Skip to content
Simons Foundation
Simons Foundation
Flatiron Institute
Computational Mathematics
Search
  • 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.

  • Learn more about the people and work that shape the Center for Computational Mathematics.

    Community

    • People
    • News
    • Events

    Connect

    • Media Relations
    • Contact
    • Visitor Information
  • Publications
  • Software & Data
  • Jobs
  • Careers
    Search all
  • Funding
    Search all
  • Explore opportunities for...
    • Undergraduate students
    • Graduate students
    • Postdoctoral researchers
    • Research scientists
Simons Foundation
Flatiron Institute

Computational Mathematics

  • Research Teams

    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.

  • About

    Learn more about the people and work that shape the Center for Computational Mathematics.

    Community

    • People
    • News
    • Events

    Connect

    • Media Relations
    • Contact
    • Visitor Information
  • Publications
  • Software & Data
  • Jobs

Filters

Publication Year

Show 10 more Show less

Tag

Show 1 more Show less
Simons Foundation
  • Find a Person

Bringing people and ideas together to fund, conduct, and share transformative science.

Our grants advance knowledge and strengthen connections between science and society.

Discover the latest news, research, and updates.

  • All News
  • Research News
  • Funding Announcements
  • Newsletter Sign Up
  • Press Releases
  • Media Relations

We convene scientists, mathematicians, and thinkers to share ideas and explore new questions.

  • Events Calendar
  • Public Events
  • Presidential Lectures
  • Presents
  • Flatiron Events
  • Past Events

Founded by Jim and Marilyn Simons, we’re a private philanthropy advancing mathematics and basic science.

Work with us on the frontier of basic science research.

  • All Open Positions
  • Undergraduate Students
  • Graduate Students
  • Postdocs
  • Research Scientists

The Flatiron Institute is a research center that uses computational science to advance fields like physics, biology, and astronomy.

  • Explore Flatiron Institute
  • People
  • Careers
  • Publications
  • Software & Data
  • Computational Astrophysics
  • Computational Biology
  • Computational Mathematics
  • Computational Neuroscience
  • Computational Quantum Physics
  • Computational Catalysis
Flatiron Institute
  • Autism
  • Neuroscience
  • Mathematics
  • Ecology & Evolution
  • Plant Biology
  • Grantmaking
  • Media Initiatives
  • Public Events
  • Researcher Engagement
  • National Initiatives
  • Computational Software
  • Computational Datasets
  • SFARI Base
  • Publications
  • Simons Collaboration on Localization of Waves
  • Simons Collaboration on Plasticity and the Aging Brain
  • Simons Collaboration on Principles of Microbial Ecosystems
All Collaborations
  • Policies & Procedures
  • Instructional Videos
  • Past Funded Work
  • Undergraduate Students
  • Graduate Students
  • Postdocs
  • Research Scientists
All Funding Opportunities
  • Fellows-to-Faculty
  • New Ideas
  • SFARI Conferences & Courses Awards
  • Shenoy Undergraduate Research Fellowship in Neuroscience
Autism & Neuroscience
  • Simons Graduate Fellowships in Ecology & Evolution
  • Simons Postdoctoral Fellowships in Plant Biology
  • Synthetic Plant Biology
  • Simons Collaborations in Ecology & Evolution
Life Sciences
  • Science in Culture
  • Science in Community
  • STEM Pathways
Science, Society & Culture
  • Scientific Software Research Faculty Award
  • Simons Collaborations in MPS
  • Simons Dissertation Fellowship in Mathematics
  • Simons Fellows in Mathematics
  • Targeted Grants to Institutes
  • Targeted Grants in Mathematics & Physical Sciences
  • Travel Support for Mathematicians
Mathematics & Physical Sciences
  • Pivot Fellowship
  • Simons Society of Fellows
  • Our History
  • Annual Reports
  • Visitor Information
  • Media Relations
  • Contact Us
About Us
  • Leadership
  • Board of Trustees
  • Research Staff
Search All People
  • Working Here
  • Internship Opportunities
  • Undergraduate Students
  • Graduate Students
  • Postdoctoral Students
  • Research Scientists
All Open Positions

Centers

  • Computational Astrophysics
  • Computational Biology
  • Computational Mathematics
  • Computational Neuroscience
  • Computational Quantum Physics
  • Scientific Computer Core
  • Initiative for Computational Catalysis

Collaborative Projects

  • Foundation Models of Science
  • Simons Observatory
Flatiron Institute

Search

What are you looking for?

Filter Results
Black background with a circular, radial pattern of white bars spiraling outward from the center, creating concentric rings and a visually striking geometric design resembling a modern abstract art piece.
Flatiron Institute Computational Mathematics

Computational Mathematics: Publications

Read the latest papers published by our researchers.

Results update as you type and when you change filters.

Skip to results

Filters

Publication Year

Show 10 more Show less

Tag

Show 1 more Show less

Results

  1. Learning to Recall with Transformers Beyond Orthogonal Embeddings

    International Conference on Learning Representations, 2026

    Mert Vural, A. Bietti, Mahdi Soltanolkotabi, and D. Wu

  2. On the randomized SVD in infinite dimensions

    Linear Algebra and its Applications, 2026

    Daniel Kressner, D. Persson, and André Uschmajew

  3. A fast algorithm for the wave equation using time-windowed Fourier projection

    Journal of Computational Physics, 2026

    N. Al Hassanieh, A. Barnett, and L. Greengard

  4. cryoJAX: A Cryo-electron Microscopy Image Simulation Library In JAX

    Acta Crystallographica Section D, 2026

    Michael J. O'Brien, et al.

  5. A Lightweight, Geometrically Flexible Fast Algorithm for the Evaluation of Layer and Volume Potentials

    Journal of Computational Physics, arxiv:2409.11998, 2026

    F. Fryklund, L. Greengard, S. Jiang, and Samuel Potter

  6. Macroscopic approximation of tight-binding models near spectral degeneracies and validity for wave packet propagation

    arxiv:2602.08073, 2026

    Guillaume Bal, Paul Cazeaux, Daniel Massatt, and S. Quinn

  7. Understanding the Mechanisms of Fast Hyperparameter Transfer

    International Conference on Learning Representations, arxiv:2512.22768, 2026

    N. Ghosh, D. Wu, and A. Bietti

  8. Multiscale Clustering and Source Separation of InSight Mission Seismic Data

    IEEE Transactions on Geoscience and Remote Sensing, 2026

    Ali Siahkoohi, R. Morel, R. Balestriero, Erwan Allys, Grégory Sainton, and Taichi Kawamura

  9. An O(logN) Monte Carlo method for periodic Coulomb systems

    arxiv:2601.09288, 2026

    X. Gao, S. Jiang, J. Liang, and Qi Zhou

  10. An O(N) quasi-Ewald splitting method for nanoconfined electrostatics

    arxiv:2601.03125, 2026

    Zecheng Gan, X. Gao, and Yuqing Li

  11. Fast Ewald Summation with Prolates for Charged Systems in the NPT Ensemble

    arxiv:2601.00161, 2026

    J. Liang, L. Lu, and S. Jiang

  12. Comparing cryo-EM methods and molecular dynamics simulation to investigate heterogeneity in ligand-bound TRPV1

    Nature Communications, 2025

    M. Astore, David Silva-Sánchez, R. Blackwell, P. Cossio, and S. Hanson

  13. Improving Cryo-EM Optimization Robustness with an Optimal Transport Loss Function for Noisy Images

    bioRxiv, December 27, 2025

    Geoffrey Woollard, et al.

  14. Stabilizing the singularity swap quadrature for near-singular line integrals

    arxiv:2509.23881, 2025

    David Krantz, A. Barnett, and Anna-Karin Tornberg

  15. Facilitating analysis of open neurophysiology data on the DANDI Archive using large language model tools

    Scientific Data, 2025

  16. A Model-Guided Neural Network Method for the Inverse Scattering Problem

    arxiv:2512.10123, 2025

    Olivia Tsang, O. Melia, Vasileios Charisopoulos, Jeremy Hoskins, Jeremy Hoskins, and Rebecca Willett

  17. Protein Design with Agent Rosetta: A Case Study for Specialized Scientific Agents

    Scaling Environments for Agents at Conference on Neural Information Processing Systems, 2025

    Jacopo Teneggi, Tanya Marwah, A. Bietti, P. Douglas Renfrew, Vikram Mulligan, and S. Golkar

  18. Emergence of Linear Truth Encodings in Language Models

    Conference on Neural Information Processing Systems, arxiv:2510.15804, 2025

    Shauli Ravfogel, Gilad Yehudai, Tal Linzen, Joan Bruna, and A. Bietti

  19. From Shortcut to Induction Head: How Data Diversity Shapes Algorithm Selection in Transformers

    Conference on Neural Information Processing Systems, arxiv:2512.18634, 2025

    Ryotaro Kawata, Yujin Song, A. Bietti, Naoki Nishikawa, Taiji Suzuki, Samuel Vaiter, et al.

  20. Multi-View Graph Learning with Graph-Tuple

    Conference on Topology Algebra and Geometry in Data Science, arxiv:2510.10341, 2025

    Shiyu Chen and T. Huang

  21. Error Breakdown and Sensitivity Analysis of Dynamical Quantities in Markov State Models

    Journal of Chemical Theory and Computation, 2025

    Yehor Tuchkov, L. Evans, S. Hanson, and E. Thiede

  22. Space-time adaptive methods for parabolic evolution equations

    arxiv:2511.18180, 2025

    J. Wang, Jie Su, L. Greengard, S. Jiang, and S. Veerapaneni

  23. Randomized block-Krylov subspace methods for low-rank approximation of matrix functions

    arxiv:2502.01888, 2025

    D. Persson, Tyler Chen, and Christopher Musco

  24. Diffusion for Fusion: Designing Stellarators with Generative AI

    Conference on Neural Information Processing Systems, arxiv:2511.20445, 2025

    Misha Padidar, T. Huang, A. Giuliani, and M. Spivak

  25. Physics Steering: Causal Control of Cross-Domain Concepts in a Physics Foundation Model

    arxiv:2511.20798, 2025

    Rio Alexa Fear, Payel Mukhopadhyay, M. McCabe, A. Bietti, and M. Cranmer

  26. Truncated kernel windowed Fourier projection: a fast algorithm for the 3D free-space wave equation

    arxiv:2511.20824, 2025

    N. Al Hassanieh, A. Barnett, and L. Greengard

  27. Walrus: A Cross-Domain Foundation Model for Continuum Dynamics

    arxiv:2511.15684, 2025

    M. McCabe, Payel Mukhopadhyay, Tanya Marwah, B. Régaldo-Saint Blancard, Francois Rozet, Cristiana Diaconu, et al.

  28. Multi-scale simulations of MUT-16 scaffold protein phase separation and client recognition

    Biophysical Journal, 2025

    Kumar Gaurav, et al.

  29. jaxhps: An elliptic PDE solver built with machine learning in mind

    Journal of Open Source Software, 2025

    O. Melia, D. Fortunato, Jeremy Hoskins, and Rebecca Willett

  30. The Inaugural Flatiron Institute Cryo-EM Conformational Heterogeneity Challenge

    bioRxiv, 2025

    M. Astore, et al.

  31. CosmoBench: A Multiscale, Multiview, Multitask Cosmology Benchmark for Geometric Deep Learning

    Conference on Neural Information Processing Systems, arxiv:2507.03707, 2025

    T. Huang, et al.

  32. Functions on Symmetric Matrices and Point Clouds via Lightweight Invariant Features from Galois Theory

    SIAM Journal on Applied Algebra and Geometry, arxiv:2405.08097, 2025

    Ben Blum-Smith, T. Huang, and Marco Cuturi

  33. Higher-order continuum models for twisted bilayer graphene

    Journal of Mathematical Physics, 2025

    S. Quinn, Tianyu Kong, M. Luskin, and Alexander B. Watson

  34. Machine-Learning Interatomic Potentials for Long-Range Systems

    Physical Review Letters, 2025

    Yajie Ji, J. Liang, and Zhenli Xu

  35. Neutral Gas Phase Distribution from H I Morphology: Phase Separation with Scattering Spectra and Variational Autoencoders

    The Astrophysical Journal, arxiv:2505.20407, 2025

    Minjie Lei, et al.

  36. Universal Spectral Tokenization via Self-Supervised Panchromatic Representation Learning

    Conference on Neural Information Processing Systems, arxiv:2510.17959, 2025

    Jeff Shen, et al.

  37. The Helmholtz Dirichlet and Neumann problems on piecewise smooth open curves

    Journal of Computational Physics, 2025

    Johan Helsing and S. Jiang

  38. Using Time Dependent Rate Analysis to Evaluate the Quality of Machine Learned Reaction Coordinates for Biasing and Computing Kinetics

    The Journal of Physical Chemistry B, October 8, 2025

    Nicodemo Mazzaferro, et al.

  39. A Method of Fundamental Solutions for Large-Scale 3D Elastance and Mobility Problems

    Advances in Computational Mathematics, arxiv:2409.04215, 2025

    Anna Broms, A. Barnett, and Anna-Karin Tornberg

  40. DRaM-LHM: A Quaternion Framework for Iterative Camera Pose Estimation

    Proceedings of the IEEE/CVF International Conference on Computer Vision (ICCV), 2025

    Chen Lin, et al.

  41. Uniqueness, regularity and characteristic flow for a non strictly convex singular variational problem

    Communications on Pure and Applied Mathematics, arxiv:2312.01849, 2025

    Jean-Francois Babadjian and G. Francfort

  42. GSM-Agent: Understanding Agentic Reasoning Using Controllable Environments

    arxiv:2509.21998, 2025

    Hanlin Zhu, Tianyu Guo, Song Mei, Stuart Russell, N. Ghosh, A. Bietti, et al.

  43. Fast summation of Stokes potentials using a new kernel-splitting in the DMK framework

    arxiv:2509.21471, 2025

    Ludvig af Klinteberg, L. Greengard, S. Jiang, and Anna-Karin Tornberg

  44. A domain decomposition method for computing the scattering matrix of waveguide circuits

    arxiv:2509.20695, 2025

    Tristan Goodwill, S. Jiang, M. Rachh, and Kosuke Sugita

  45. Any-Subgroup Equivariant Networks via Symmetry Breaking

    NeurIPS, 2025

    Abhinav Goel, Derek Lim, H. Lawrence, Stefanie Jegelka, and T. Huang

  46. Cryo-EM images are intrinsically low dimensional

    PRX Life, September 22, 2025

    L. Evans, et al.

  47. AION-1: Omnimodal Foundation Model for Astronomical Sciences

    Conference on Neural Information Processing Systems, arxiv:2510.17960, 2025

    L. Parker, et al.

  48. Predicting partially observable dynamical systems via diffusion models with a multiscale inference scheme

    Conference on Neural Information Processing Systems, arxiv:2511.19390, 2025

    R. Morel, et al.

  • Prev
  • 1
  • 2
  • 3
  • …
  • 10
  • Page 1 of 10
  • Next

About

  • About Us
  • History
  • Annual Reports
  • People
  • Visitor Information
  • Careers

Funding

  • Funding Opportunities
  • Funded Work
  • Simons Award Manager
  • Simons Foundation International
  • Policies & Procedures

Program Areas

  • Life Sciences
  • Autism & Neuroscience
  • Mathematics & Physical Sciences
  • Science, Society & Culture

Connect

  • Newsletters
  • Events
  • Contact us
  • Media Relations
  • Terms & Conditions
  • Privacy Policy
Simons Foundation
Bluesky Facebook Instagram YouTube X RSS Feed

Advancing Research in Basic 
Science and Mathematics

Customize your preferences

Your preferences have been saved.

Confirm your subscription by clicking the link in the email we sent.