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We present Geo2DR (Geometric to Distributed Representations), a GPU ready Python library for unsupervised learning on graph-structured data using discrete substructure patterns and neural language models. It contains efficient…

Machine Learning · Computer Science 2020-07-10 Paul Scherer , Pietro Lio

Recent advancements in neural rendering techniques have significantly enhanced the fidelity of 3D reconstruction. Notably, the emergence of 3D Gaussian Splatting (3DGS) has marked a significant milestone by adopting a discrete scene…

Computer Vision and Pattern Recognition · Computer Science 2024-05-24 Licheng Shen , Ho Ngai Chow , Lingyun Wang , Tong Zhang , Mengqiu Wang , Yuxing Han

We introduce an algorithm based on Generalized Dual Method (GDM) to efficiently study the dynamics of a particle in quasiperiodic environments without the need to use periodic approximations or to save the information of the vertices that…

Chaotic Dynamics · Physics 2022-04-28 Alan Rodrigo Mendoza Sosa , Atahualpa S. Kraemer

We introduce an efficient open-source python package for the inverse design of three-dimensional photonic nanostructures using the Finite-Difference Time-Domain (FDTD) method. Leveraging a flexible reverse-mode automatic differentiation…

High-order Discontinuous Galerkin (DG) methods offer excellent accuracy for turbulent flow simulations, especially when implemented on GPU-oriented architectures that favor very high polynomial orders. On modern GPUs, high-order polynomial…

Machine-learned interatomic potentials have revolutionized molecular dynamics simulations by providing quantum-mechanical accuracy at empirical-potential speeds. The graphics processing unit molecular dynamics (GPUMD) package, featuring the…

Algorithmic formulations of GPU programs provide a high-level alternative to device-specific code by expressing computations as compositions of well-defined parallel primitives (e.g., map, sort, reduce), rather than through handcrafted GPU…

Computational Physics · Physics 2026-04-21 Raphael Maggio-Aprile , Maxime Rambosson , Christophe Coreixas , Jonas Latt

Modern generative modeling has grown into a broad collection of related but often separately implemented paradigms, including denoising diffusion models, score-based stochastic differential equations, flow matching, variational…

Machine Learning · Computer Science 2026-05-19 Liang Yan

Gradient Boosted Decision Tree (GBDT) is a widely-used machine learning algorithm that has been shown to achieve state-of-the-art results on many standard data science problems. We are interested in its application to multioutput problems…

Machine Learning · Computer Science 2022-11-24 Leonid Iosipoi , Anton Vakhrushev

Open-vocabulary panoptic reconstruction is essential for advanced robotics perception and simulation. However, existing methods based on 3D Gaussian Splatting (3DGS) often struggle to simultaneously achieve geometric accuracy, coherent…

Robotics · Computer Science 2026-04-14 Xuan Yu , Yuxuan Xie , Changjian Jiang , Shichao Zhai , Rong Xiong , Yu Zhang , Yue Wang

In this study, we present a novel computational framework that integrates the finite volume method with graph neural networks to address the challenges in Physics-Informed Neural Networks(PINNs). Our approach leverages the flexibility of…

Fluid Dynamics · Physics 2024-05-08 Tianyu Li , Yiye Zou , Shufan Zou , Xinghua Chang , Laiping Zhang , Xiaogang Deng

Diffusion models have excelled in generating natural images and are now being adapted to a variety of data types, including graphs. However, conventional models often rely on Gaussian or categorical diffusion processes, which can struggle…

Machine Learning · Computer Science 2024-10-08 Xinyang Liu , Yilin He , Bo Chen , Mingyuan Zhou

Most deep neural networks deployed today are trained using GPUs via high-level frameworks such as TensorFlow and PyTorch. This paper describes changes we made to the GPGPU-Sim simulator to enable it to run PyTorch by running PTX kernels…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-01-29 Jonathan Lew , Deval Shah , Suchita Pati , Shaylin Cattell , Mengchi Zhang , Amruth Sandhupatla , Christopher Ng , Negar Goli , Matthew D. Sinclair , Timothy G. Rogers , Tor Aamodt

Efficient and robust 3D scene representation is crucial in autonomous driving, robotics, and related fields. While RGB images provide valuable content for 3D reconstruction, other modalities like thermal or depth can enable additional…

Computer Vision and Pattern Recognition · Computer Science 2026-05-29 Manoj Biswanath , Chenxin Cai , Hannah Schieber , Daniel Roth , Benjamin Busam

Molecular Dynamics (MD) simulation is a powerful tool for understanding the dynamics and structure of matter. Since the resolution of MD is atomic-scale, achieving long time-scale simulations with femtosecond integration is very expensive.…

Machine Learning · Computer Science 2022-04-27 Zijie Li , Kazem Meidani , Prakarsh Yadav , Amir Barati Farimani

Deep neural networks are powerful tools for approximating functions, and they are applied to successfully solve various problems in many fields. In this paper, we propose a neural network-based numerical method to solve partial differential…

Numerical Analysis · Mathematics 2022-02-01 Yong Shang , Fei Wang , Jingbo Sun

We introduce PyTorch Geometric, a library for deep learning on irregularly structured input data such as graphs, point clouds and manifolds, built upon PyTorch. In addition to general graph data structures and processing methods, it…

Machine Learning · Computer Science 2019-04-26 Matthias Fey , Jan Eric Lenssen

The gradient discretisation method (GDM) is a generic framework for designing and analysing numerical schemes for diffusion models. In this paper, we study the GDM for the porous medium equation, including fast diffusion and slow diffusion…

Numerical Analysis · Mathematics 2020-04-02 Jerome Droniou , Kim-Ngan Le

The udkm1Dsim toolbox is a collection of Python classes and routines to simulate the thermal, structural, and magnetic dynamics after laser excitation as well as the according X-ray scattering response in one-dimensional sample structures.…

Computational Physics · Physics 2021-05-31 Daniel Schick

The integration of RGB and depth modalities significantly enhances the accuracy of segmenting complex indoor scenes, with depth data from RGB-D cameras playing a crucial role in this improvement. However, collecting an RGB-D dataset is more…

Computer Vision and Pattern Recognition · Computer Science 2025-03-25 Xinhua Xu , Hong Liu , Jianbing Wu , Jinfu Liu