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We explore whether useful temporal neural generative models can be learned from sequential data without back-propagation through time. We investigate the viability of a more neurocognitively-grounded approach in the context of unsupervised…

Machine Learning · Computer Science 2017-12-01 Alexander G. Ororbia , Patrick Haffner , David Reitter , C. Lee Giles

Denoising diffusion models have gained popularity as a generative modeling technique for producing high-quality and diverse images. Applying these models to downstream tasks requires conditioning, which can take the form of text, class…

Computer Vision and Pattern Recognition · Computer Science 2023-06-06 Alexandros Graikos , Srikar Yellapragada , Dimitris Samaras

Accurate characterization of the equilibrium distributions of complex molecular systems and their dependence on environmental factors such as temperature is essential for understanding thermodynamic properties and transition mechanisms.…

Machine Learning · Computer Science 2025-07-08 Yunrui Qiu , Richard John , Lukas Herron , Pratyush Tiwary

We develop a method to learn physical systems from data that employs feedforward neural networks and whose predictions comply with the first and second principles of thermodynamics. The method employs a minimum amount of data by enforcing…

Machine Learning · Computer Science 2020-11-16 Quercus Hernández , Alberto Badias , David Gonzalez , Francisco Chinesta , Elias Cueto

Denoising diffusion models trained at web-scale have revolutionized image generation. The application of these tools to engineering design is an intriguing possibility, but is currently limited by their inability to parse and enforce…

Machine Learning · Computer Science 2023-06-19 Nikos Arechiga , Frank Permenter , Binyang Song , Chenyang Yuan

Diffusion models that are based on iterative denoising have been recently proposed and leveraged in various generation tasks like image generation. Whereas, as a way inherently built for continuous data, existing diffusion models still have…

Computation and Language · Computer Science 2023-04-11 Jiaao Chen , Aston Zhang , Mu Li , Alex Smola , Diyi Yang

A thermodynamically motivated neural network model is described that self-organizes to transport charge associated with internal and external potentials while in contact with a thermal reservoir. The model integrates techniques for rapid,…

Neurons and Cognition · Quantitative Biology 2020-04-22 Todd Hylton

A model has two main aims: predicting the behavior of a physical system and understanding its nature, that is how it works, at some desired level of abstraction. A promising recent approach to model building consists in deriving a…

Statistical Mechanics · Physics 2019-02-26 Marco Baldovin , Andrea Puglisi , Angelo Vulpiani

Generative models based on denoising diffusion techniques have led to an unprecedented increase in the quality and diversity of imagery that is now possible to create with neural generative models. However, most contemporary…

Machine Learning · Computer Science 2022-11-24 Vikram Voleti , Christopher Pal , Adam Oberman

Despite their fundamental role, it remains unclear what properties could make tokenizers more effective for generative modeling. We observe that modern generative models share a conceptually similar training objective -- reconstructing…

Computer Vision and Pattern Recognition · Computer Science 2026-02-17 Jiawei Yang , Tianhong Li , Lijie Fan , Yonglong Tian , Yue Wang

Machine-learned coarse-grained (MLCG) molecular dynamics is a promising option for modeling biomolecules. However, MLCG models currently require large amounts of data from reference atomistic molecular dynamics or substantial computation…

Biological Physics · Physics 2024-07-02 Aleksander E. P. Durumeric , Yaoyi Chen , Frank Noé , Cecilia Clementi

This paper is concerned with the development, analysis and numerical realization of a novel variational model for the regularization of inverse problems in imaging. The proposed model is inspired by the architecture of generative…

Optimization and Control · Mathematics 2021-11-10 Andreas Habring , Martin Holler

Diffusion models (DMs) have achieved state-of-the-art results for image synthesis tasks as well as density estimation. Applied in the latent space of a powerful pretrained autoencoder (LDM), their immense computational requirements can be…

Computer Vision and Pattern Recognition · Computer Science 2022-10-21 Jeremias Traub

This paper introduces a deep learning enabled generative sensing framework which integrates low-end sensors with computational intelligence to attain a high recognition accuracy on par with that attained with high-end sensors. The proposed…

Computer Vision and Pattern Recognition · Computer Science 2018-01-10 Lina Karam , Tejas Borkar , Yu Cao , Junseok Chae

Generative models such as Generative Adversarial Networks (GANs) and Variational Auto-Encoders (VAEs) are widely utilized to model the generative process of user interactions. However, these generative models suffer from intrinsic…

Information Retrieval · Computer Science 2025-06-26 Wenjie Wang , Yiyan Xu , Fuli Feng , Xinyu Lin , Xiangnan He , Tat-Seng Chua

Using statistical physics methods, we study generative diffusion models in the regime where the dimension of space and the number of data are large, and the score function has been trained optimally. Our analysis reveals three distinct…

Machine Learning · Computer Science 2025-01-08 Giulio Biroli , Tony Bonnaire , Valentin de Bortoli , Marc Mézard

Diffusion models are loosely modelled based on non-equilibrium thermodynamics, where \textit{diffusion} refers to particles flowing from high-concentration regions towards low-concentration regions. In statistics, the meaning is quite…

Machine Learning · Computer Science 2023-12-19 Inga Strümke , Helge Langseth

Generative models have emerged as powerful priors for solving inverse problems. These models typically represent a class of natural signals using a single fixed complexity or dimensionality. This can be limiting: depending on the problem, a…

Machine Learning · Computer Science 2026-03-11 Sean Gunn , Jorio Cocola , Oliver De Candido , Vaggos Chatziafratis , Paul Hand

Designing composite materials as per the application requirements is fundamentally a challenging and time consuming task. Here we report the development of a deep neural network based computational framework capable of solving the forward…

Materials Science · Physics 2022-09-14 Ashank , Soumen Chakravarty , Pranshu Garg , Ankit Kumar , Manish Agrawal , Prabhat K. Agnihotri

Score-based generative models and diffusion probabilistic models have been successful at generating high-quality samples in continuous domains such as images and audio. However, due to their Langevin-inspired sampling mechanisms, their…

Sound · Computer Science 2021-11-29 Gautam Mittal , Jesse Engel , Curtis Hawthorne , Ian Simon