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We propose to learn energy-based model (EBM) in the latent space of a generator model, so that the EBM serves as a prior model that stands on the top-down network of the generator model. Both the latent space EBM and the top-down network…

Machine Learning · Statistics 2020-10-30 Bo Pang , Tian Han , Erik Nijkamp , Song-Chun Zhu , Ying Nian Wu

This paper presents a simulator-assisted training method (SimVAE) for variational autoencoders (VAE) that leads to a disentangled and interpretable latent space. Training SimVAE is a two-step process in which first a deep generator…

Machine Learning · Statistics 2019-11-20 Akash Srivastava , Jessie Rosenberg , Dan Gutfreund , David D. Cox

In this paper, we describe the "implicit autoencoder" (IAE), a generative autoencoder in which both the generative path and the recognition path are parametrized by implicit distributions. We use two generative adversarial networks to…

Machine Learning · Computer Science 2019-02-08 Alireza Makhzani

Variational Auto-encoders (VAEs) are deep generative latent variable models consisting of two components: a generative model that captures a data distribution p(x) by transforming a distribution p(z) over latent space, and an inference…

Machine Learning · Computer Science 2022-08-25 Yaniv Yacoby , Weiwei Pan , Finale Doshi-Velez

Diffusion probabilistic models (DPMs) have shown remarkable results on various image synthesis tasks such as text-to-image generation and image inpainting. However, compared to other generative methods like VAEs and GANs, DPMs lack a…

Computer Vision and Pattern Recognition · Computer Science 2023-07-13 Yipeng Leng , Qiangjuan Huang , Zhiyuan Wang , Yangyang Liu , Haoyu Zhang

As deep Variational Auto-Encoder (VAE) frameworks become more widely used for modeling biomolecular simulation data, we emphasize the capability of the VAE architecture to concurrently maximize the timescale of the latent space while…

Chemical Physics · Physics 2021-12-08 Hannah K. Wayment-Steele , Vijay S. Pande

Diffusion-based representation learning has achieved substantial attention due to its promising capabilities in latent representation and sample generation. Recent studies have employed an auxiliary encoder to identify a corresponding…

Machine Learning · Computer Science 2025-03-11 Yeongmin Kim , Kwanghyeon Lee , Minsang Park , Byeonghu Na , Il-Chul Moon

Developing effective representations of protein structures is essential for advancing protein science, particularly for protein generative modeling. Current approaches often grapple with the complexities of the SE(3) manifold, rely on…

Machine Learning · Computer Science 2025-10-14 Shaoning Li , Le Zhuo , Yusong Wang , Mingyu Li , Xinheng He , Fandi Wu , Hongsheng Li , Pheng-Ann Heng

In this paper, we propose the "adversarial autoencoder" (AAE), which is a probabilistic autoencoder that uses the recently proposed generative adversarial networks (GAN) to perform variational inference by matching the aggregated posterior…

Machine Learning · Computer Science 2016-05-26 Alireza Makhzani , Jonathon Shlens , Navdeep Jaitly , Ian Goodfellow , Brendan Frey

Modeling the time-dependent evolution of electron density is essential for understanding quantum mechanical behaviors of condensed matter and enabling predictive simulations in spectroscopy, photochemistry, and ultrafast science. Yet, while…

Computational Physics · Physics 2025-09-03 Yuan Chiang , Youngsoo Choi , Daniel Osei-Kuffuor

Bayesian optimisation in the latent space of a Variational AutoEncoder (VAE) is a powerful framework for optimisation tasks over complex structured domains, such as the space of scientifically interesting molecules. However, existing…

Machine Learning · Computer Science 2025-07-08 Henry B. Moss , Sebastian W. Ober , Tom Diethe

The ability to generate physically plausible ensembles of variable sources is critical to the optimization of time-domain survey cadences and the training of classification models on datasets with few to no labels. Traditional data…

Instrumentation and Methods for Astrophysics · Physics 2020-05-19 Jorge Martínez-Palomera , Joshua S. Bloom , Ellianna S. Abrahams

In this paper we study generative modeling via autoencoders while using the elegant geometric properties of the optimal transport (OT) problem and the Wasserstein distances. We introduce Sliced-Wasserstein Autoencoders (SWAE), which are…

Machine Learning · Computer Science 2018-06-28 Soheil Kolouri , Phillip E. Pope , Charles E. Martin , Gustavo K. Rohde

Data encoding is a common and central operation in most data analysis tasks. The performance of other models downstream in the computational process highly depends on the quality of data encoding. One of the most powerful ways to encode…

Machine Learning · Computer Science 2025-09-03 Teddy Lazebnik , Liron Simon-Keren

A disentangled representation of a data set should be capable of recovering the underlying factors that generated it. One question that arises is whether using Euclidean space for latent variable models can produce a disentangled…

Machine Learning · Computer Science 2020-03-23 Luis A. Pérez Rey

Variational auto-encoders (VAEs) have proven to be a well suited tool for performing dimensionality reduction by extracting latent variables lying in a potentially much smaller dimensional space than the data. Their ability to capture…

Machine Learning · Statistics 2020-10-23 Clément Chadebec , Clément Mantoux , Stéphanie Allassonnière

Diffusion models have attained impressive visual quality for image synthesis. However, how to interpret and manipulate the latent space of diffusion models has not been extensively explored. Prior work diffusion autoencoders encode the…

Computer Vision and Pattern Recognition · Computer Science 2023-04-26 Zeyu Lu , Chengyue Wu , Xinyuan Chen , Yaohui Wang , Lei Bai , Yu Qiao , Xihui Liu

Physics-integrated generative modeling is a class of hybrid or grey-box modeling in which we augment the the data-driven model with the physics knowledge governing the data distribution. The use of physics knowledge allows the generative…

Machine Learning · Computer Science 2024-04-19 Sheikh Waqas Akhtar

We propose an algorithm, guided variational autoencoder (Guided-VAE), that is able to learn a controllable generative model by performing latent representation disentanglement learning. The learning objective is achieved by providing…

Computer Vision and Pattern Recognition · Computer Science 2020-04-06 Zheng Ding , Yifan Xu , Weijian Xu , Gaurav Parmar , Yang Yang , Max Welling , Zhuowen Tu

The prospect of quantum computing with a potential exponential speed-up compared to classical computing identifies it as a promising method in the search for alternative future High Energy Physics (HEP) simulation approaches. HEP…

Quantum Physics · Physics 2024-04-30 Florian Rehm , Sofia Vallecorsa , Michele Grossi , Kerstin Borras , Dirk Krücker