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Contemporary graph learning algorithms are not well-defined for large molecules since they do not consider the hierarchical interactions among the atoms, which are essential to determine the molecular properties of macromolecules. In this…

Machine Learning · Computer Science 2023-08-02 Nhat Khang Ngo , Truong Son Hy , Risi Kondor

In this paper, a Feature-preserving Particle Generation (FPPG) method for arbitrary complex geometry is proposed. Instead of basing on implicit geometries, such as level-set, FPPG employs an explicit geometric representation for the…

Computational Physics · Physics 2025-01-07 Xingyue Yang , Zhenxiang Nie , Yuxin Dai , Zhe Ji

In this paper, we evaluate the effectiveness of deep operator networks (DeepONets) in solving both forward and inverse problems of partial differential equations (PDEs) on unknown manifolds. By unknown manifolds, we identify the manifold by…

Numerical Analysis · Mathematics 2024-07-09 Anran Jiao , Qile Yan , Jhn Harlim , Lu Lu

Complex-valued Transformers have largely inherited softmax attention from real-valued architectures. However, row-normalised token competition is not necessarily aligned with phase-preserving computation. In this paper, we introduce the…

Machine Learning · Computer Science 2026-05-12 Leona Hioki

Learning solution operators of partial differential equations (PDEs) from data has emerged as a promising route to fast surrogate models in multi-query scientific workflows. However, for geometric PDEs whose inputs and outputs transform…

Artificial Intelligence · Computer Science 2026-03-17 Pengcheng Cheng

Detecting transmission towers from synthetic aperture radar (SAR) images remains a challenging task due to the comparatively small size and side-looking geometry, with background clutter interference frequently hindering tower…

Computer Vision and Pattern Recognition · Computer Science 2024-04-02 Tianyang Li , Chao Wang , Hong Zhang

We introduce Perturbative Gradient Training (PGT), a novel training paradigm that overcomes a critical limitation of physical reservoir computing: the inability to perform backpropagation due to the black-box nature of physical reservoirs.…

Machine Learning · Computer Science 2025-06-06 Cliff B. Abbott , Mark Elo , Dmytro A. Bozhko

Recently, leveraging pre-training techniques to enhance point cloud models has become a prominent research topic. However, existing approaches typically require full fine-tuning of pre-trained models to achieve satisfactory performance on…

Computer Vision and Pattern Recognition · Computer Science 2025-07-29 Dingkang Liang , Tianrui Feng , Xin Zhou , Yumeng Zhang , Zhikang Zou , Xiang Bai

Accurate and physically consistent modeling of Earth system dynamics requires machine-learning architectures that operate directly on continuous geophysical fields and preserve their underlying geometric structure. Here we introduce…

Machine Learning · Computer Science 2025-12-24 Maximilian Witte , Johannes Meuer , Étienne Plésiat , Christopher Kadow

We introduce ECHO, a transformer-operator framework for generating million-point PDE trajectories. While existing neural operators (NOs) have shown promise for solving partial differential equations, they remain limited in practice due to…

Machine Learning · Computer Science 2025-12-05 Armand Kassaï Koupaï , Lise Le Boudec , Patrick Gallinari

Although deep models have been widely explored in solving partial differential equations (PDEs), previous works are primarily limited to data only with up to tens of thousands of mesh points, far from the million-point scale required by…

Machine Learning · Computer Science 2025-02-10 Huakun Luo , Haixu Wu , Hang Zhou , Lanxiang Xing , Yichen Di , Jianmin Wang , Mingsheng Long

Modern digital engineering design process commonly involves expensive repeated simulations on varying three-dimensional (3D) geometries. The efficient prediction capability of neural networks (NNs) makes them a suitable surrogate to provide…

Computational Engineering, Finance, and Science · Computer Science 2024-06-17 Junyan He , Seid Koric , Diab Abueidda , Ali Najafi , Iwona Jasiuk

Preserving geometric structure is important in learning. We propose a unified class of geometry-aware architectures that interleave geometric updates between layers, where both projection layers and intrinsic exponential map updates arise…

Machine Learning · Computer Science 2026-02-04 Karthik Elamvazhuthi , Shiba Biswal , Kian Rosenblum , Arushi Katyal , Tianli Qu , Grady Ma , Rishi Sonthalia

Problems involving geometric data arise in physics, chemistry, robotics, computer vision, and many other fields. Such data can take numerous forms, for instance points, direction vectors, translations, or rotations, but to date there is no…

Machine Learning · Computer Science 2023-11-21 Johann Brehmer , Pim de Haan , Sönke Behrends , Taco Cohen

LiDAR-based 3D single object tracking is a challenging issue in robotics and autonomous driving. Currently, existing approaches usually suffer from the problem that objects at long distance often have very sparse or partially-occluded point…

Computer Vision and Pattern Recognition · Computer Science 2022-09-05 Jiayao Shan , Sifan Zhou , Yubo Cui , Zheng Fang

Point scene understanding is a challenging task to process real-world scene point cloud, which aims at segmenting each object, estimating its pose, and reconstructing its mesh simultaneously. Recent state-of-the-art method first segments…

Computer Vision and Pattern Recognition · Computer Science 2024-03-26 Xiaoxuan Yu , Hao Wang , Weiming Li , Qiang Wang , Soonyong Cho , Younghun Sung

Jet tagging is an essential categorization problem in high energy physics. In recent times, Deep Learning has not only risen to the challenge of jet tagging but also significantly improved its performance. In this article, we proposed an…

High Energy Physics - Phenomenology · Physics 2024-07-17 Muhammad Usman , M Husnain Shahid , Maheen Ejaz , Ummay Hani , Nayab Fatima , Abdul Rehman Khan , Asifullah Khan , Nasir Majid Mirza

Accurate segmentation of aortic vascular structures is critical for diagnosing and treating cardiovascular diseases.Traditional Transformer-based models have shown promise in this domain by capturing long-range dependencies between vascular…

Computer Vision and Pattern Recognition · Computer Science 2025-11-12 Zhenxi Zhang , Fuchen Zheng , Adnan Iltaf , Yifei Han , Zhenyu Cheng , Yue Du , Bin Li , Tianyong Liu , Shoujun Zhou

Gradient-based meta-learning methods have primarily been applied to classical machine learning tasks such as image classification. Recently, PDE-solving deep learning methods, such as neural operators, are starting to make an important…

Machine Learning · Computer Science 2023-02-06 Lu Zhang , Huaiqian You , Tian Gao , Mo Yu , Chung-Hao Lee , Yue Yu

Motivation: Despite its great success in various physical modeling, differential geometry (DG) has rarely been devised as a versatile tool for analyzing large, diverse and complex molecular and biomolecular datasets due to the limited…

Quantitative Methods · Quantitative Biology 2018-06-12 Duc Duy Nguyen , Guo-Wei Wei
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