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We introduce a new generative model where samples are produced via Langevin dynamics using gradients of the data distribution estimated with score matching. Because gradients can be ill-defined and hard to estimate when the data resides on…

Machine Learning · Computer Science 2020-10-13 Yang Song , Stefano Ermon

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…

Machine Learning · Statistics 2021-02-09 Gregor N. C. Simm , José Miguel Hernández-Lobato

Neural networks (NNs) are inherently multidimensional classifiers that learn complex, non-linear relationships among input observables. While their flexibility enables unprecedented performance in high-energy physics (HEP) analyses, it also…

It can be difficult to tell whether a trained generative model has learned to generate novel examples or has simply memorized a specific set of outputs. In published work, it is common to attempt to address this visually, for example by…

Machine Learning · Computer Science 2017-05-29 Matt Feiszli

The manifold hypothesis, which assumes that data lies on or close to an unknown manifold of low intrinsic dimension, is a staple of modern machine learning research. However, recent work has shown that real-world data exhibits distinct…

Machine Learning · Computer Science 2023-06-16 Julius von Rohrscheidt , Bastian Rieck

Neural generative models can be used to learn complex probability distributions from data, to sample from them, and to produce probability density estimates. We propose a computational framework for developing neural generative models…

Machine Learning · Computer Science 2022-01-06 Alexander Ororbia , Daniel Kifer

Neural implicit representations have become a popular choice for modeling surfaces due to their adaptability in resolution and support for complex topology. While previous works have achieved impressive reconstruction quality by training on…

Computer Vision and Pattern Recognition · Computer Science 2024-08-12 Lu Sang , Abhishek Saroha , Maolin Gao , Daniel Cremers

Learning, taking into account full distribution of the data, referred to as generative, is not feasible with deep neural networks (DNNs) because they model only the conditional distribution of the outputs given the inputs. Current solutions…

Machine Learning · Computer Science 2017-09-26 Boris Flach , Alexander Shekhovtsov , Ondrej Fikar

Generative modeling, which learns joint probability distribution from data and generates samples according to it, is an important task in machine learning and artificial intelligence. Inspired by probabilistic interpretation of quantum…

Statistical Mechanics · Physics 2018-07-20 Zhao-Yu Han , Jun Wang , Heng Fan , Lei Wang , Pan Zhang

Recent advances in implicit neural representations show great promise when it comes to generating numerical solutions to partial differential equations. Compared to conventional alternatives, such representations employ parameterized neural…

Machine Learning · Computer Science 2021-11-29 Jonas Zehnder , Yue Li , Stelian Coros , Bernhard Thomaszewski

High-dimensional data are often assumed to lie on lower-dimensional manifolds. We study how to construct diffusion processes on this data manifold using only point cloud samples and without access to charts, projections, or other geometric…

Machine Learning · Computer Science 2026-05-21 Victor Kawasaki-Borruat , Clara Grotehans , Pierre Vandergheynst , Adam Gosztolai

Representing token embeddings as probability distributions over learned manifolds allows for more flexible contextual inference, reducing representational rigidity while enhancing semantic granularity. Comparative evaluations demonstrate…

Computation and Language · Computer Science 2025-04-25 Christopher Nightingale , Dominic Lavington , Jonathan Thistlethwaite , Sebastian Penhaligon , Thomas Belinski , David Boldo

This paper proposes a new methodology for performing Bayesian inference in imaging inverse problems where the prior knowledge is available in the form of training data. Following the manifold hypothesis and adopting a generative modelling…

Methodology · Statistics 2021-03-19 Matthew Holden , Marcelo Pereyra , Konstantinos C. Zygalakis

This paper presents our experiments to quantify the manifolds learned by ML models (in our experiment, we use a GAN model) as they train. We compare the manifolds learned at each epoch to the real manifolds representing the real data. To…

Machine Learning · Computer Science 2024-03-11 Anupam Chaudhuri , Anj Simmons , Mohamed Abdelrazek

Random graphs are increasingly becoming objects of interest for modeling networks in a wide range of applications. Latent position random graph models posit that each node is associated with a latent position vector, and that these vectors…

Machine Learning · Statistics 2024-05-08 Aranyak Acharyya , Joshua Agterberg , Michael W. Trosset , Youngser Park , Carey E. Priebe

Whereas diverse variations of diffusion models exist, extending the linear diffusion into a nonlinear diffusion process is investigated by very few works. The nonlinearity effect has been hardly understood, but intuitively, there would be…

Machine Learning · Computer Science 2022-10-14 Dongjun Kim , Byeonghu Na , Se Jung Kwon , Dongsoo Lee , Wanmo Kang , Il-Chul Moon

Many measurements or observations in computer vision and machine learning manifest as non-Euclidean data. While recent proposals (like spherical CNN) have extended a number of deep neural network architectures to manifold-valued data, and…

Computer Vision and Pattern Recognition · Computer Science 2021-03-02 Xingjian Zhen , Rudrasis Chakraborty , Liu Yang , Vikas Singh

Since its foundations, more than one hundred years ago, the field of structural biology has strived to understand and analyze the properties of molecules and their interactions by studying the structure that they take in 3D space. However,…

Biomolecules · Quantitative Biology 2023-02-27 Gabriele Corso

This work considers the problem of learning the structure of multivariate linear tree models, which include a variety of directed tree graphical models with continuous, discrete, and mixed latent variables such as linear-Gaussian models,…

Machine Learning · Computer Science 2011-11-09 Animashree Anandkumar , Kamalika Chaudhuri , Daniel Hsu , Sham M. Kakade , Le Song , Tong Zhang

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.…

Machine Learning · Computer Science 2024-10-07 Stefan C. Schonsheck , Scott Mahan , Timo Klock , Alexander Cloninger , Rongjie Lai