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Hamiltonian matrix prediction is pivotal in computational chemistry, serving as the foundation for determining a wide range of molecular properties. While SE(3) equivariant graph neural networks have achieved remarkable success in this…

Machine Learning · Computer Science 2025-05-23 Erpai Luo , Xinran Wei , Lin Huang , Yunyang Li , Han Yang , Zaishuo Xia , Zun Wang , Chang Liu , Bin Shao , Jia Zhang

Large-scale distributed graph-parallel computing is challenging. On one hand, due to the irregular computation pattern and lack of locality, it is hard to express parallelism efficiently. On the other hand, due to the scale-free nature,…

Distributed, Parallel, and Cluster Computing · Computer Science 2013-10-22 Jie Yan , Guangming Tan , Ninghui Sun

Parallel matrix multiplication is one of the most studied fundamental problems in distributed and high performance computing. We obtain a new parallel algorithm that is based on Strassen's fast matrix multiplication and minimizes…

Data Structures and Algorithms · Computer Science 2012-02-16 Grey Ballard , James Demmel , Olga Holtz , Benjamin Lipshitz , Oded Schwartz

Sparse matrix-vector multiplication (SpMV) is a fundamental operation in scientific computing, data analysis, and machine learning. When the data being processed are sensitive, preserving privacy becomes critical, and homomorphic encryption…

Cryptography and Security · Computer Science 2026-03-06 Yang Gao , Gang Quan , Wujie Wen , Scott Piersall , Qian Lou , Liqiang Wang

Deep generative models (DGMs) for graphs achieve impressively high expressive power thanks to very efficient and scalable neural networks. However, these networks contain non-linearities that prevent analytical computation of many standard…

Machine Learning · Computer Science 2025-08-12 Martin Rektoris , Milan Papež , Václav Šmídl , Tomáš Pevný

Hypergraph partitioning is a pervasive NP-hard problem, and accelerating its computation on GPU can both slice time-to-solution and raise quality of results. In this work, we implement a multi-level hypergraph partitioning algorithm on GPU…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-04-17 Marco Ronzani , Cristina Silvano

Using a low-dimensional parametrization of signals is a generic and powerful way to enhance performance in signal processing and statistical inference. A very popular and widely explored type of dimensionality reduction is sparsity; another…

Statistics Theory · Mathematics 2020-04-02 Benjamin Aubin , Bruno Loureiro , Antoine Maillard , Florent Krzakala , Lenka Zdeborová

To operate effectively in the real world, agents should be able to act from high-dimensional raw sensory input such as images and achieve diverse goals across long time-horizons. Current deep reinforcement and imitation learning methods can…

Machine Learning · Computer Science 2020-11-16 Scott Emmons , Ajay Jain , Michael Laskin , Thanard Kurutach , Pieter Abbeel , Deepak Pathak

Multiplication of a sparse matrix to a dense matrix (SpDM) is widely used in many areas like scientific computing and machine learning. However, existing works under-look the performance optimization of SpDM on modern many-core…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-06-01 Shaohuai Shi , Qiang Wang , Xiaowen Chu

Contemporary accelerator designs exhibit a high degree of spatial localization, wherein two-dimensional physical distance determines communication costs between processing elements. This situation presents considerable algorithmic…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-08-09 Yves Baumann , Tal Ben-Nun , Maciej Besta , Lukas Gianinazzi , Torsten Hoefler , Piotr Luczynski

The Kernel Polynomial Method (KPM) is a well-established scheme in quantum physics and quantum chemistry to determine the eigenvalue density and spectral properties of large sparse matrices. In this work we demonstrate the high optimization…

Computational Engineering, Finance, and Science · Computer Science 2015-07-30 Moritz Kreutzer , Georg Hager , Gerhard Wellein , Andreas Pieper , Andreas Alvermann , Holger Fehske

Matrix Factorization (MF) has been widely applied in machine learning and data mining. A large number of algorithms have been studied to factorize matrices. Among them, stochastic gradient descent (SGD) is a commonly used method.…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-06-30 Yuanhang Yu , Dong Wen , Ying Zhang , Xiaoyang Wang , Wenjie Zhang , Xuemin Lin

Deep neural networks often suffer from poor generalization due to complex and non-convex loss landscapes. Sharpness-Aware Minimization (SAM) is a popular solution that smooths the loss landscape by minimizing the maximized change of…

Artificial Intelligence · Computer Science 2023-07-03 Peng Mi , Li Shen , Tianhe Ren , Yiyi Zhou , Tianshuo Xu , Xiaoshuai Sun , Tongliang Liu , Rongrong Ji , Dacheng Tao

This paper addresses spatial programming of sparse matrix computations for productive performance. The challenge is how to express an irregular computation and its optimizations in a regular way. A sparse matrix has (non-zero) values and a…

Mathematical Software · Computer Science 2018-10-18 Hongbo Rong

We propose a framework to model the distribution of sequential data coming from a set of entities connected in a graph with a known topology. The method is based on a mixture of shared hidden Markov models (HMMs), which are jointly trained…

Machine Learning · Computer Science 2019-04-02 Diogo Pernes , Jaime S. Cardoso

In modern data science problems, techniques for extracting value from big data require performing large-scale optimization over heterogenous, irregularly structured data. Much of this data is best represented as multi-relational graphs,…

Artificial Intelligence · Computer Science 2014-06-10 Hui Miao , Xiangyang Liu , Bert Huang , Lise Getoor

Online augmentation of an oblique aerial image sequence with structural information is an essential aspect in the process of 3D scene interpretation and analysis. One key aspect in this is the efficient dense image matching and depth…

Computer Vision and Pattern Recognition · Computer Science 2019-09-24 Boitumelo Ruf , Thomas Pollok , Martin Weinmann

Hardware specialization is becoming a key enabler of energyefficient performance. Future systems will be increasingly heterogeneous, integrating multiple specialized and programmable accelerators, each with different memory demands.…

Hardware Architecture · Computer Science 2021-04-26 Johnathan Alsop , Weon Taek Na , Matthew D. Sinclair , Samuel Grayson , Sarita V. Adve

The increasing complexity of computing systems places a tremendous burden on optimizing compilers, requiring ever more accurate and aggressive optimizations. Machine learning offers significant benefits for constructing optimization…

Machine Learning · Computer Science 2020-03-25 Chris Cummins , Zacharias V. Fisches , Tal Ben-Nun , Torsten Hoefler , Hugh Leather

The subgraph-centric programming model is a promising approach and has been applied in many state-of-the-art distributed graph computing frameworks. However, traditional graph partition algorithms have significant difficulties in processing…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-07-08 Shuai Zhang , Zite Jiang , Xingzhong Hou , Zhen Guan , Mengting Yuan , Haihang You