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The manifold assumption for high-dimensional data assumes that the data is generated by varying a set of parameters obtained from a low-dimensional latent space. Deep generative models (DGMs) are widely used to learn data representations in…

Machine Learning · Computer Science 2022-07-19 Krithika Iyer , Riddhish Bhalodia , Shireen Elhabian

Network alignment is the task of establishing one-to-one correspondences between the nodes of different graphs. Although finding a plethora of applications in high-impact domains, this task is known to be NP-hard in its general form.…

Machine Learning · Computer Science 2024-11-20 Jiashu He , Charilaos I. Kanatsoulis , Alejandro Ribeiro

Graph Neural Networks (GNNs) have become a powerful tool for modeling and analyzing data with graph structures. The wide adoption in numerous applications underscores the value of these models. However, the complexity of these methods often…

Artificial Intelligence · Computer Science 2025-12-10 Tien Cuong Bui

Single-cell perturbation prediction aims to infer how cells respond to unseen interventions and to achieve out-of-distribution (OOD) generalization, providing a computational route to understanding how perturbations reshape cellular…

Machine Learning · Computer Science 2026-05-26 Wenkang Jiang , Yuhang Liu , Erdun Gao , Ehsan Abbasnejad , Lina Yao , Javen Qinfeng Shi

Latent generative models have emerged as a leading approach for high-quality image synthesis. These models rely on an autoencoder to compress images into a latent space, followed by a generative model to learn the latent distribution. We…

Machine Learning · Computer Science 2025-08-05 Theodoros Kouzelis , Ioannis Kakogeorgiou , Spyros Gidaris , Nikos Komodakis

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 the present work, a generative deep learning framework combining a Co-optimized Variational Autoencoder (Co-VAE) architecture with quantitative structure-property relationship (QSPR) techniques is developed to enable accelerated inverse…

Machine Learning · Computer Science 2025-10-15 Kiran K. Yalamanchi , Pinaki Pal , Balaji Mohan , Abdullah S. AlRamadan , Jihad A. Badra , Yuanjiang Pei

The variational autoencoder (VAE) is a generative model with continuous latent variables where a pair of probabilistic encoder (bottom-up) and decoder (top-down) is jointly learned by stochastic gradient variational Bayes. We first…

Machine Learning · Statistics 2016-04-19 Suwon Suh , Seungjin Choi

Graph Neural Networks (GNNs) have advanced significantly in handling graph-structured data, but a comprehensive framework for evaluating explainability remains lacking. Existing evaluation frameworks primarily involve post-hoc explanations,…

Machine Learning · Computer Science 2026-05-18 Magdalena Proszewska , N. Siddharth

Variational autoencoders (VAEs) are one class of generative probabilistic latent-variable models designed for inference based on known data. We develop three variations on VAEs by introducing a second parameterized encoder/decoder pair and,…

Machine Learning · Computer Science 2023-04-06 R. I. Cukier

The variational autoencoder (VAE; Kingma, Welling (2014)) is a recently proposed generative model pairing a top-down generative network with a bottom-up recognition network which approximates posterior inference. It typically makes strong…

Machine Learning · Computer Science 2016-11-08 Yuri Burda , Roger Grosse , Ruslan Salakhutdinov

The Variational Autoencoder (VAE) is a powerful deep generative model that is now extensively used to represent high-dimensional complex data via a low-dimensional latent space learned in an unsupervised manner. In the original VAE model,…

Sound · Computer Science 2021-06-15 Xiaoyu Bie , Laurent Girin , Simon Leglaive , Thomas Hueber , Xavier Alameda-Pineda

While most frontier models still use deterministic frequency-based tokenization algorithms such as byte-pair encoding (BPE), there has been significant recent work to design learned neural tokenizers. However, these schemes generally add to…

Machine Learning · Computer Science 2025-12-29 Theo Datta , Kayla Huang , Sham Kakade , David Brandfonbrener

Numerous explainability methods have been proposed to shed light on the inner workings of GNNs. Despite the inclusion of empirical evaluations in all the proposed algorithms, the interrogative aspects of these evaluations lack diversity. As…

Machine Learning · Computer Science 2024-03-15 Mert Kosan , Samidha Verma , Burouj Armgaan , Khushbu Pahwa , Ambuj Singh , Sourav Medya , Sayan Ranu

Traditional Variational Autoencoders (VAEs) are constrained by the limitations of the Evidence Lower Bound (ELBO) formulation, particularly when utilizing simplistic, non-analytic, or unknown prior distributions. These limitations inhibit…

Machine Learning · Computer Science 2024-07-10 Fotios Lygerakis , Elmar Rueckert

Among the wide variety of image generative models, two models stand out: Variational Auto Encoders (VAE) and Generative Adversarial Networks (GAN). GANs can produce realistic images, but they suffer from mode collapse and do not provide…

Computer Vision and Pattern Recognition · Computer Science 2020-12-22 Antoine Plumerault , Hervé Le Borgne , Céline Hudelot

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

Gene regulatory network (GRN) modeling is a well-established theoretical framework for the study of cell-fate specification during developmental processes. Recently, dynamical models of GRNs have been taken as a basis for formalizing the…

Molecular Networks · Quantitative Biology 2015-10-15 Jose Davila-Velderrain , Luis Juarez-Ramiro , Juan C. Martinez-Garcia , Elena R. Alvarez-Buylla

Electromagnetic (EM) body models designed to predict Radio-Frequency (RF) propagation are time-consuming methods which prevent their adoption in strict real-time computational imaging problems, such as human body localization and sensing.…

Signal Processing · Electrical Eng. & Systems 2024-05-16 Federica Fieramosca , Vittorio Rampa , Michele D'Amico , Stefano Savazzi

Deep generative models open new avenues for simulating realistic genomic data while preserving privacy and addressing data accessibility constraints. While previous studies have primarily focused on generating gene expression or haplotype…

Genomics · Quantitative Biology 2025-08-14 Sihan Xie , Thierry Tribout , Didier Boichard , Blaise Hanczar , Julien Chiquet , Eric Barrey