Related papers: Comparing unsupervised learning methods for local …

Unsupervised feature learning for point clouds has been vital for large-scale point cloud understanding. Recent deep learning based methods depend on learning global geometry from self-reconstruction. However, these methods are still…

This paper presents an unsupervised deep-learning framework named Local Deep-Feature Alignment (LDFA) for dimension reduction. We construct neighbourhood for each data sample and learn a local Stacked Contractive Auto-encoder (SCAE) from…

Predicting bioactivity and physical properties of molecules is a longstanding challenge in drug design. Most approaches use molecular descriptors based on a 2D representation of molecules as a graph of atoms and bonds, abstracting away the…

Learning algorithms that aggregate predictions from an ensemble of diverse base classifiers consistently outperform individual methods. Many of these strategies have been developed in a supervised setting, where the accuracy of each base…

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…

One of the principal bottlenecks to atmosphere characterisation in the era of all-sky surveys is the availability of fast, autonomous and robust atmospheric retrieval methods. We present a new approach using unsupervised machine learning to…

Sparse autoencoders (SAEs) have emerged as a powerful tool for uncovering interpretable features in large language models (LLMs) through the sparse directions they learn. However, the sheer number of extracted directions makes comprehensive…

The rapid emergence of universal Machine Learning Interatomic Potentials (uMLIPs) has transformed materials modeling. However, a comprehensive understanding of their generalization behavior across configurational space remains an open…

This is a detailed tutorial paper which explains the Principal Component Analysis (PCA), Supervised PCA (SPCA), kernel PCA, and kernel SPCA. We start with projection, PCA with eigen-decomposition, PCA with one and multiple projection…

Principal Component Analysis (PCA) is one of the most important methods to handle high dimensional data. However, most of the studies on PCA aim to minimize the loss after projection, which usually measures the Euclidean distance, though in…

In the field of data mining, how to deal with high-dimensional data is an inevitable problem. Unsupervised feature selection has attracted more and more attention because it does not rely on labels. The performance of spectral-based…

The Segmentation Anything Model (SAM) requires labor-intensive data labeling. We present Unsupervised SAM (UnSAM) for promptable and automatic whole-image segmentation that does not require human annotations. UnSAM utilizes a…

The Canonical Correlation Analysis (CCA) family of methods is foundational in multiview learning. Regularised linear CCA methods can be seen to generalise Partial Least Squares (PLS) and be unified with a Generalized Eigenvalue Problem…

The unsupervised 3D object detection is to accurately detect objects in unstructured environments with no explicit supervisory signals. This task, given sparse LiDAR point clouds, often results in compromised performance for detecting…

Autoencoding is a popular method in representation learning. Conventional autoencoders employ symmetric encoding-decoding procedures and a simple Euclidean latent space to detect hidden low-dimensional structures in an unsupervised way.…

Disordered molecular systems such as amorphous catalysts, organic thin films, electrolyte solutions, and water are at the cutting edge of computational exploration today. Traditional simulations of such systems at length-scales relevant to…

Principal Component Analysis (PCA) is a ubiquitous tool with many applications in machine learning including feature construction, subspace embedding, and outlier detection. In this paper, we present an algorithm for computing the top…

In order to obtain morphological information of unlabeled galaxies, we present an unsupervised machine-learning (UML) method for morphological classification of galaxies, which can be summarized as two aspects: (1) the methodology of…

The past few years have seen the development of ``universal'' machine-learning interatomic potentials (uMLIPs) capable of approximating the ground-state potential energy surface across a wide range of chemical structures and compositions…

Contrastive learning, which aims to capture general representation from unlabeled images to initialize the medical analysis models, has been proven effective in alleviating the high demand for expensive annotations. Current methods mainly…