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Unsupervised machine learning has recently gained much attention in the field of molecular dynamics (MD). Particularly, dimensionality reduction techniques have been regularly employed to analyze large volumes of high-dimensional MD data to…

Chemical Physics · Physics 2025-05-23 Patryk Tajs , Mateusz Skarupski , Jakub Rydzewski

Node embeddings are a powerful tool in the analysis of networks; yet, their full potential for the important task of node clustering has not been fully exploited. In particular, most state-of-the-art methods generating node embeddings of…

Social and Information Networks · Computer Science 2022-02-24 Yixuan He , Gesine Reinert , Songchao Wang , Mihai Cucuringu

We study the problem of visualizing large-scale and high-dimensional data in a low-dimensional (typically 2D or 3D) space. Much success has been reported recently by techniques that first compute a similarity structure of the data points…

Machine Learning · Computer Science 2016-04-06 Jian Tang , Jingzhou Liu , Ming Zhang , Qiaozhu Mei

This paper introduces the Strain Elevation Tension Spring embedding (SETSe) algorithm, a graph embedding method that uses a physics model to create node and edge embeddings in undirected attribute networks. Using a low-dimensional…

Social and Information Networks · Computer Science 2020-07-21 Jonathan Bourne

An increasing number of multi-view data are being published by studies in several fields. This type of data corresponds to multiple data-views, each representing a different aspect of the same set of samples. We have recently proposed…

Machine Learning · Computer Science 2021-11-08 Theodoulos Rodosthenous , Vahid Shahrezaei , Marina Evangelou

Hyperbolic space can naturally embed hierarchies that often exist in real-world data and semantics. While high-dimensional hyperbolic embeddings lead to better representations, most hyperbolic models utilize low-dimensional embeddings, due…

Machine Learning · Computer Science 2022-05-17 Yunhui Guo , Haoran Guo , Stella Yu

Representing the nodes of continuous-time temporal graphs in a low-dimensional latent space has wide-ranging applications, from prediction to visualization. Yet, analyzing continuous-time relational data with timestamped interactions…

Machine Learning · Computer Science 2024-05-28 Raphaël Romero , Jefrey Lijffijt , Riccardo Rastelli , Marco Corneli , Tijl De Bie

Node embeddings are a paradigm in non-parametric graph representation learning, where graph nodes are embedded into a given vector space to enable downstream processing. State-of-the-art node-embedding algorithms, such as DeepWalk and…

Machine Learning · Computer Science 2025-11-25 Jan Niklas Böhm , Marius Keute , Alica Guzmán , Sebastian Damrich , Andrew Draganov , Dmitry Kobak

The quality of GAN-generated images on the MNIST dataset was explored in this paper by comparing them to the original images using t-distributed stochastic neighbor embedding (t- SNE) visualization. A GAN was trained with the dataset to…

Computer Vision and Pattern Recognition · Computer Science 2023-05-18 Okan Düzyel

High-dimensional data visualization is crucial in the big data era and these techniques such as t-SNE and UMAP have been widely used in science and engineering. Big data, however, is often distributed across multiple data centers and…

Machine Learning · Computer Science 2024-12-19 Dong Qiao , Xinxian Ma , Jicong Fan

We describe a new method called t-ETE for finding a low-dimensional embedding of a set of objects in Euclidean space. We formulate the embedding problem as a joint ranking problem over a set of triplets, where each triplet captures the…

Artificial Intelligence · Computer Science 2017-05-18 Ehsan Amid , Nikos Vlassis , Manfred K. Warmuth

tSNE and UMAP are popular dimensionality reduction algorithms due to their speed and interpretable low-dimensional embeddings. Despite their popularity, however, little work has been done to study their full span of differences. We…

Spectral clustering is a leading and popular technique in unsupervised data analysis. Two of its major limitations are scalability and generalization of the spectral embedding (i.e., out-of-sample-extension). In this paper we introduce a…

Machine Learning · Statistics 2024-11-06 Uri Shaham , Kelly Stanton , Henry Li , Boaz Nadler , Ronen Basri , Yuval Kluger

We propose a new method for data visualization based on attraction-repulsion swarming (ARS) dynamics, which we call ARS visualization. ARS is a generalized framework that is based on viewing the t-distributed stochastic neighbor embedding…

Machine Learning · Computer Science 2024-11-19 Jingcheng Lu , Jeff Calder

Studying complex real-world phenomena often involves data from multiple views (e.g. sensor modalities or brain regions), each capturing different aspects of the underlying system. Within neuroscience, there is growing interest in…

We use graphical methods to probe neural nets that classify images. Plots of t-SNE outputs at successive layers in a network reveal increasingly organized arrangement of the data points. They can also reveal how a network can diminish or…

Machine Learning · Computer Science 2021-07-28 Christopher R. Hoyt , Art B. Owen

Similar to many Machine Learning models, both accuracy and speed of the Cluster weighted models (CWMs) can be hampered by high-dimensional data, leading to previous works on a parsimonious technique to reduce the effect of "Curse of…

Machine Learning · Statistics 2022-08-03 Kehinde Olobatuyi

Traditional network analysis focuses on single-layer networks, real-world systems often form multilayer networks with multiple relationship types. However, existing methods typically fail to capture complex inter-layer dependencies by…

Spectral Clustering is a popular technique to split data points into groups, especially for complex datasets. The algorithms in the Spectral Clustering family typically consist of multiple separate stages (such as similarity matrix…

Machine Learning · Computer Science 2019-11-04 Yifei Wang , Rui Liu , Yong Chen , Hui Zhangs , Zhiwen Ye

In contrast to classical techniques for exploratory analysis of high-dimensional data sets, such as principal component analysis (PCA), neighbor embedding (NE) techniques tend to better preserve the local structure/topology of…

Machine Learning · Statistics 2022-09-07 Roman Josef Rainer , Michael Mayr , Johannes Himmelbauer , Ramin Nikzad-Langerodi
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