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While complex simulations of physical systems have been widely used in engineering and scientific computing, lowering their often prohibitive computational requirements has only recently been tackled by deep learning approaches. In this…

Numerical Analysis · Mathematics 2023-10-26 Chuanbo Hua , Federico Berto , Michael Poli , Stefano Massaroli , Jinkyoo Park

Improving both accuracy and computational performance of numerical tools is a major challenge for seismic imaging and generally requires specialized implementations to make full use of modern parallel architectures. We present a…

Computational Physics · Physics 2015-10-28 Axel Modave , Amik St-Cyr , Wim A. Mulder , Tim Warburton

Learning in deep neural networks (DNNs) is implemented through minimizing a highly non-convex loss function, typically by a stochastic gradient descent (SGD) method. This learning process can effectively find good wide minima without being…

Machine Learning · Computer Science 2021-07-27 Guozhang Chen , Cheng Kevin Qu , Pulin Gong

Diffusion generative models have emerged as a powerful framework for addressing problems in structural biology and structure-based drug design. These models operate directly on 3D molecular structures. Due to the unfavorable scaling of…

Biomolecules · Quantitative Biology 2024-05-10 Ian Dunn , David Ryan Koes

Graph neural networks (GNNs) are naturally distributed architectures for learning representations from network data. This renders them suitable candidates for decentralized tasks. In these scenarios, the underlying graph often changes with…

Machine Learning · Computer Science 2022-08-31 Zhan Gao , Fernando Gama , Alejandro Ribeiro

Deep generative models (DGM) are neural networks with many hidden layers trained to approximate complicated, high-dimensional probability distributions using a large number of samples. When trained successfully, we can use the DGMs to…

Machine Learning · Computer Science 2021-04-13 Lars Ruthotto , Eldad Haber

Large-scale or high-resolution geologic models usually comprise a huge number of grid blocks, which can be computationally demanding and time-consuming to solve with numerical simulators. Therefore, it is advantageous to upscale geologic…

Machine Learning · Computer Science 2022-01-04 Nanzhe Wang , Qinzhuo Liao , Haibin Chang , Dongxiao Zhang

Dynamic Graph Neural Networks (DGNNs) have been broadly applied in various real-life applications, such as link prediction and pandemic forecast, to capture both static structural information and temporal characteristics from dynamic…

Machine Learning · Computer Science 2023-06-13 Chunyang Wang , Desen Sun , Yuebin Bai

Plasmonic nanostructures significantly improve the performance of photoconductive devices (PCDs) in generating terahertz radiation. However, they are geometrically intricate and result in complicated electromagnetic (EM) field and carrier…

Numerical Analysis · Mathematics 2020-10-14 Liang Chen , Hakan Bagci

This work deals with Direct Numerical Simulations (DNS) and Large Eddy Simulations (LES) of turbulent gravity currents, performed by means of a Discontinuous Galerkin (DG) Finite Element method. In particular, a DG-LES approach in which the…

Computational Physics · Physics 2016-12-23 C. Bassi , A. Abbà , L. Bonaventura , L. Valdettaro

Dynamic Mode Decomposition (DMD) is a powerful tool for extracting spatial and temporal patterns from multi-dimensional time series, and it has been used successfully in a wide range of fields, including fluid mechanics, robotics, and…

Dynamical Systems · Mathematics 2021-09-07 Ziyou Wu , Steven L. Brunton , Shai Revzen

A nonlocal subgrid-scale stress (SGS) model is developed based on the convolution neural network (CNN), a powerful supervised data-driven approach. The CNN is an ideal approach to naturally consider nonlocal spatial information in…

Fluid Dynamics · Physics 2023-01-27 Bo Liu , Huiyang Yu , Haibo Huang , Xi-Yun Lu

Functional brain dynamics is supported by parallel and overlapping functional network modes that are associated with specific neural circuits. Decomposing these network modes from fMRI data and finding their temporal characteristics is…

Artificial Intelligence · Computer Science 2023-12-08 Md Asadullah Turja , Martin Styner , Guorong Wu

We present novel empirical observations regarding how stochastic gradient descent (SGD) navigates the loss landscape of over-parametrized deep neural networks (DNNs). These observations expose the qualitatively different roles of learning…

Machine Learning · Statistics 2018-05-31 Chen Xing , Devansh Arpit , Christos Tsirigotis , Yoshua Bengio

Graph neural networks (GNNs) are a popular class of machine learning models whose major advantage is their ability to incorporate a sparse and discrete dependency structure between data points. Unfortunately, GNNs can only be used when such…

Machine Learning · Computer Science 2020-06-22 Luca Franceschi , Mathias Niepert , Massimiliano Pontil , Xiao He

We present diffusion-convolutional neural networks (DCNNs), a new model for graph-structured data. Through the introduction of a diffusion-convolution operation, we show how diffusion-based representations can be learned from…

Machine Learning · Computer Science 2016-07-11 James Atwood , Don Towsley

Dynamic scene reconstruction from monocular video is essential for real-world applications. We introduce DGNS, a hybrid framework integrating \underline{D}eformable \underline{G}aussian Splatting and Dynamic \underline{N}eural…

Computer Vision and Pattern Recognition · Computer Science 2025-08-15 Xuesong Li , Jinguang Tong , Jie Hong , Vivien Rolland , Lars Petersson

Forecasting future stock trends remains challenging for academia and industry due to stochastic inter-stock dynamics and hierarchical intra-stock dynamics influencing stock prices. In recent years, graph neural networks have achieved…

Machine Learning · Computer Science 2024-03-05 Zinuo You , Zijian Shi , Hongbo Bo , John Cartlidge , Li Zhang , Yan Ge

Molecular dynamics (MD) simulation predicts the trajectory of atoms by solving Newton's equation of motion with a numeric integrator. Due to physical constraints, the time step of the integrator need to be small to maintain sufficient…

Computational Physics · Physics 2021-12-22 Tianze Zheng , Weihao Gao , Chong Wang

Dynamic scenes rendering is an intriguing yet challenging problem. Although current methods based on NeRF have achieved satisfactory performance, they still can not reach real-time levels. Recently, 3D Gaussian Splatting (3DGS) has garnered…

Computer Vision and Pattern Recognition · Computer Science 2024-11-07 Jiahao Lu , Jiacheng Deng , Ruijie Zhu , Yanzhe Liang , Wenfei Yang , Tianzhu Zhang , Xu Zhou