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Diffusion models have become a leading framework in generative modeling, yet their theoretical understanding -- especially for high-dimensional data concentrated on low-dimensional structures -- remains incomplete. This paper investigates…

Machine Learning · Computer Science 2026-04-29 Zixuan Zhang , Kaixuan Huang , Tuo Zhao , Mengdi Wang , Minshuo Chen

We use a Convolutional Recurrent Neural Network approach to learn morphological evolution driven by surface diffusion. To this aim we first produce a training set using phase field simulations. Intentionally, we insert in such a set only…

Computational Physics · Physics 2024-05-07 Daniele Lanzoni , Marco Albani , Roberto Bergamaschini , Francesco Montalenti

We generalize the Hamiltonian Monte Carlo algorithm with a stack of neural network layers and evaluate its ability to sample from different topologies in a two dimensional lattice gauge theory. We demonstrate that our model is able to…

High Energy Physics - Lattice · Physics 2021-05-10 Sam Foreman , Xiao-Yong Jin , James C. Osborn

Diffusion models have emerged from various theoretical and methodological perspectives, each offering unique insights into their underlying principles. In this work, we provide an overview of the most prominent approaches, drawing attention…

Machine Learning · Computer Science 2024-09-04 Solveig Klepper

Manifold learning is a central task in modern statistics and data science. Many datasets (cells, documents, images, molecules) can be represented as point clouds embedded in a high dimensional ambient space, however the degrees of freedom…

Machine Learning · Statistics 2025-02-18 Stephen Zhang , Gilles Mordant , Tetsuya Matsumoto , Geoffrey Schiebinger

In this paper, we extend the diffusion maps algorithm on a family of heat kernels that are either local (having exponential decay) or nonlocal (having polynomial decay), arising in various applications. For example, these kernels have been…

Classical Analysis and ODEs · Mathematics 2020-07-28 Harbir Antil , Tyrus Berry , John Harlim

Unsupervised dimensionality reduction is one of the commonly used techniques in the field of high dimensional data recognition problems. The deep autoencoder network which constrains the weights to be non-negative, can learn a low…

Computer Vision and Pattern Recognition · Computer Science 2020-09-18 Anyong Qin , Zhaowei Shang , Zhuolin Tan , Taiping Zhang , Yuan Yan Tang

We perform topological data analysis on the internal states of convolutional deep neural networks to develop an understanding of the computations that they perform. We apply this understanding to modify the computations so as to (a) speed…

Machine Learning · Computer Science 2018-11-06 Gunnar Carlsson , Rickard Brüel Gabrielsson

The absence of intrinsic adjacency relations and orientation systems in hypergraphs creates fundamental challenges for constructing sheaf Laplacians of arbitrary degrees. We resolve these limitations through symmetric simplicial sets…

Machine Learning · Computer Science 2025-08-01 Seongjin Choi , Gahee Kim , Yong-Geun Oh

Optimizing complex systems, from discovering therapeutic drugs to designing high-performance materials, remains a fundamental challenge across science and engineering, as the underlying rules are often unknown and costly to evaluate.…

Machine Learning · Computer Science 2026-01-13 Tailin Zhou , Zhilin Chen , Wenlong Lyu , Zhitang Chen , Danny H. K. Tsang , Jun Zhang

We introduce a neural implicit framework that exploits the differentiable properties of neural networks and the discrete geometry of point-sampled surfaces to approximate them as the level sets of neural implicit functions. To train a…

Graphics · Computer Science 2024-03-07 Tiago Novello , Guilherme Schardong , Luiz Schirmer , Vinicius da Silva , Helio Lopes , Luiz Velho

Denoising Diffusion Probabilistic Models (DDPM) are powerful state-of-the-art methods used to generate synthetic data from high-dimensional data distributions and are widely used for image, audio, and video generation as well as many more…

Machine Learning · Statistics 2025-04-25 Iskander Azangulov , George Deligiannidis , Judith Rousseau

This paper presents a principled approach for detecting out-of-distribution (OOD) samples in deep neural networks (DNN). Modeling probability distributions on deep features has recently emerged as an effective, yet computationally cheap…

Machine Learning · Computer Science 2020-12-09 Ibrahima Ndiour , Nilesh Ahuja , Omesh Tickoo

Diffusion models are recent state-of-the-art methods for image generation and likelihood estimation. In this work, we generalize continuous-time diffusion models to arbitrary Riemannian manifolds and derive a variational framework for…

Machine Learning · Computer Science 2022-08-18 Chin-Wei Huang , Milad Aghajohari , Avishek Joey Bose , Prakash Panangaden , Aaron Courville

The graph Laplacian plays key roles in information processing of relational data, and has analogies with the Laplacian in differential geometry. In this paper, we generalize the analogy between graph Laplacian and differential geometry to…

Machine Learning · Statistics 2022-08-17 Shota Saito , Danilo P Mandic , Hideyuki Suzuki

Capturing the global topology of an image is essential for proposing an accurate segmentation of its domain. However, most of existing segmentation methods do not preserve the initial topology of the given input, which is detrimental for…

Computer Vision and Pattern Recognition · Computer Science 2022-08-19 Minh On Vu Ngoc , Yizi Chen , Nicolas Boutry , Jonathan Fabrizio , Clement Mallet

Manifold learning builds on the "manifold hypothesis," which posits that data in high-dimensional datasets are drawn from lower-dimensional manifolds. Current tools generate global embeddings of data, rather than the local maps used to…

Machine Learning · Computer Science 2025-08-28 Serena Hughes , Timothy Hamilton , Tom Kolokotrones , Eric J. Deeds

Motivated by multi-topology building and city model data, first a lossless representation of multiple $T_0$-topologies on a given finite set by a vertex-edge-weighted graph is given, and the subdominant ultrametric of the associated…

Discrete Mathematics · Computer Science 2024-11-05 Patrick Erik Bradley , Angel Alfredo Moran Ledezma

We develop a novel framework for modeling diffusion on complex networks by constructing Laplacian-like operators based on walks around a graph. Our approach introduces a parametric family of walk-based Laplacians that naturally incorporate…

Social and Information Networks · Computer Science 2026-01-19 Francesca Arrigo , Fabio Durastante

Manifold learning approaches seek the intrinsic, low-dimensional data structure within a high-dimensional space. Mainstream manifold learning algorithms, such as Isomap, UMAP, $t$-SNE, Diffusion Map, and Laplacian Eigenmaps do not use data…

Machine Learning · Statistics 2023-07-04 Jake S. Rhodes