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This tutorial focuses on the fundamental architectures of Variational Autoencoders (VAE) and Generative Adversarial Networks (GAN), disregarding their numerous variations, to highlight their core principles. Both VAE and GAN utilize simple…

Machine Learning · Computer Science 2025-03-05 Yuan-Hao Wei

Neural architectures and hardware accelerators have been two driving forces for the progress in deep learning. Previous works typically attempt to optimize hardware given a fixed model architecture or model architecture given fixed…

Ensemble smoothers are among the most successful and efficient techniques currently available for history matching. However, because these methods rely on Gaussian assumptions, their performance is severely degraded when the prior geology…

Variational autoencoder (VAE) is one of the most common techniques in the field of medical image generation, where this architecture has shown advanced researchers in recent years and has developed into various architectures. VAE has…

Machine Learning · Computer Science 2024-11-13 Khadija Rais , Mohamed Amroune , Abdelmadjid Benmachiche , Mohamed Yassine Haouam

This work presents a scalable computational framework for optimal design under uncertainty with application to multi-material insulation components of building envelopes. The forward model consists of a multi-phase thermo-mechanical model…

Optimization and Control · Mathematics 2023-04-20 Jingye Tan , Danial Faghihi

We present a level-set based topology optimization algorithm for design optimization problems involving an arbitrary number of different materials, where the evolution of a design is solely guided by topological derivatives. Our method can…

Optimization and Control · Mathematics 2020-06-24 Peter Gangl

We introduce a novel variational autoencoder (VAE) architecture that can generate realistic and diverse high energy physics events. The model we propose utilizes several techniques from VAE literature in order to simulate high fidelity jet…

High Energy Physics - Phenomenology · Physics 2020-09-11 Kosei Dohi

Although freeform devices with complex internal structures promise drastic increases in performance, the discreteness of the set of available materials presents challenges for gradient-based optimization necessary for the efficient…

Optimization and Control · Mathematics 2025-11-10 Seokhwan Min , Junhyung Park , Jonghwa Shin

The field of optimal design of linear elastic structures has seen many exciting successes that resulted in new architected materials and structural designs. With the availability of cloud computing, including high-performance computing,…

Computational Engineering, Finance, and Science · Computer Science 2021-02-09 Diab W. Abueidda , Seid Koric , Nahil A. Sobh

A class of algorithms for the solution of discrete material optimization problems in electromagnetic applications is discussed. The idea behind the algorithm is similar to that of the sequential programming. However, in each major iteration…

Optimization and Control · Mathematics 2017-07-14 Johannes Semmler , Lukas Pflug , Michael Stingl

Deploying deep learning neural networks on edge devices, to accomplish task specific objectives in the real-world, requires a reduction in their memory footprint, power consumption, and latency. This can be realized via efficient model…

Machine Learning · Computer Science 2023-07-20 Carl Shneider , Peyman Rostami , Anis Kacem , Nilotpal Sinha , Abd El Rahman Shabayek , Djamila Aouada

Here we propose the Reweighted Autoencoded Variational Bayes for Enhanced Sampling (RAVE) method, a new iterative scheme that uses the deep learning framework of variational autoencoders to enhance sampling in molecular simulations. RAVE…

Chemical Physics · Physics 2018-02-13 Joao Marcelo Lamim Ribeiro , Pablo Bravo Collado , Yihang Wang , Pratyush Tiwary

Variational autoencoder (VAE) has widely been utilized for modeling data distributions because it is theoretically elegant, easy to train, and has nice manifold representations. However, when applied to image reconstruction and synthesis…

Computer Vision and Pattern Recognition · Computer Science 2022-07-12 Dooseop Choi , KyoungWook Min

Extracting insight from the enormous quantity of data generated from molecular simulations requires the identification of a small number of collective variables whose corresponding low-dimensional free-energy landscape retains the essential…

Chemical Physics · Physics 2019-12-30 Yasemin Bozkurt Varolgunes , Tristan Bereau , Joseph F. Rudzinski

Variational Autoencoders are one of the most commonly used generative models, particularly for image data. A prominent difficulty in training VAEs is data that is supported on a lower-dimensional manifold. Recent work by Dai and Wipf (2020)…

Machine Learning · Computer Science 2022-05-19 Frederic Koehler , Viraj Mehta , Chenghui Zhou , Andrej Risteski

We propose a novel algorithm for combined unit and layer pruning of deep neural networks that functions during training and without requiring a pre-trained network to apply. Our algorithm optimally trades-off learning accuracy and pruning…

Machine Learning · Computer Science 2025-07-17 Valentin Frank Ingmar Guenter , Athanasios Sideris

We investigate the construction of generative models capable of encoding physical constraints that can be hard to express explicitly. For the problem of inverse material design, where one seeks to design a material with a prescribed set of…

Materials Science · Physics 2024-01-17 Khalid El-Awady

We introduce a Deep Kernel Learning Variational Autoencoder (VAE-DKL) framework that integrates the generative power of a Variational Autoencoder (VAE) with the predictive nature of Deep Kernel Learning (DKL). The VAE learns a latent…

Machine Learning · Computer Science 2025-03-06 Boris N. Slautin , Utkarsh Pratiush , Doru C. Lupascu , Maxim A. Ziatdinov , Sergei V. Kalinin

Variational Autoencoders (VAEs) provide a theoretically-backed and popular framework for deep generative models. However, learning a VAE from data poses still unanswered theoretical questions and considerable practical challenges. In this…

Machine Learning · Computer Science 2020-06-01 Partha Ghosh , Mehdi S. M. Sajjadi , Antonio Vergari , Michael Black , Bernhard Schölkopf

Autoencoders have found widespread application in both their original deterministic form and in their variational formulation (VAEs). In scientific applications and in image processing it is often of interest to consider data that are…

Machine Learning · Statistics 2025-09-09 Justin Bunker , Mark Girolami , Hefin Lambley , Andrew M. Stuart , T. J. Sullivan
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