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Accurate aerodynamic field prediction is crucial for vehicle drag evaluation, but the computational cost of high-fidelity CFD hinders its use in iterative design workflows. While learning-based methods enable fast and scalable inference,…

Computational Engineering, Finance, and Science · Computer Science 2026-02-25 Zhenhua Zheng , Lu Zhang , Junhong Zou , Shitong Liu , Zhen Lei , Xiangyu Zhu , Zhiyong Liu

Prediction tasks over nodes and edges in networks require careful effort in engineering features used by learning algorithms. Recent research in the broader field of representation learning has led to significant progress in automating…

Social and Information Networks · Computer Science 2016-07-05 Aditya Grover , Jure Leskovec

Since the advent of Neural Radiance Fields, novel view synthesis has received tremendous attention. The existing approach for the generalization of radiance field reconstruction primarily constructs an encoding volume from nearby source…

Computer Vision and Pattern Recognition · Computer Science 2023-08-09 Jingliang Li , Qiang Zhou , Chaohui Yu , Zhengda Lu , Jun Xiao , Zhibin Wang , Fan Wang

We develop Riemannian approaches to variational autoencoders (VAEs) for PDE-type ambient data with regularizing geometric latent dynamics, which we refer to as VAE-DLM, or VAEs with dynamical latent manifolds. We redevelop the VAE framework…

Machine Learning · Computer Science 2026-01-21 Andrew Gracyk

A computed approximation of the solution operator to a system of partial differential equations (PDEs) is needed in various areas of science and engineering. Neural operators have been shown to be quite effective at predicting these…

Machine Learning · Computer Science 2024-12-02 Zan Ahmad , Shiyi Chen , Minglang Yin , Avisha Kumar , Nicolas Charon , Natalia Trayanova , Mauro Maggioni

In many real-world applications of regression, conditional probability estimation, and uncertainty quantification, exploiting symmetries rooted in physics or geometry can dramatically improve generalization and sample efficiency. While…

Machine Learning · Computer Science 2025-05-28 Daniel Ordoñez-Apraez , Vladimir Kostić , Alek Fröhlich , Vivien Brandt , Karim Lounici , Massimiliano Pontil

We introduce Probabilistic Coordinate Fields (PCFs), a novel geometric-invariant coordinate representation for image correspondence problems. In contrast to standard Cartesian coordinates, PCFs encode coordinates in correspondence-specific…

Computer Vision and Pattern Recognition · Computer Science 2023-06-21 Weiyue Zhao , Hao Lu , Xinyi Ye , Zhiguo Cao , Xin Li

In this work, we introduce implicit Finite Operator Learning (iFOL) for the continuous and parametric solution of partial differential equations (PDEs) on arbitrary geometries. We propose a physics-informed encoder-decoder network to…

Machine Learning · Computer Science 2025-12-09 Reza Najian Asl , Yusuke Yamazaki , Kianoosh Taghikhani , Mayu Muramatsu , Markus Apel , Shahed Rezaei

Including covariant information, such as position, force, velocity or spin is important in many tasks in computational physics and chemistry. We introduce Steerable E(3) Equivariant Graph Neural Networks (SEGNNs) that generalise equivariant…

Machine Learning · Computer Science 2022-03-29 Johannes Brandstetter , Rob Hesselink , Elise van der Pol , Erik J Bekkers , Max Welling

Data over non-Euclidean manifolds, often discretized as surface meshes, naturally arise in computer graphics and biological and physical systems. In particular, solutions to partial differential equations (PDEs) over manifolds depend…

Machine Learning · Computer Science 2023-11-06 Jung Yeon Park , Lawson L. S. Wong , Robin Walters

Due to their high computational efficiency on a continuous space, gradient optimization methods have shown great potential in the neural architecture search (NAS) domain. The mapping of network representation from the discrete space to a…

Machine Learning · Computer Science 2020-06-20 Jian Li , Yong Liu , Jiankun Liu , Weiping Wang

Many modern applications involve predicting structured, non-Euclidean outputs such as probability distributions, networks, and symmetric positive-definite matrices. These outputs are naturally modeled as elements of general metric spaces,…

Machine Learning · Statistics 2025-09-30 Yidong Zhou , Su I Iao , Hans-Georg Müller

We introduce an unsupervised technique for encoding point clouds into a canonical shape representation, by disentangling shape and pose. Our encoder is stable and consistent, meaning that the shape encoding is purely pose-invariant, while…

Computer Vision and Pattern Recognition · Computer Science 2022-04-05 Oren Katzir , Dani Lischinski , Daniel Cohen-Or

Knowledge Graph Embeddings (KGEs) have shown promising performance on link prediction tasks by mapping the entities and relations from a knowledge graph into a geometric space (usually a vector space). Ultimately, the plausibility of the…

Machine Learning · Computer Science 2020-10-20 Mojtaba Nayyeri , Chengjin Xu , Jens Lehmann , Sahar Vahdati

Generating learning-friendly representations for points in space is a fundamental and long-standing problem in ML. Recently, multi-scale encoding schemes (such as Space2Vec and NeRF) were proposed to directly encode any point in 2D/3D…

Computer Vision and Pattern Recognition · Computer Science 2023-07-04 Gengchen Mai , Yao Xuan , Wenyun Zuo , Yutong He , Jiaming Song , Stefano Ermon , Krzysztof Janowicz , Ni Lao

Visual localization techniques rely upon some underlying scene representation to localize against. These representations can be explicit such as 3D SFM map or implicit, such as a neural network that learns to encode the scene. The former…

Computer Vision and Pattern Recognition · Computer Science 2024-06-13 Maxime Pietrantoni , Gabriela Csurka , Martin Humenberger , Torsten Sattler

We introduce a new class of spatially stochastic physics and data informed deep latent models for parametric partial differential equations (PDEs) which operate through scalable variational neural processes. We achieve this by assigning…

Machine Learning · Computer Science 2023-06-08 Arnaud Vadeboncoeur , Ieva Kazlauskaite , Yanni Papandreou , Fehmi Cirak , Mark Girolami , Ömer Deniz Akyildiz

We survey the mathematical foundations of geometric deep learning, focusing on group equivariant and gauge equivariant neural networks. We develop gauge equivariant convolutional neural networks on arbitrary manifolds $\mathcal{M}$ using…

We have developed an extended distance matrix approach to study the molecular geometric configuration through spectral decomposition. It is shown that the positions of all atoms in the eigen-space can be specified precisely by their…

Materials Science · Physics 2017-05-24 Xiao-Tian Li , Xiao-bao Yang , Yu-Jun Zhao

Neural implicit reconstruction via volume rendering has demonstrated its effectiveness in recovering dense 3D surfaces. However, it is non-trivial to simultaneously recover meticulous geometry and preserve smoothness across regions with…

Computer Vision and Pattern Recognition · Computer Science 2025-04-09 Ziyu Tang , Weicai Ye , Yifan Wang , Di Huang , Hujun Bao , Tong He , Guofeng Zhang
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