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Great computational effort is invested in generating equilibrium states for molecular systems using, for example, Markov chain Monte Carlo. We present a probabilistic model that generates statistically independent samples for molecules from…

机器学习 · 统计学 2021-02-09 Gregor N. C. Simm , José Miguel Hernández-Lobato

In recent years, machine learning (ML) methods have become increasingly popular in wireless communication systems for several applications. A critical bottleneck for designing ML systems for wireless communications is the availability of…

信号处理 · 电气工程与系统科学 2025-06-03 Satyavrat Wagle , Akshay Malhotra , Shahab Hamidi-Rad , Aditya Sant , David J. Love , Christopher G. Brinton

Distance metrics and their nonlinear variant play a crucial role in machine learning based real-world problem solving. We demonstrated how Euclidean and cosine distance measures differ not only theoretically but also in real-world medical…

机器学习 · 计算机科学 2021-02-25 Der-Chen Chang , Ophir Frieder , Chi-Feng Hung , Hao-Ren Yao

Spatial networks are networks whose graph topology is constrained by their embedded spatial space. Understanding the coupled spatial-graph properties is crucial for extracting powerful representations from spatial networks. Therefore,…

机器学习 · 计算机科学 2024-01-11 Zheng Zhang , Sirui Li , Jingcheng Zhou , Junxiang Wang , Abhinav Angirekula , Allen Zhang , Liang Zhao

We introduce Deep Set Linearized Optimal Transport, an algorithm designed for the efficient simultaneous embedding of point clouds into an $L^2-$space. This embedding preserves specific low-dimensional structures within the Wasserstein…

机器学习 · 计算机科学 2024-01-04 Scott Mahan , Caroline Moosmüller , Alexander Cloninger

Composite materials with 3D architectures are desirable in a variety of applications for the capability of tailoring their properties to meet multiple functional requirements. By the arrangement of materials' internal components, structure…

材料科学 · 物理学 2023-02-28 Zhengyang Zhang , Han Fang , Zhao Xu , Jiajie Lv , Yao Shen , Yanming Wang

Learning an effective representation of 3D point clouds requires a good metric to measure the discrepancy between two 3D point sets, which is non-trivial due to their irregularity. Most of the previous works resort to using the Chamfer…

计算机视觉与模式识别 · 计算机科学 2021-09-15 Trung Nguyen , Quang-Hieu Pham , Tam Le , Tung Pham , Nhat Ho , Binh-Son Hua

Minimizing the Euclidean distance to a set arises frequently in applications. When the set is algebraic, a measure of complexity of this optimization problem is its number of critical points. In this paper we provide a general framework to…

最优化与控制 · 数学 2015-06-17 Dmitriy Drusvyatskiy , Hon-Leung Lee , Rekha R. Thomas

Generative Adversarial Networks (GANs) have been used to model the underlying probability distribution of sample based datasets. GANs are notoriuos for training difficulties and their dependence on arbitrary hyperparameters. One recent…

机器学习 · 计算机科学 2019-10-03 Thomas Pinetz , Daniel Soukup , Thomas Pock

Generative adversarial networks (GANs) have received a tremendous amount of attention in the past few years, and have inspired applications addressing a wide range of problems. Despite its great potential, GANs are difficult to train.…

机器学习 · 计算机科学 2017-05-09 Zhimin Chen , Yuguang Tong

The Euclidean scattering transform was introduced nearly a decade ago to improve the mathematical understanding of convolutional neural networks. Inspired by recent interest in geometric deep learning, which aims to generalize convolutional…

机器学习 · 统计学 2023-07-26 Michael Perlmutter , Feng Gao , Guy Wolf , Matthew Hirn

Euclidean distance matrices (EDM) are matrices of squared distances between points. The definition is deceivingly simple: thanks to their many useful properties they have found applications in psychometrics, crystallography, machine…

其他计算机科学 · 计算机科学 2016-11-15 Ivan Dokmanic , Reza Parhizkar , Juri Ranieri , Martin Vetterli

Generative Adversarial Networks (GANs) have been impactful on many problems and applications but suffer from unstable training. The Wasserstein GAN (WGAN) leverages the Wasserstein distance to avoid the caveats in the minmax two-player…

机器学习 · 统计学 2021-09-14 Yao Chen , Qingyi Gao , Xiao Wang

Generating synthetic cryogenic electron microscopy 3D density maps from molecular structures has potential important applications in structural biology. Yet existing simulation-based methods cannot mimic all the complex features present in…

机器学习 · 计算机科学 2025-03-04 Chenwei Zhang , Anne Condon , Khanh Dao Duc

In the context of kernel methods, the similarity between data points is encoded by the kernel function which is often defined thanks to the Euclidean distance, a common example being the squared exponential kernel. Recently, other distances…

机器学习 · 计算机科学 2020-02-06 Henri De Plaen , Michaël Fanuel , Johan A. K. Suykens

The high computational complexity and increasing parameter counts of deep neural networks pose significant challenges for deployment in resource-constrained environments, such as edge devices or real-time systems. To address this, we…

机器学习 · 计算机科学 2025-06-17 Laura Erb , Tommaso Boccato , Alexandru Vasilache , Juergen Becker , Nicola Toschi

We propose WarpingGAN, an effective and efficient 3D point cloud generation network. Unlike existing methods that generate point clouds by directly learning the mapping functions between latent codes and 3D shapes, Warping-GAN learns a…

计算机视觉与模式识别 · 计算机科学 2022-03-28 Yingzhi Tang , Yue Qian , Qijian Zhang , Yiming Zeng , Junhui Hou , Xuefei Zhe

The Euclidean distance geometry problem arises in a wide variety of applications, from determining molecular conformations in computational chemistry to localization in sensor networks. When the distance information is incomplete, the…

信息论 · 计算机科学 2018-10-30 Abiy Tasissa , Rongjie Lai

The reconstruction of 3D microstructures from 2D slices is considered to hold significant value in predicting the spatial structure and physical properties of materials.The dimensional extension from 2D to 3D is viewed as a highly…

机器学习 · 计算机科学 2024-02-27 Yilin Zheng , Zhigong Song

We define a class of Euclidean distances on weighted graphs, enabling to perform thermodynamic soft graph clustering. The class can be constructed form the "raw coordinates" encountered in spectral clustering, and can be extended by means…

机器学习 · 统计学 2010-09-15 François Bavaud