering

    Journal of Computational Physics, arxiv:1904.00076, February 1, 2020

    A. Barnett, L. Greengard, and Thomas Hagstrom

  9. Reducing bias and variance for CTF estimation in single particle cryo-EM

    UCC, January 29, 2020

    Ayelet Heimowitz, J. Andén, and Amit Singer

  10. Measurement of Void Bias Using Separate Universe Simulations

    The Astrophysical Journal, arxiv:1909.03736, January 29, 2020

    Kwan Chuen Chan, Y. Li, Matteo Biagetti, and Nico Hamaus

  11. Cryo-EM reconstruction of continuous heterogeneity by Laplacian spectral volumes

    Inverse Problems, arxiv:1907.01898, January 28, 2020

    Amit Moscovich, Amit Halevi, J. Andén, and Amit Singer

  12. Factorization of the translation kernel for fast rigid image alignment

    Inverse Problems, arxiv:1905.12317, January 28, 2020

    A. Rangan, M. Spivak, J. Andén, and A. Barnett

  13. Perspective maximum likelihood-type estimation via proximal decomposition

    EJS, January 8, 2020

    Patrick L Combettes and C. Müller

  14. Deep learning for automated classification and characterization of amorphous materials

    Soft Matter, 2020

    Kirk Swanson, Shubhendu Trivedi, Joshua Lequieu, Kyle Swanson, and . Kondor

  15. A fast boundary integral method for high-order multiscale mesh generation

    SISC, arXiv:1909.13356, January 1, 2020

    Felipe Vico, L. Greengard, Michael O'Neil, and M. Rachh

  16. Kymatio: Scattering Transforms in Python

    Journal of Machine Learning Research, arxiv:1812.11214, January 1, 2020

    Mathieu Andreux, Tomás Angles, Georgios Exarchakis, Roberto Leonarduzzi, Gaspar Rochette, Louis Thiry, et al.

  17. A fast solver for the narrow capture and narrow escape problems in the sphere

    Journal of Computational Physics, arxiv:1906.04209, January 1, 2020

    J. Kaye and L. Greengard

  18. Cosmological simulation in tides: power spectrum and halo shape responses, and shape assembly bias

    arXiv e-prints, arxiv:2011.06584, 2020

    Kazuyuki Akitsu, Y. Li, and Teppei Okumura

  19. Disentangling microbial associations from hidden environmental and technical factors via latent graphical models

    bioRxiv:2019.12.21.885889, December 23, 2019

    Zachary D Kurtz, R. Bonneau, and C. Müller

  20. Probabilistic Modeling with Matrix Product States

    Entropy, arxiv:1902.06888, December 17, 2019

    J. Stokes and John Terilla

  21. Rotation method for accelerating multiple-spherical Bessel function integrals against a numerical source function

    arxiv:1912.00065, November 29, 2019

    Zachary Slepian, Y. Li, Marcel Schmittfull, and Zvonimir Vlah

  22. Cormorant: Covariant Molecular Neural Networks

    33rd Conference on Neural Information Processing Systems, arxiv:1906.04015, November 25, 2019

    Brandon Anderson, Truong Son Hy, and . Kondor

  23. A new mixed potential representation for the equations of unsteady, incompressible flow

    SIAM Review, arxiv:1809.08442, November 6, 2019

    L. Greengard and Shidong Jiang

  24. Explicit unconditionally stable methods for the heat equation via potential theory

    Pure and Applied Analysis, arxiv:1902.08690, October 12, 2019

    A. Barnett, L. Greengard, Shidong Jiang, and J. Wang

  25. SpikeInterface, a unified framework for spike sorting

    biorXiv, October 7, 2019

    A. P. Buccino, C. L. Hurwitz, J. Magland, S. Garcia, J. H. Siegle, R. Hurwitz, et al.

  26. Fast integral equation methods for linear and semilinear heat equations in moving domains

    arxiv:1910.00755, October 2, 2019

    J. Wang, L. Greengard, Shidong Jiang, and Shravan Veerapaneni

  27. A Parallel Nonuniform Fast Fourier Transform Library Based on an “Exponential of Semicircle" Kernel

    SISC, arXiv:1808.06736, September 19, 2019

    A. Barnett, J. Magland, and Ludvig af Klinteberg

  28. Fourier at the heart of computer music: From harmonic sounds to texture

    CRP, September 5, 2019

    Vincent Lostanlen, J. Andén, and Mathieu Lagrange

  29. Quantum Natural Gradient

    QUANTUM, arXiv:1909.02108, 2019

    J. Stokes, Josh Izaac, Nathan Killoran, and G. Carleo

  30. Stability selection enables robust learning of partial differential equations from limited noisy data

    arxiv:1907.07810, July 17, 2019

    Suryanarayana Maddu, Bevan L Cheeseman, Ivo F Sbalzarini, and C. Müller

  31. Joint Time–Frequency Scattering

    IEEESP, arXiv:1807:08869, 2019

    J. Andén, Vincent Lostanlen, and S. Mallat

  32. Transparent Boundary Conditions for the Time-Dependent Schrödinger Equation with a Vector Potential

    arxiv:1812.04200, July 5, 2019

    J. Kaye and L. Greengard

  33. Phase Harmonic Correlations and Convolutional Neural Networks

    Information and Inference: A Journal of the IMA, arxiv:1810.12136, June 29, 2019

    S. Mallat, Sixin Zhang, and Gaspar Rochette

  34. Decoupled Greedy Learning of CNNs

    arxiv:1901.08164, June 19, 2019

    Eugene Belilovsky, M. Eickenberg, and Edouard Oyallon

  35. Microbial networks in SPRING -- Semi-parametric rank-based correlation and partial correlation estimation for quantitative microbiome data

    FG, June 9, 2019

    Grace Yoon, Irina Gaynanova, and C. Müller

  36. Neural activity in a hippocampus-like region of the teleost pallium is associated with active sensing and navigation

    eLife, bioRxiv:10.1101/495887v1, April 3, 2019

    Haleh Fotowat, Candice Lee, J. Jun, and Len Maler

  37. Hybrid asymptotic/numerical methods for the evaluation of layer heat potentials in two dimensions

    Advances in Computational Mathematics, arxiv:1803.07668, April 2, 2019

    J. Wang and L. Greengard

  38. Learning Shared Knowledge for Deep Lifelong Learning using Deconvolutional Networks

    IJCAI, 2019

    Seungwon Lee, J. Stokes, and Eric Eaton

  39. A fluctuating boundary integral method for Brownian suspensions

    Journal of Computational Physics, arXiv:1709.01480, December 1, 2018

    Yuanxun Bao, Manas Rachh, Eric E. Keaveny, L. Greengard, and Aleksandar Donev

  40. High-Density, Long-Lasting, and Multi-region Electrophysiological Recordings Using Polymer Electrode Arrays

    Neuron, November 27, 2018

    J. E. Chung, H. R. Joo, J. L. Fan, D. F. Liu, A. Barnett, S. Chen, et al.

  41. Comparable upper and lower bounds for boundary values of Neumann eigenfunctions and tight inclusion of eigenvalues

    Duke Mathematical Journal, November 16, 2018

    A. Barnett, A. Hassell, and M. Tacy

  42. On the accurate evaluation of unsteady Stokes layer potentials in moving two-dimensional geometries

    arxiv:1811.01840, November 5, 2018

    L. Greengard, Shidong Jiang, and J. Wang

  43. Relevance-based quantization of scattering features for unsupervised mining of environmental audio

    EURASIP Journal on Audio, Speech, and Music Processing, September 9, 2018

    Vincent Lostanlen, Grégoire Lafay, J. Andén, and Mathieu Lagrange

  44. Extended playing techniques: the next milestone in musical instrument recognition

    DLfM '18: Proceedings of the 5th International Conference on Digital Libraries for Musicology, arXiv:1808.09730, September 1, 2018

    Vincent Lostanlen, J. Andén, and Mathieu Lagrange

  45. A new hybrid integral representation for frequency domain scattering in layered media

    Applied and Computational Harmonic Analysis, arxiv:1507.03491, September 1, 2018

    Jun Lai, L. Greengard, and Michael O'Neil

  46. A unified integral equation scheme for doubly-periodic Laplace and Stokes boundary value problems in two dimensions

    Communications On Pure and Applied Mathematics, arXiv:1611.08038, July 17, 2018

    A. Barnett, G Marple, and L Zhao

  47. Structural Variability from Noisy Tomographic Projections

    Structural Variability from Noisy Tomographic Projections, arXiv:1710.09791, May 31, 2018

    J. Andén and A. Singer

  48. Integral equation methods for electrostatics, acoustics and electromagnetics in smoothly varying, anisotropic media

    arxiv:1805.04791, May 12, 2018

    Lise-Marie Imbert-Gerard, Felipe Vico, L. Greengard, and Miguel Ferrando

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