Recent Publications

2025:

• Wajih Boukaram , Yang Liu,  Pieter Ghysels, Xiaoye Sherry Li, “Adaptive sketching based construction of H2 matrices on GPUs”, IPDPS / PDSEC workshop paper (Best Paper Award).  The 26th IEEE International Workshop on Parallel and Distributed Scientific and Engineering Computing (PDSEC 2025),  June 3, 2025, Milan, Italy.  Highlight

• Arkaprabha Ganguli, Nesar Ramachandra, Julie Bessac, and Emil Constantinescu, Enhancing Interpretability in Generative Modeling: Statistically Disentangled Latent Spaces Guided by Generative Factors in Scientific Datasets, Submitted 2025.  Highlight

• Ha, Yunsoo, and Juliane Mueller. "Multi-fidelity Stochastic Trust region method with Adaptive Sampling." submitted and accepted for presentation at Winter Simulation Conference 2025.  arXiv preprint arXiv:2408.04625. 2024 Aug 8.  Highlight

• Safta C, Jones RE, Patel RG, Wonnacot R, Bolintineanu DS, Hamel CM, Kramer SL. Uncertainty quantification of neural network models of evolving processes via Langevin sampling. arXiv preprint arXiv:2504.14854. 2025 Apr 21.

• Dong Min Roh, Dean Lee, Pieter Maris, Esmond Ng, James P Vary, Chao Yang, “Accelerating eigenvalue computation for nuclear structure calculations via perturbative corrections”, Journal of Computational Physics, vol 531, 113921, 2025. DOI: 10.1016/j.jcp.2025.113921.   Highlight

• Alec Dektor, Peter DelMastro, Erika Ye, Roel Van Beeumen, Chao Yang, “Inexact subspace projection methods for low-rank tensor eigenvalue problems”, arXiv:2502.19578, 2025. DOI:  10.48550/arXiv.2502.19578. Highlight

• Max Heldman, Julie Bessac, and Johann Rudi. Statistical Treatment of Variable MPI Latencies and MPI-Communication Hiding for Matrix-Free FEM. In ACM International Conference on Supercomputing 2025, Accepted. Highlight

• I. Yamazaki, N. Ellingwood, and S. Rajamanickam, “ShyLU node: On-node Scalable Solvers and Preconditioners Recent Progress and Current Performance”, https://doi.org/10.48550/arXiv.2506.05793.  Highlight

• Chowdhary A, Ahmed SE, Attia A. PyOED: An extensible suite for data assimilation and model-constrained optimal design of experiments. ACM Transactions on Mathematical Software. 2025 Feb 13;50(2):1-22. Highlight

• Tran H, Stoyanov M, Hauck C, Smolentsev S. Surrogate Modeling for MHD Flows in Liquid Metal Fusion Blankets: Initial Assessment with Analytical Solutions. Available at SSRN 5101031. 2025 Jan 14. Highlight

• Ahmed Attia, Sven Leyffer, Todd Munson. Robust A-Optimal Experimental Design for Bayesian Inverse Problems. SIAM/ASA Journal on Uncertainty Quantification, Vol. 13, Iss. 2 (2025) DOI:10.1137/24M1667543.  Highlight

• Nath,  D. D., et al. "A GPU‐Accelerated 3D Unstructured Mesh Based Particle Tracking Code for Multi‐Species Impurity Transport Simulation in Fusion Tokamaks." Contributions to Plasma Physics (2025): e202400073. https://doi.org/10.1002/ctpp.202400073 Highlight

• F. Hasan, C.W. Smith, M.S. Shephard, R.M. Churchill, G.K. Wilkie, P.K. Romano, P.C. Shriwise and J.S. Merson, “GPU Acceleration of Monte Carlo Tallies on Unstructured Meshes in OpenMC with PUMI-Tally”, Arxiv, 2025. https://doi.org/10.48550/arXiv.2504.19048 Highlight

• J. Jakeman et al., “An evaluation of multi-fidelity methods for quantifying uncertainty in projections of ice-sheet mass change”, Earth Syst. Dynam., 16, 513–544 (2025), doi:10.5194/esd-16-513-2025 Highlight 

2024:

• Ahmed Attia. "Probabilistic approach to black-box binary optimization with budget constraints: Application to sensor placement." arXiv preprint arXiv:2406.05830 (2024).  Highlight

• Padmanabha GA, Safta C, Bouklas N, Jones RE. Condensed Stein Variational Gradient Descent for Uncertainty Quantification of Neural Networks. arXiv preprint arXiv:2412.16462. 2024 Dec 21.

• S. Leyffer and P. Manns. McCormick envelopes in mixed-integer PDE-constrained optimization. Mathematical Programming (2024). https://doi.org/10.1007/s10107-024-02181-1  Highlight

• Roel Van Beeumen, Lana Periša, Daniel Kressner, Chao Yang, “Solving a class of infinite‐dimensional tensor eigenvalue problems by translational invariant tensor ring approximations”, Numerical Linear Algebra with Applications, 31(6), e2573, 2024. DOI: 10.1002/nla.2573 

• Vidal N, Gong Q, Reshniak V, Archibald R, Klasky S. Tuning the Interpolation Basis in a Multigrid Decomposition for Local Error Control. In2024 IEEE International Conference on Big Data (BigData) 2024 Dec 15 (pp. 4257-4264). IEEE.  Highlight

• Reshniak V, Ferguson E, Gong Q, Vidal N, Archibald R, Klasky S. Lifting MGARD: Construction of (pre) wavelets on the interval using polynomial predictors of arbitrary order. arXiv preprint arXiv:2408.07212. 2024 Aug 13.  Highlight

• Archibald, Richard, Feng Bao, Yanzhao Cao, and Hui Sun. "Numerical Analysis for Convergence of a Sample-Wise Backpropagation Method for Training Stochastic Neural Networks." SIAM Journal on Numerical Analysis 62, no. 2 (2024): 593-621. Highlight

• Reshniak V, Gong Q, Archibald R, Klasky S, Podhorszki N. A framework for compressing unstructured scientific data via serialization. In2024 IEEE International Conference on Big Data (BigData) 2024 Dec 15 (pp. 4188-4193). IEEE. Highlight

• Gilbert, M.S., Madduri, K., Boman, E.G. and Rajamanickam, S., 2024. Jet: Multilevel graph partitioning on graphics processing units. SIAM Journal on Scientific Computing, 46(5), pp.B700-B724. https://doi.org/10.1137/23M1559129.  Highlight

• Shephard, M.S., Merson, J., Sahni, O., Castillo, A.E., Joshi, A.Y., Nath, D.D., Riaz, U., Seol, E.S., Smith, C.W., Zhang, C. and Beall, M.W., 2024. Unstructured mesh tools for magnetically confined fusion system simulations. Engineering with Computers, 40(5), pp.3319-3336. https://doi.org/10.1007/s00366-024-01976-2.  Highlight

• Andrej, J., Atallah, N., Bäcker, J.P., Camier, J.S., Copeland, D., Dobrev, V., Dudouit, Y., Duswald, T., Keith, B., Kim, D. and Kolev, T., 2024. High-performance finite elements with MFEM. The International Journal of High Performance Computing Applications, 38(5), pp.447-467. https://doi.org/10.1177/10943420241261981 Highlight

2023:

• Abdullah Alperen, Hasan Metin Aktulga, Pieter Maris, Chao Yang, “Hybrid eigensolvers for nuclear configuration interaction calculations”, Computer Physics Communications, 292, 108888, 2023. DOI: 10.1016/j.cpc.2023.108888

• Q. Gong, C. Zhang, X. Liang, V. Reshniak, et al. "Spatiotemporally adaptive compression for scientific dataset with feature preservation–a case study on simulation data with extreme climate events analysis." In 2023 IEEE 19th International Conference on e-Science (e-Science), pp. 1-10. IEEE, 2023.  Highlight

• R. Balin, F. Simini, C. Simpson, A. Shao, A. Rigazzi, M. Ellis, S. Becker, A. Doostan, J.A. Evans, K.E. Jansen, “In Situ Framework for Coupling Simulation and Machine Learning with Application to CFD”, arXiv, https://doi.org/10.48550/arXiv.2306.12900.  Highlight