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Researcher profile

Emiel Hoogeboom

Emiel Hoogeboom contributes to research discovery and scholarly infrastructure.

ResearcherAffiliation not importedOpen to collaborate
Machine LearningComputer Visionphysics.chem-phQuantitative Methods

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Published work

8 published item(s)

preprint2026arXiv

Dual-Rate Diffusion: Accelerating diffusion models with an interleaved heavy-light network

Diffusion models achieve state-of-the-art generative performance but suffer from high computational costs during inference due to the repeated evaluation of a heavy neural network. In this work, we propose Dual-Rate Diffusion, a method to accelerate sampling by interleaving the execution of a heavy high-capacity context encoder and a light efficient denoising model. The context encoder is evaluated sparsely to extract high-dimensional features, which are effectively reused by the light denoising model at every step to refine the sample efficiently. This approach significantly accelerates inference without compromising sample quality. On ImageNet benchmarks, Dual-Rate Diffusion matches the performance of standard baselines while reducing computational cost by a factor of $2$-$4$. Furthermore, we demonstrate that our method is compatible with distillation techniques, such as Moment Matching Distillation, enabling further efficiency gains in few-step generation.

0 citations0 reviewsNo code linkedOpen access
preprint2022arXiv

Autoregressive Diffusion Models

We introduce Autoregressive Diffusion Models (ARDMs), a model class encompassing and generalizing order-agnostic autoregressive models (Uria et al., 2014) and absorbing discrete diffusion (Austin et al., 2021), which we show are special cases of ARDMs under mild assumptions. ARDMs are simple to implement and easy to train. Unlike standard ARMs, they do not require causal masking of model representations, and can be trained using an efficient objective similar to modern probabilistic diffusion models that scales favourably to highly-dimensional data. At test time, ARDMs support parallel generation which can be adapted to fit any given generation budget. We find that ARDMs require significantly fewer steps than discrete diffusion models to attain the same performance. Finally, we apply ARDMs to lossless compression, and show that they are uniquely suited to this task. Contrary to existing approaches based on bits-back coding, ARDMs obtain compelling results not only on complete datasets, but also on compressing single data points. Moreover, this can be done using a modest number of network calls for (de)compression due to the model's adaptable parallel generation.

0 citations0 reviewsNo code linkedOpen access
preprint2022arXiv

E(n) Equivariant Graph Neural Networks

This paper introduces a new model to learn graph neural networks equivariant to rotations, translations, reflections and permutations called E(n)-Equivariant Graph Neural Networks (EGNNs). In contrast with existing methods, our work does not require computationally expensive higher-order representations in intermediate layers while it still achieves competitive or better performance. In addition, whereas existing methods are limited to equivariance on 3 dimensional spaces, our model is easily scaled to higher-dimensional spaces. We demonstrate the effectiveness of our method on dynamical systems modelling, representation learning in graph autoencoders and predicting molecular properties.

0 citations0 reviewsNo code linkedOpen access
preprint2022arXiv

E(n) Equivariant Normalizing Flows

This paper introduces a generative model equivariant to Euclidean symmetries: E(n) Equivariant Normalizing Flows (E-NFs). To construct E-NFs, we take the discriminative E(n) graph neural networks and integrate them as a differential equation to obtain an invertible equivariant function: a continuous-time normalizing flow. We demonstrate that E-NFs considerably outperform baselines and existing methods from the literature on particle systems such as DW4 and LJ13, and on molecules from QM9 in terms of log-likelihood. To the best of our knowledge, this is the first flow that jointly generates molecule features and positions in 3D.

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preprint2022arXiv

Equivariant Diffusion for Molecule Generation in 3D

This work introduces a diffusion model for molecule generation in 3D that is equivariant to Euclidean transformations. Our E(3) Equivariant Diffusion Model (EDM) learns to denoise a diffusion process with an equivariant network that jointly operates on both continuous (atom coordinates) and categorical features (atom types). In addition, we provide a probabilistic analysis which admits likelihood computation of molecules using our model. Experimentally, the proposed method significantly outperforms previous 3D molecular generative methods regarding the quality of generated samples and efficiency at training time.

0 citations0 reviewsNo code linkedOpen access
preprint2021arXiv

Variational Determinant Estimation with Spherical Normalizing Flows

This paper introduces the Variational Determinant Estimator (VDE), a variational extension of the recently proposed determinant estimator discovered by arXiv:2005.06553v2. Our estimator significantly reduces the variance even for low sample sizes by combining (importance-weighted) variational inference and a family of normalizing flows which allow density estimation on hyperspheres. In the ideal case of a tight variational bound, the VDE becomes a zero variance estimator, and a single sample is sufficient for an exact (log) determinant estimate.

0 citations0 reviewsNo code linkedOpen access
preprint2020arXiv

Learning Discrete Distributions by Dequantization

Media is generally stored digitally and is therefore discrete. Many successful deep distribution models in deep learning learn a density, i.e., the distribution of a continuous random variable. Naïve optimization on discrete data leads to arbitrarily high likelihoods, and instead, it has become standard practice to add noise to datapoints. In this paper, we present a general framework for dequantization that captures existing methods as a special case. We derive two new dequantization objectives: importance-weighted (iw) dequantization and Rényi dequantization. In addition, we introduce autoregressive dequantization (ARD) for more flexible dequantization distributions. Empirically we find that iw and Rényi dequantization considerably improve performance for uniform dequantization distributions. ARD achieves a negative log-likelihood of 3.06 bits per dimension on CIFAR10, which to the best of our knowledge is state-of-the-art among distribution models that do not require autoregressive inverses for sampling.

0 citations0 reviewsNo code linkedOpen access
preprint2020arXiv

Predictive Sampling with Forecasting Autoregressive Models

Autoregressive models (ARMs) currently hold state-of-the-art performance in likelihood-based modeling of image and audio data. Generally, neural network based ARMs are designed to allow fast inference, but sampling from these models is impractically slow. In this paper, we introduce the predictive sampling algorithm: a procedure that exploits the fast inference property of ARMs in order to speed up sampling, while keeping the model intact. We propose two variations of predictive sampling, namely sampling with ARM fixed-point iteration and learned forecasting modules. Their effectiveness is demonstrated in two settings: i) explicit likelihood modeling on binary MNIST, SVHN and CIFAR10, and ii) discrete latent modeling in an autoencoder trained on SVHN, CIFAR10 and Imagenet32. Empirically, we show considerable improvements over baselines in number of ARM inference calls and sampling speed.

0 citations0 reviewsNo code linkedOpen access