Nonlinear dimensional reduction with the manifold assumption, often called manifold learning, has proven its usefulness in a wide range of high-dimensional data analysis. The significant impact of t-SNE and UMAP has catalyzed intense research interest, seeking further innovations toward visualizing not only the local but also the global structure information of the data. Moreover, there have been consistent efforts toward generalizable dimensional reduction that handles unseen data. In this paper, we first propose GLoMAP, a novel manifold learning method for dimensional reduction and high-dimensional data visualization. GLoMAP preserves locally and globally meaningful distance estimates and displays a progression from global to local formation during the course of optimization. Furthermore, we extend GLoMAP to its inductive version, iGLoMAP, which utilizes a deep neural network to map data to its lower-dimensional representation. This allows iGLoMAP to provide lower-dimensional embeddings for unseen points without needing to re-train the algorithm. iGLoMAP is also well-suited for mini-batch learning, enabling large-scale, accelerated gradient calculations. We have successfully applied both GLoMAP and iGLoMAP to the simulated and real-data settings, with competitive experiments against the state-of-the-art methods.
Peking University（北京大学）；University of Illinois at Chicago（伊利诺伊大学芝加哥分校）；Tsinghua University（清华大学）
Graph representation learning aims at transforming graph data into meaningful low-dimensional vectors to facilitate the employment of machine learning and data mining algorithms designed for general data. Most current graph representation learning approaches are transductive, which means that they require all the nodes in the graph are known when learning graph representations and these approaches cannot naturally generalize to unseen nodes. In this paper, we present a Fast Inductive Graph Representation Learning framework (FI-GRL) to learn nodes' low-dimensional representations. Our approach …
Department of Computer Science and Technology（计算机科学与技术系）；University of Cambridge（剑桥大学）
While modern deep neural architectures generalise well when test data is sampled from the same distribution as training data, they fail badly for cases when the test data distribution differs from the training distribution even along a few dimensions. This lack of out-of-distribution generalisation is increasingly manifested when the tasks become more abstract and complex, such as in relational reasoning. In this paper we propose a neuroscience-inspired inductive-biased module that can be readily amalgamated with current neural network architectures to improve out-of-distribution (o.o.d) gener…
Inner Mongolia University（内蒙古大学）；Hainan University（海南大学）；Zhijiang College, Zhejiang University of Technology（浙江工业大学之江学院）；China Agriculture University（中国农业大学）
Cross-manifold clustering is a hard topic and many traditional clustering methods fail because of the cross-manifold structures. In this paper, we propose a Multiple Flat Projections Clustering (MFPC) to deal with cross-manifold clustering problems. In our MFPC, the given samples are projected into multiple subspaces to discover the global structures of the implicit manifolds. Thus, the cross-manifold clusters are distinguished from the various projections. Further, our MFPC is extended to nonlinear manifold clustering via kernel tricks to deal with more complex cross-manifold clustering. A se…
Tutte Institute for Mathematics and Computing（塔特数学与计算研究所）
UMAP (Uniform Manifold Approximation and Projection) is a novel manifold learning technique for dimension reduction. UMAP is constructed from a theoretical framework based in Riemannian geometry and algebraic topology. The result is a practical scalable algorithm that applies to real world data. The UMAP algorithm is competitive with t-SNE for visualization quality, and arguably preserves more of the global structure with superior run time performance. Furthermore, UMAP has no computational restrictions on embedding dimension, making it viable as a general purpose dimension reduction technique…
Weifang University（潍坊学院）；The University of Hong Kong（香港大学）；Southwestern University of Finance and Economics（西南财经大学）
In this paper, we develop a new alternating projection method to compute nonnegative low rank matrix approximation for nonnegative matrices. In the nonnegative low rank matrix approximation method, the projection onto the manifold of fixed rank matrices can be expensive as the singular value decomposition is required. We propose to use the tangent space of the point in the manifold to approximate the projection onto the manifold in order to reduce the computational cost. We show that the sequence generated by the alternating projections onto the tangent spaces of the fixed rank matrices manifo…
Department of Biomedical Informatics and Data Science, Yale School of Medicine（耶鲁医学院生物医学信息学与数据科学部）；School of Information, University of Michigan（密歇根大学信息学院）
We study stochastic projection-free methods for constrained optimization of smooth functions on Riemannian manifolds, i.e., with additional constraints beyond the parameter domain being a manifold. Specifically, we introduce stochastic Riemannian Frank-Wolfe methods for nonconvex and geodesically convex problems. We present algorithms for both purely stochastic optimization and finite-sum problems. For the latter, we develop variance-reduced methods, including a Riemannian adaptation of the recently proposed Spider technique. For all settings, we recover convergence rates that are comparable t…
Uniform Manifold Approximation and Projection (UMAP) is one of the state-of-the-art methods for dimensionality reduction and data visualization. This is a tutorial and survey paper on UMAP and its variants. We start with UMAP algorithm where we explain probabilities of neighborhood in the input and embedding spaces, optimization of cost function, training algorithm, derivation of gradients, and supervised and semi-supervised embedding by UMAP. Then, we introduce the theory behind UMAP by algebraic topology and category theory. Then, we introduce UMAP as a neighbor embedding method and compare …
In order to avoid the curse of dimensionality, frequently encountered in Big Data analysis, there was a vast development in the field of linear and nonlinear dimension reduction techniques in recent years. These techniques (sometimes referred to as manifold learning) assume that the scattered input data is lying on a lower dimensional manifold, thus the high dimensionality problem can be overcome by learning the lower dimensionality behavior. However, in real life applications, data is often very noisy. In this work, we propose a method to approximate $\mathcal{M}$ a $d$-dimensional $C^{m+1}$ …
Sapienza, University of Rome（罗马大学）；Università della Svizzera italiana（瑞士意大利语区大学）
We propose a novel approach to disentangle the generative factors of variation underlying a given set of observations. Our method builds upon the idea that the (unknown) low-dimensional manifold underlying the data space can be explicitly modeled as a product of submanifolds. This definition of disentanglement gives rise to a novel weakly-supervised algorithm for recovering the unknown explanatory factors behind the data. At training time, our algorithm only requires pairs of non i.i.d. data samples whose elements share at least one, possibly multidimensional, generative factor of variation. W…
University of Stuttgart（斯图加特大学）；IIE, Chinese Academy of Sciences（中国科学院信息工程研究所）；Imperial College London（帝国理工学院）；Griffith University（格里菲斯大学）；AMSS, Chinese Academy of Sciences（中国科学院数学与系统科学研究院）；University of Southampton（南安普顿大学）
Graph convolutional networks (GCNs) are powerful frameworks for learning embeddings of graph-structured data. GCNs are traditionally studied through the lens of Euclidean geometry. Recent works find that non-Euclidean Riemannian manifolds provide specific inductive biases for embedding hierarchical or spherical data. However, they cannot align well with data of mixed graph topologies. We consider a larger class of pseudo-Riemannian manifolds that generalize hyperboloid and sphere. We develop new geodesic tools that allow for extending neural network operations into geodesically disconnected ps…
Lawrence Livermore National Laboratory（劳伦斯利弗莫尔国家实验室）
In the past few years, Generative Adversarial Networks (GANs) have dramatically advanced our ability to represent and parameterize high-dimensional, non-linear image manifolds. As a result, they have been widely adopted across a variety of applications, ranging from challenging inverse problems like image completion, to problems such as anomaly detection and adversarial defense. A recurring theme in many of these applications is the notion of projecting an image observation onto the manifold that is inferred by the generator. In this context, Projected Gradient Descent (PGD) has been the most …
Cluster Exploration using Informative Manifold Projections
Department of Computer Science, University of Liverpool, Liverpool, UK（利物浦大学计算机科学系）；Department of Chemistry, University of Liverpool, Liverpool, UK（利物浦大学化学系）；Leverhulme Research Centre for Functional Materials Design, University of Liverpool, Liverpool, UK（利物浦大学功能性材料设计勒弗赫姆研究中心）
Federated Learning on Riemannian Manifolds: A Gradient-Free Projection-Based Approach
School of Information Management and Engineering, Shanghai University of Finance and Economics（上海金融学院信息管理与工程学院）；School of Information Management and Engineering, Shanghai University of Finance and Economics（上海金融学院信息管理与工程学院；明尼苏达大学工业与系统工程系）；Department of Industrial and System Engineering, University of Minnesota（明尼苏达大学电气与计算机工程系）；Department of Electrical and Computer Engineering, University of Minnesota
Random projections are able to perform dimension reduction efficiently for datasets with nonlinear low-dimensional structures. One well-known example is that random matrices embed sparse vectors into a low-dimensional subspace nearly isometrically, known as the restricted isometric property in compressed sensing. In this paper, we explore some applications of random projections in deep neural networks. We provide the expressive power of fully connected neural networks when the input data are sparse vectors or form a low-dimensional smooth manifold. We prove that the number of neurons required …
We analyze 14,651 HIV1 reverse transcriptase (HIV RT) sequences from the Stanford HIV Drug Resistance Database labeled with treatment regimen in order to study the evolution this enzyme under drug selection in the clinic. Our goal is to identify distinct sectors of HIV RT's sequence space that are undergoing evolution as a way to identify individual selections and/or evolutionary solutions. We utilize Uniform Manifold Approximation and Projection (UMAP), a graph-based dimensionality reduction technique uniquely suited for the detection of non-linear dependencies and visualize the results using…
Chalmers University of Technology（查尔姆斯理工大学）；ENS（巴黎高等师范学院）；CNRS（法国国家科学研究中心）；PSL University（巴黎文理研究大学）；Inria（法国国家信息与自动化研究所）；National University of Singapore（新加坡国立大学）
We propose a generic, Bayesian, information geometric approach to the exploration--exploitation trade-off in multi-armed bandit problems. Our approach, BelMan, uniformly supports pure exploration, exploration--exploitation, and two-phase bandit problems. The knowledge on bandit arms and their reward distributions is summarised by the barycentre of the joint distributions of beliefs and rewards of the arms, the \emph{pseudobelief-reward}, within the beliefs-rewards manifold. BelMan alternates \emph{information projection} and \emph{reverse information projection}, i.e., projection of the pseudo…
HUMAP: Hierarchical Uniform Manifold Approximation and Projection
São Paulo State University (UNESP) and Nomic AI（圣保罗州立大学（UNESP）和Nomic AI）；São Paulo State University (UNESP)（圣保罗州立大学（UNESP））；Eindhoven University of Technology（埃因霍温理工大学）；Linnaeus University（林纳大学）
Accelerating Birkhoff Projection for Manifold-Constrained Hyper-Connections
School of Statistics（统计学系）；Renmin University of China（中国人民大学）；School of Statistics and Data Science（统计学与数据科学学院）；Institute of Big Data Research（大数据研究院）；Shanghai University of Finance and Economics（上海财经大学）
Swiss Federal Institute of Technology (ETH) Zürich（苏黎世联邦理工学院）；Johns Hopkins University（约翰斯·霍普金斯大学）；Johns Hopkins School of Medicine（约翰斯·霍普金斯大学医学院）；University of Maryland School of Medicine（马里兰大学医学院）
The thalamus is a subcortical gray matter structure that plays a key role in relaying sensory and motor signals within the brain. Its nuclei can atrophy or otherwise be affected by neurological disease and injuries including mild traumatic brain injury. Segmenting both the thalamus and its nuclei is challenging because of the relatively low contrast within and around the thalamus in conventional magnetic resonance (MR) images. This paper explores imaging features to determine key tissue signatures that naturally cluster, from which we can parcellate thalamic nuclei. Tissue contrasts include T1…
The impact of convolution neural networks (CNNs) in the supervised settings provided tremendous increment in performance. The representations learned from CNN's operated on hyperspherical manifold led to insightful outcomes in face recognition, face identification, and other supervised tasks. A broad range of activation functions were developed with hypersphere intuition which performs superior to softmax in euclidean space. The main motive of this research is to provide insights. First, the stereographic projection is implied to transform data from Euclidean space ($\mathbb{R}^{n}$) to hypers…
