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In cryo-electron microscopy (EM), molecular structures are determined from large numbers of projection images of individual particles. To harness the full power of this single-molecule information, we use the Bayesian inference of EM…

Biomolecules · Quantitative Biology 2018-01-17 Pilar Cossio , David Rohr , Fabio Baruffa , Markus Rampp , Volker Lindenstruth , Gerhard Hummer

We present teraflop-scale calculations of biomolecular electrostatics enabled by the combination of algorithmic and hardware acceleration. The algorithmic acceleration is achieved with the fast multipole method (FMM) in conjunction with a…

Computational Engineering, Finance, and Science · Computer Science 2011-09-21 Rio Yokota , Jaydeep P. Bardhan , Matthew G. Knepley , L. A. Barba , Tsuyoshi Hamada

Geometric model fitting is a challenging but fundamental computer vision problem. Recently, quantum optimization has been shown to enhance robust fitting for the case of a single model, while leaving the question of multi-model fitting…

Computer Vision and Pattern Recognition · Computer Science 2023-03-28 Matteo Farina , Luca Magri , Willi Menapace , Elisa Ricci , Vladislav Golyanik , Federica Arrigoni

Multiscale techniques have been widely shown to potentially overcome the limitation of homogenization schemes in representing the microscopic failure mechanisms in heterogeneous media as well as their influence on their structural response…

Numerical Analysis · Mathematics 2021-08-10 Fabrizio Greco , Lorenzo Leonetti , Paolo Lonetti , Raimondo Luciano , Andrea Pranno

Fitting complicated models to large datasets is a bottleneck of many analyses. We present GooFit, a library and tool for constructing arbitrarily-complex probability density functions (PDFs) to be evaluated on nVidia GPUs or on multicore…

Distributed, Parallel, and Cluster Computing · Computer Science 2015-06-17 R. Andreassen , B. T. Meadows , M. de Silva , M. D. Sokoloff , K. Tomko

The rapidly growing popularity and scale of data-parallel workloads demand a corresponding increase in raw computational power of GPUs (Graphics Processing Units). As single-GPU systems struggle to satisfy the performance demands, multi-GPU…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-11-15 Yifan Sun , Trinayan Baruah , Saiful A. Mojumder , Shi Dong , Rafael Ubal , Xiang Gong , Shane Treadway , Yuhui Bao , Vincent Zhao , José L. Abellán , John Kim , Ajay Joshi , David Kaeli

Probabilistic graphical models (PGMs) serve as a powerful framework for modeling complex systems with uncertainty and extracting valuable insights from data. However, users face challenges when applying PGMs to their problems in terms of…

Machine Learning · Computer Science 2024-05-29 Jiantong Jiang , Zeyi Wen , Peiyu Yang , Atif Mansoor , Ajmal Mian

We propose a reduced space mixed finite element method (MFEM) built on a Skinning Eigenmode subspace and material-aware cubature scheme. Our solver is well-suited for simulating scenes with large material and geometric heterogeneities in…

Graphics · Computer Science 2024-05-24 Ty Trusty , Otman Benchekroun , Eitan Grinspun , Danny M. Kaufman , David I. W. Levin

Universal machine learning interatomic potentials (uMLIPs) have emerged as powerful tools for accelerating atomistic simulations, offering scalable and efficient modeling with accuracy close to quantum calculations. However, their…

Materials Science · Physics 2025-07-17 Hendrik Kraß , Ju Huang , Seyed Mohamad Moosavi

Multiresolution Matrix Factorization (MMF) was recently introduced as a method for finding multiscale structure and defining wavelets on graphs/matrices. In this paper we derive pMMF, a parallel algorithm for computing the MMF…

Numerical Analysis · Computer Science 2015-07-17 Risi Kondor , Nedelina Teneva , Pramod K. Mudrakarta

Highly-parallel graphics processing units (GPUs) can improve the speed of micromagnetic simulations significantly as compared to conventional computing using central processing units (CPUs). We present a strategy for performing…

Computational Physics · Physics 2015-12-18 C. L. Jermain , G. E. Rowlands , R. A. Buhrman , D. C. Ralph

Graphics Processing Units (GPUs) leverage massive parallelism and large memory bandwidth to support high-performance computing applications, such as multimedia rendering, crypto-mining, deep learning, and natural language processing. These…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-11-11 Nurlan Nazaraliyev , Elaheh Sadredini , Nael Abu-Ghazaleh

Kernel matrix-vector multiplication (KMVM) is a foundational operation in machine learning and scientific computing. However, as KMVM tends to scale quadratically in both memory and time, applications are often limited by these…

Numerical Analysis · Mathematics 2025-02-25 Robert Hu , Siu Lun Chau , Dino Sejdinovic , Joan Alexis Glaunès

Despite advancements in generating visually stunning content, video diffusion models (VDMs) often yield physically inconsistent results due to pixel-only reconstruction. To address this, we propose MMPhysVideo, the first framework to scale…

Computer Vision and Pattern Recognition · Computer Science 2026-04-06 Shubo Lin , Xuanyang Zhang , Wei Cheng , Weiming Hu , Gang Yu , Jin Gao

While Structure from Motion (SfM) achieves great success in 3D reconstruction, it still meets challenges on large scale scenes. In this work, large scale SfM is deemed as a graph problem, and we tackle it in a divide-and-conquer manner.…

Computer Vision and Pattern Recognition · Computer Science 2020-06-09 Yu Chen , Shuhan Shen , Yisong Chen , Guoping Wang

The scaling of computation throughput continues to outpace improvements in memory bandwidth, making many deep learning workloads memory-bound. Kernel fusion is a key technique to alleviate this problem, but the fusion strategies of existing…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-12-16 Ziyu Huang , Yangjie Zhou , Zihan Liu , Xinhao Luo , Yijia Diao , Minyi Guo , Jidong Zhai , Yu Feng , Chen Zhang , Anbang Wu , Jingwen Leng

Large deep learning models have demonstrated strong ability to solve many tasks across a wide range of applications. Those large models typically require training and inference to be distributed. Tensor parallelism is a common technique…

Machine learning algorithms must be able to efficiently cope with massive data sets. Therefore, they have to scale well on any modern system and be able to exploit the computing power of accelerators independent of their vendor. In the…

Machine Learning · Computer Science 2022-09-07 Alexander Van Craen , Marcel Breyer , Dirk Pflüger

Modern high-performance computing architectures (Multicore, GPU, Manycore) are based on tightly-coupled clusters of processing elements, physically implemented as rectangular tiles. Their size and aspect ratio strongly impact the achievable…

Hardware Architecture · Computer Science 2022-09-05 Gianna Paulin , Matheus Cavalcante , Paul Scheffler , Luca Bertaccini , Yichao Zhang , Frank Gürkaynak , Luca Benini

The goal of multimodal alignment is to learn a single latent space that is shared between multimodal inputs. The most powerful models in this space have been trained using massive datasets of paired inputs and large-scale computational…